A0A087Y2P2_POEFO Loading...

Ferroptosis suppressor protein 1

Putative FAD-dependent oxidoreductase.

AlphaFold DB , UniProt , Accession A0A087Y2P2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 372 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M32.5Very low64.4Low248 Ų248103.7 Ų103.7100%1.22266%0.658SS**  095.50-68.4175.4-164.700106.6
2G40.7Very low67.2Low74 Ų7497.8 Ų97.876%0.76362%0.616SS**PPolyproline II helixtrans-85.6124.3-176.600000109.4Q4G2-Q4 PolarHBondContact O-N 3.17Å; G2-Q4 VanDerWaalsContact O-N 3.17Å
3A45.5Very low69.6Low98 Ų9890.3 Ų90.381%0.8157%0.569SS**PPolyproline II helixtrans-59.3117.7168.500000108V5A3-V5 PolarHBondContact O-N 3.37Å
4Q55.6Low71.7Confident190 Ų19083.9 Ų83.989%0.88853%0.528SS*.PPolyproline II helixtrans-58.8121.1168.1-83.2178.1-30.900107.3G2 S6G2-Q4 PolarHBondContact O-N 3.17Å; G2-Q4 VanDerWaalsContact O-N 3.17Å; Q4-S6 PolarHBondContact O-N 3.2Å
5V62.9Low73.5Confident57 Ų5778.3 Ų78.335%0.34549%0.493SS..PPolyproline II helixtrans-66.2126.8173.1179.50000106.5A3 V7 I309A3-V5 PolarHBondContact O-N 3.37Å; V5-V7 PolarHBondContact O-N 3.28Å; V5-I309 HydrophobicContact CG1-CG2 4.24Å; V5-I309 HydrophobicContact CG2-CG2 4.11Å
6S70.8Confident75.1Confident109 Ų10973.8 Ų73.876%0.76247%0.465SS*.  trans-65.1102.3170.255.20000108.1Q4 P8Q4-S6 PolarHBondContact O-N 3.2Å; S6-P8 WeakPolarHBondContact O-CD 3.44Å
7V73.6Confident76.5Confident43 Ų4370.1 Ų70.126%0.26144%0.443SS..PPolyproline II helixtrans-73.7122.5176.8-176.70000107.7V5 V11 F34V5-V7 PolarHBondContact O-N 3.28Å; V7-V11 HydrophobicContact CG1-CB 4.12Å; V7-F34 HydrophobicContact CG1-CD1 3.8Å; V7-F34 HydrophobicContact CG1-CE1 3.77Å; V7-F34 HydrophobicContact CG1-CG 4.32Å; V7-F34 HydrophobicContact CG1-CZ 4.27Å; V7-F34 HydrophobicContact CG2-CD1 4.28Å; V7-F34 HydrophobicContact CG2-CD2 3.83Å; V7-F34 HydrophobicContact CG2-CE1 4.15Å; V7-F34 HydrophobicContact CG2-CE2 3.68Å; V7-F34 HydrophobicContact CG2-CG 4.13Å; V7-F34 HydrophobicContact CG2-CZ 3.86Å
8P75.2Confident77.6Confident58 Ų5866.2 Ų66.238%0.37742%0.419SS..PPolyproline II helixtrans-60.3145.6176.3-21.532.3000111.7S6 V11S6-P8 WeakPolarHBondContact O-CD 3.44Å; P8-V11 HydrophobicContact CB-CG2 4.04Å; P8-V11 HydrophobicContact CG-CG2 4.31Å; P8-V11 WeakPolarHBondContact O-CG2 3.33Å; P8-V11 PolarHBondContact O-N 2.98Å
9D75.1Confident78.7Confident171 Ų17164 Ų6491%0.91441%0.41SS*.THydrogen-bonded Turntrans-57.8139174-70.3-29.9000110.9
10G81.7Confident79.6Confident79 Ų7962.4 Ų62.481%0.81440%0.397SS*.THydrogen-bonded Turntrans84.42.2177.700000115.8H12G10-H12 PolarHBondContact O-N 2.75Å
11V94.9Very high80.5Confident14 Ų1459.7 Ų59.79%0.08538%0.381CS..  trans-78.2109.8172.11780000110.3V7 P8 V13 F34 L312V7-V11 HydrophobicContact CG1-CB 4.12Å; P8-V11 HydrophobicContact CB-CG2 4.04Å; P8-V11 HydrophobicContact CG-CG2 4.31Å; P8-V11 WeakPolarHBondContact O-CG2 3.33Å; P8-V11 PolarHBondContact O-N 2.98Å; V11-V13 HydrophobicContact CG1-CG2 4.43Å; V11-F34 HydrophobicContact CG1-CD1 3.9Å; V11-F34 HydrophobicContact CG1-CE1 3.96Å; V11-L312 HydrophobicContact CG1-CD1 3.72Å; V11-L312 HydrophobicContact CG2-CD1 4.04Å; V11-L312 HydrophobicContact CG2-CD2 3.77Å
12H97.8Very high83.7Confident33 Ų3347.9 Ų47.915%0.15332%0.323CS..EExtended strand (participates in β ladder)trans-117.1129.5169.6-170.675.8000110.7G10 D35 T37 Q100 S102 H103G10-H12 PolarHBondContact O-N 2.75Å; H12-D35 IonicContact CE1-OD1 2.61Å; H12-D35 IonicContact CE1-OD2 3.16Å; H12-D35 IonicContact CG-OD2 3.25Å; H12-D35 VanDerWaalsContact ND1-CG 3.26Å; H12-D35 IonicContact ND1-OD1 3.97Å; H12-D35 IonicContact ND1-OD2 2.93Å; H12-D35 PolarHBondContact ND1-OD2 3.21Å; H12-T37 PolarHBondContact CE1-OG1 2.86Å; H12-T37 PolarHBondContact NE2-OG1 3.06Å; H12-Q100 PolarHBondContact CD2-O 2.85Å; H12-Q100 VanDerWaalsContact CD2-O 3.24Å; H12-S102 PolarHBondContact N-OG 2.7Å; H12-S102 VanDerWaalsContact N-OG 3.14Å; H12-S102 PolarHBondContact O-N 3.12Å; H12-S102 PolarHBondContact O-OG 3.35Å; H12-H103 PolarHBondContact O-N 3.23Å
13V98.7Very high86.4Confident0 Ų044.4 Ų44.40%029%0.286CS..EExtended strand (participates in β ladder)trans-107122.6177.7-172.90000110.5V11 V15 L29 F34 D35 F36 T37 H103 I105 I308V11-V13 HydrophobicContact CG1-CG2 4.43Å; V13-V15 HydrophobicContact CG1-CG2 4.48Å; V13-L29 HydrophobicContact CB-CD1 4Å; V13-L29 HydrophobicContact CB-CD2 4.11Å; V13-L29 HydrophobicContact CG1-CD1 3.69Å; V13-L29 HydrophobicContact CG1-CD2 4.15Å; V13-L29 HydrophobicContact CG2-CD2 3.85Å; V13-F34 HydrophobicContact CG2-CD1 4.37Å; V13-D35 PolarHBondContact N-O 3.32Å; V13-F36 HydrophobicContact CB-CB 4.23Å; V13-F36 CarbonylContact O-C 3.55Å; V13-F36 WeakPolarHBondContact O-CA 3.33Å; V13-F36 WeakPolarHBondContact O-CB 3.36Å; V13-T37 PolarHBondContact O-N 3.44Å; V13-H103 WeakPolarHBondContact CA-O 3.48Å; V13-H103 HydrophobicContact CG1-CB 4.37Å; V13-H103 HydrophobicContact CG2-CB 4.28Å; V13-I105 HydrophobicContact CG1-CD1 4.12Å; V13-I105 HydrophobicContact CG1-CG1 4.16Å; V13-I308 HydrophobicContact CG1-CD1 4.21Å; V13-I308 HydrophobicContact CG2-CG2 4.4Å
14V98.9Very high88.9Confident0 Ų040 Ų400%025%0.25CC..EExtended strand (participates in β ladder)trans-98.3129.8172.6172.70000109.6V16 L39 V91 V99 H103 L104 I105V14-V16 HydrophobicContact CG1-CG2 3.99Å; V14-L39 HydrophobicContact CG1-CD1 3.58Å; V14-L39 HydrophobicContact CG1-CG 4.44Å; V14-V91 HydrophobicContact CG1-CG1 4.42Å; V14-V91 HydrophobicContact CG1-CG2 3.99Å; V14-V99 HydrophobicContact CG2-CG1 3.77Å; V14-H103 PolarHBondContact N-O 3.41Å; V14-L104 HydrophobicContact CB-CD1 4.03Å; V14-L104 HydrophobicContact CG1-CD1 3.88Å; V14-L104 WeakPolarHBondContact O-CA 3.32Å; V14-I105 PolarHBondContact O-N 3.02Å
15V98.9Very high91Very high0 Ų030.9 Ų30.90%021%0.208CC..EExtended strand (participates in β ladder)trans-112.3116.2175.1-175.10000108.5V13 A25 L29 T37 L38 L39 I105V13-V15 HydrophobicContact CG1-CG2 4.48Å; V15-A25 HydrophobicContact CG1-CB 4.33Å; V15-A25 HydrophobicContact CG2-CB 4.39Å; V15-L29 HydrophobicContact CG2-CD1 3.73Å; V15-T37 PolarHBondContact N-O 3.45Å; V15-L38 HydrophobicContact CB-CD1 3.9Å; V15-L38 HydrophobicContact CG1-CD1 3.72Å; V15-L39 PolarHBondContact O-N 3.32Å; V15-I105 WeakPolarHBondContact CA-O 3.35Å; V15-I105 HydrophobicContact CG1-CB 4.49Å; V15-I105 HydrophobicContact CG2-CB 4.36Å; V15-I105 HydrophobicContact CG2-CD1 4.27Å
16V98.8Very high92.7Very high7 Ų728.2 Ų28.24%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-101.8111.3-178.6-178.60000110.4V14 L39 V81 V91 L104 I105 L106 C107 T108V14-V16 HydrophobicContact CG1-CG2 3.99Å; V16-L39 HydrophobicContact CG2-CD1 4.28Å; V16-V81 HydrophobicContact CG1-CB 3.88Å; V16-V81 HydrophobicContact CG1-CG1 4.24Å; V16-V81 HydrophobicContact CG1-CG2 3.73Å; V16-V81 HydrophobicContact CG2-CG2 4.25Å; V16-V91 HydrophobicContact CG2-CG1 4.21Å; V16-L104 HydrophobicContact CG2-CD1 3.75Å; V16-I105 PolarHBondContact N-O 3.42Å; V16-L106 HydrophobicContact CB-CD2 4.02Å; V16-L106 HydrophobicContact CG2-CD2 4.14Å; V16-C107 CarbonylContact O-C 3.44Å; V16-C107 WeakPolarHBondContact O-CA 3.39Å; V16-C107 WeakPolarHBondContact O-CB 3.37Å; V16-C107 PolarHBondContact O-N 3.2Å; V16-T108 HydrophobicContact CG1-CG2 3.98Å; V16-T108 PolarHBondContact O-N 2.9Å
17G98.3Very high94Very high10 Ų1023.9 Ų23.910%0.10316%0.159CC..  trans101.1118.4-176.900000111.3G22 L39 C107G17-G22 WeakPolarHBondContact O-CA 3.29Å; G17-L39 WeakPolarHBondContact CA-O 3.26Å; G17-L39 PolarHBondContact N-O 3.37Å; G17-C107 WeakPolarHBondContact O-CB 3.48Å
18G97.4Very high95.1Very high0 Ų024 Ų240%016%0.156CC..  trans-93.225.1179.800000114.5I23 D40 F45 Y68G18-I23 WeakPolarHBondContact O-CG2 3.29Å; G18-D40 WeakPolarHBondContact CA-OD2 3.34Å; G18-D40 PolarHBondContact N-OD2 3.24Å; G18-F45 VanDerWaalsContact O-CD2 3.31Å; G18-F45 WeakPolarHBondContact O-CD2 3.37Å; G18-Y68 VanDerWaalsContact C-OH 3.23Å; G18-Y68 WeakPolarHBondContact CA-OH 3.45Å; G18-Y68 PolarHBondContact O-OH 2.89Å
19G97.4Very high96.2Very high25 Ų2521.2 Ų21.226%0.25814%0.138SC..SBendtrans-68.8-168.1169.300000113G21 G22 I23G19-G21 VanDerWaalsContact C-N 3.3Å; G19-G21 PolarHBondContact O-N 3.09Å; G19-G22 WeakPolarHBondContact O-CA 3.48Å; G19-G22 PolarHBondContact O-N 3.31Å; G19-I23 PolarHBondContact O-N 2.9Å
20F98.1Very high97.2Very high32 Ų3216.6 Ų16.614%0.1411%0.108CC..Hα-helixtrans-51.1-43-178.7-77.8-79.4000114.5I23 A24 F45 H47 N48 V49 A294 A297F20-I23 WeakPolarHBondContact O-CG1 3.2Å; F20-A24 VanDerWaalsContact O-CB 3.24Å; F20-A24 WeakPolarHBondContact O-CB 3.34Å; F20-A24 PolarHBondContact O-N 3.39Å; F20-F45 HydrophobicContact CD1-CE2 4.43Å; F20-F45 AromaticContact CD1-CZ 3.95Å; F20-F45 HydrophobicContact CD1-CZ 3.95Å; F20-F45 HydrophobicContact CD2-CE2 4.39Å; F20-F45 HydrophobicContact CD2-CZ 4.35Å; F20-F45 AromaticContact CE1-CZ 3.76Å; F20-F45 HydrophobicContact CE1-CZ 3.76Å; F20-F45 HydrophobicContact CE2-CZ 4.16Å; F20-F45 HydrophobicContact CG-CE2 4.34Å; F20-F45 HydrophobicContact CG-CZ 4.25Å; F20-F45 AromaticContact CZ-CZ 3.87Å; F20-F45 HydrophobicContact CZ-CZ 3.87Å; F20-H47 AromaticContact CE1-CE1 3.9Å; F20-H47 AromaticContact CE1-ND1 3.74Å; F20-H47 AromaticContact CZ-CE1 3.69Å; F20-H47 AromaticContact CZ-ND1 3.53Å; F20-N48 VanDerWaalsContact CE2-OD1 3.24Å; F20-N48 WeakPolarHBondContact CE2-OD1 3.32Å; F20-V49 HydrophobicContact CE2-CG2 3.73Å; F20-V49 HydrophobicContact CZ-CB 4.22Å; F20-V49 HydrophobicContact CZ-CG2 3.64Å; F20-A294 HydrophobicContact CB-CB 4.18Å; F20-A294 HydrophobicContact CD1-CB 3.83Å; F20-A294 HydrophobicContact CD2-CB 3.36Å; F20-A294 HydrophobicContact CE1-CB 3.96Å; F20-A294 HydrophobicContact CE2-CB 3.52Å; F20-A294 HydrophobicContact CG-CB 3.52Å; F20-A294 HydrophobicContact CZ-CB 3.82Å; F20-A297 HydrophobicContact CB-CB 4.22Å
21G98.3Very high97.9Very high6 Ų617.6 Ų17.66%0.06210%0.103CC..Hα-helixtrans-70-37.3176.300000113.1G19 A25 A297 A301G19-G21 VanDerWaalsContact C-N 3.3Å; G19-G21 PolarHBondContact O-N 3.09Å; G21-A25 WeakPolarHBondContact O-CB 3.29Å; G21-A25 PolarHBondContact O-N 3.15Å; G21-A297 WeakPolarHBondContact CA-O 3.34Å; G21-A301 VanDerWaalsContact O-CB 3.26Å; G21-A301 WeakPolarHBondContact O-CB 3.17Å
22G98.4Very high97.8Very high0 Ų018.1 Ų18.10%011%0.109CC..Hα-helixtrans-65.5-51.1179.100000113.2G17 G19 A24 A25 A26G17-G22 WeakPolarHBondContact O-CA 3.29Å; G19-G22 WeakPolarHBondContact O-CA 3.48Å; G19-G22 PolarHBondContact O-N 3.31Å; G22-A24 VanDerWaalsContact C-N 3.3Å; G22-A24 PolarHBondContact O-N 2.77Å; G22-A25 PolarHBondContact O-N 3.4Å; G22-A26 WeakPolarHBondContact O-CB 3.29Å; G22-A26 PolarHBondContact O-N 3.37Å
23I98.4Very high97.6Very high0 Ų019.2 Ų19.20%013%0.129CC..Hα-helixtrans-63.2-38.8177.466.3174.5000111.2G18 G19 F20 A25 A26 Q27 F45 Y68 F72 M367G18-I23 WeakPolarHBondContact O-CG2 3.29Å; G19-I23 PolarHBondContact O-N 2.9Å; F20-I23 WeakPolarHBondContact O-CG1 3.2Å; I23-A25 PolarHBondContact O-N 2.75Å; I23-A26 PolarHBondContact O-N 3.19Å; I23-Q27 WeakPolarHBondContact O-CB 3.38Å; I23-Q27 VanDerWaalsContact O-CG 3.23Å; I23-Q27 WeakPolarHBondContact O-CG 3.47Å; I23-Q27 PolarHBondContact O-N 3.43Å; I23-F45 HydrophobicContact CD1-CD1 4.12Å; I23-F45 HydrophobicContact CD1-CD2 3.96Å; I23-F45 HydrophobicContact CD1-CE1 3.97Å; I23-F45 HydrophobicContact CD1-CE2 3.8Å; I23-F45 HydrophobicContact CD1-CG 4.1Å; I23-F45 HydrophobicContact CD1-CZ 3.8Å; I23-F45 HydrophobicContact CG2-CB 4.26Å; I23-F45 HydrophobicContact CG2-CD2 4.01Å; I23-F45 HydrophobicContact CG2-CG 4.21Å; I23-Y68 HydrophobicContact CG2-CE1 3.89Å; I23-F72 HydrophobicContact CG2-CE2 4.44Å; I23-M367 HydrophobicContact CB-SD 4.07Å; I23-M367 HydrophobicContact CD1-SD 4.38Å; I23-M367 HydrophobicContact CG2-SD 3.9Å
24A98.5Very high97.5Very high5 Ų519.7 Ų19.74%0.04113%0.131CC..Hα-helixtrans-65.7-39177.800000111.7F20 G22 Q28 A301 E366F20-A24 VanDerWaalsContact O-CB 3.24Å; F20-A24 WeakPolarHBondContact O-CB 3.34Å; F20-A24 PolarHBondContact O-N 3.39Å; G22-A24 VanDerWaalsContact C-N 3.3Å; G22-A24 PolarHBondContact O-N 2.77Å; A24-Q28 VanDerWaalsContact O-CG 3.26Å; A24-Q28 WeakPolarHBondContact O-CG 3.41Å; A24-Q28 PolarHBondContact O-N 3.25Å; A24-Q28 PolarHBondContact O-NE2 3Å; A24-Q28 VanDerWaalsContact O-NE2 3.15Å; A24-A301 HydrophobicContact CB-CB 3.77Å; A24-E366 WeakPolarHBondContact CA-OE1 3.49Å
25A98.7Very high97.4Very high0 Ų024.1 Ų24.10%016%0.155CC..Hα-helixtrans-67.1-49175.300000111.2V15 G21 G22 I23 Q27 Q28 L29 I105 A301 V305V15-A25 HydrophobicContact CG1-CB 4.33Å; V15-A25 HydrophobicContact CG2-CB 4.39Å; G21-A25 WeakPolarHBondContact O-CB 3.29Å; G21-A25 PolarHBondContact O-N 3.15Å; G22-A25 PolarHBondContact O-N 3.4Å; I23-A25 PolarHBondContact O-N 2.75Å; A25-Q27 VanDerWaalsContact C-N 3.34Å; A25-Q27 PolarHBondContact O-N 2.9Å; A25-Q28 PolarHBondContact O-N 2.95Å; A25-Q28 VanDerWaalsContact O-N 3.17Å; A25-L29 WeakPolarHBondContact O-CG 3.41Å; A25-L29 PolarHBondContact O-N 3.44Å; A25-I105 HydrophobicContact CB-CD1 4Å; A25-A301 HydrophobicContact CB-CB 4.04Å; A25-V305 HydrophobicContact CB-CG2 3.99Å
26A98.6Very high97.3Very high0 Ų024.4 Ų24.40%016%0.156CC..Hα-helixtrans-59.2-42.5178.600000112.2G22 I23 Q28 L29 R30 F36 L38 F72G22-A26 WeakPolarHBondContact O-CB 3.29Å; G22-A26 PolarHBondContact O-N 3.37Å; I23-A26 PolarHBondContact O-N 3.19Å; A26-Q28 VanDerWaalsContact C-N 3.34Å; A26-Q28 PolarHBondContact O-N 3.13Å; A26-L29 PolarHBondContact O-N 3.4Å; A26-R30 VanDerWaalsContact O-CB 3.29Å; A26-R30 WeakPolarHBondContact O-CB 3.39Å; A26-R30 PolarHBondContact O-N 2.75Å; A26-F36 HydrophobicContact CB-CD2 4.28Å; A26-F36 HydrophobicContact CB-CE2 3.69Å; A26-F36 HydrophobicContact CB-CZ 4.28Å; A26-L38 HydrophobicContact CB-CD2 4.28Å; A26-F72 HydrophobicContact CB-CD1 4.21Å; A26-F72 HydrophobicContact CB-CE1 3.56Å; A26-F72 HydrophobicContact CB-CE2 4.48Å; A26-F72 HydrophobicContact CB-CZ 3.71Å
27Q98.1Very high97.3Very high18 Ų1825 Ų258%0.08416%0.16CC..Hα-helixtrans-60.6-41.9175.3-78.4-61.6-2400112.8I23 A25 R30 S31 F72 E366I23-Q27 WeakPolarHBondContact O-CB 3.38Å; I23-Q27 VanDerWaalsContact O-CG 3.23Å; I23-Q27 WeakPolarHBondContact O-CG 3.47Å; I23-Q27 PolarHBondContact O-N 3.43Å; A25-Q27 VanDerWaalsContact C-N 3.34Å; A25-Q27 PolarHBondContact O-N 2.9Å; Q27-R30 VanDerWaalsContact CD-NH2 3.25Å; Q27-S31 WeakPolarHBondContact O-CB 3.49Å; Q27-S31 PolarHBondContact O-N 3.5Å; Q27-S31 PolarHBondContact O-OG 3.36Å; Q27-F72 HydrophobicContact CG-CE1 4.38Å; Q27-F72 HydrophobicContact CG-CZ 4.36Å; Q27-E366 HydrophobicContact CG-CG 4.12Å; Q27-E366 PolarHBondContact NE2-O 2.9Å
28Q97.7Very high97.4Very high45 Ų4524.6 Ų24.621%0.2116%0.155CC..Hα-helixtrans-71.4-42.5179.2-72.21786500112.4A24 A25 A26 R30 S31 A32 Y302 V305A24-Q28 VanDerWaalsContact O-CG 3.26Å; A24-Q28 WeakPolarHBondContact O-CG 3.41Å; A24-Q28 PolarHBondContact O-N 3.25Å; A24-Q28 PolarHBondContact O-NE2 3Å; A24-Q28 VanDerWaalsContact O-NE2 3.15Å; A25-Q28 PolarHBondContact O-N 2.95Å; A25-Q28 VanDerWaalsContact O-N 3.17Å; A26-Q28 VanDerWaalsContact C-N 3.34Å; A26-Q28 PolarHBondContact O-N 3.13Å; Q28-R30 VanDerWaalsContact C-N 3.35Å; Q28-R30 PolarHBondContact O-N 3.07Å; Q28-S31 PolarHBondContact O-N 3.44Å; Q28-A32 VanDerWaalsContact O-CB 3.32Å; Q28-A32 WeakPolarHBondContact O-CB 3.31Å; Q28-A32 PolarHBondContact O-N 3.42Å; Q28-Y302 VanDerWaalsContact NE2-CA 3.33Å; Q28-Y302 VanDerWaalsContact OE1-CA 3.27Å; Q28-V305 HydrophobicContact CB-CB 4.26Å; Q28-V305 HydrophobicContact CB-CG1 3.9Å; Q28-V305 HydrophobicContact CB-CG2 4.31Å
29L97.8Very high97.4Very high0 Ų024.6 Ų24.60%016%0.155CC..Hα-helixtrans-58.3-48.4174.4-71.1165.3000110.8V13 V15 A25 A26 S31 A32 G33 F34 F36 I105 V305V13-L29 HydrophobicContact CB-CD1 4Å; V13-L29 HydrophobicContact CB-CD2 4.11Å; V13-L29 HydrophobicContact CG1-CD1 3.69Å; V13-L29 HydrophobicContact CG1-CD2 4.15Å; V13-L29 HydrophobicContact CG2-CD2 3.85Å; V15-L29 HydrophobicContact CG2-CD1 3.73Å; A25-L29 WeakPolarHBondContact O-CG 3.41Å; A25-L29 PolarHBondContact O-N 3.44Å; A26-L29 PolarHBondContact O-N 3.4Å; L29-S31 PolarHBondContact O-N 2.74Å; L29-A32 CarbonylContact O-C 3.53Å; L29-A32 PolarHBondContact O-N 2.88Å; L29-G33 PolarHBondContact O-N 3.06Å; L29-G33 VanDerWaalsContact O-N 3.07Å; L29-F34 HydrophobicContact CB-CB 4.25Å; L29-F34 HydrophobicContact CD2-CB 3.95Å; L29-F34 HydrophobicContact CD2-CG 4.15Å; L29-F34 PolarHBondContact O-N 2.94Å; L29-F36 HydrophobicContact CB-CB 4.36Å; L29-F36 HydrophobicContact CB-CD1 3.94Å; L29-F36 HydrophobicContact CB-CG 4.15Å; L29-F36 HydrophobicContact CD1-CB 3.97Å; L29-F36 HydrophobicContact CD1-CG 4.27Å; L29-I105 HydrophobicContact CD1-CD1 4.39Å; L29-V305 HydrophobicContact CD2-CG1 3.94Å; L29-V305 HydrophobicContact CD2-CG2 4.32Å; L29-V305 HydrophobicContact CG-CG1 4.17Å; L29-V305 HydrophobicContact CG-CG2 4.04Å
30R96.2Very high97.5Very high74 Ų7423.9 Ų23.928%0.27915%0.145SC..Hα-helixtrans-57.6-46.9174.8-173.7171.665.9149.910.6112.2A26 Q27 Q28 A32 G33 F36 T71A26-R30 VanDerWaalsContact O-CB 3.29Å; A26-R30 WeakPolarHBondContact O-CB 3.39Å; A26-R30 PolarHBondContact O-N 2.75Å; Q27-R30 VanDerWaalsContact CD-NH2 3.25Å; Q28-R30 VanDerWaalsContact C-N 3.35Å; Q28-R30 PolarHBondContact O-N 3.07Å; R30-A32 VanDerWaalsContact C-N 3.25Å; R30-A32 PolarHBondContact O-N 3.22Å; R30-G33 PolarHBondContact O-N 3.03Å; R30-G33 VanDerWaalsContact O-N 3.13Å; R30-F36 HydrophobicContact CB-CE1 3.76Å; R30-F36 HydrophobicContact CB-CZ 4.15Å; R30-F36 HydrophobicContact CG-CE1 4.44Å; R30-T71 PolarHBondContact NH1-O 3.26Å
31S95.1Very high97.4Very high100 Ų10023.8 Ų23.870%0.69915%0.146SC*.Hα-helixtrans-65.4-30.2179.7-59.60000112.7Q27 Q28 L29 G33Q27-S31 WeakPolarHBondContact O-CB 3.49Å; Q27-S31 PolarHBondContact O-N 3.5Å; Q27-S31 PolarHBondContact O-OG 3.36Å; Q28-S31 PolarHBondContact O-N 3.44Å; L29-S31 PolarHBondContact O-N 2.74Å; S31-G33 VanDerWaalsContact C-N 3.34Å
32A94.1Very high97.3Very high25 Ų2524.5 Ų24.521%0.20715%0.147CC..Hα-helixtrans-85.7-3.6176.700000113.5Q28 L29 R30 F34 I309Q28-A32 VanDerWaalsContact O-CB 3.32Å; Q28-A32 WeakPolarHBondContact O-CB 3.31Å; Q28-A32 PolarHBondContact O-N 3.42Å; L29-A32 CarbonylContact O-C 3.53Å; L29-A32 PolarHBondContact O-N 2.88Å; R30-A32 VanDerWaalsContact C-N 3.25Å; R30-A32 PolarHBondContact O-N 3.22Å; A32-F34 HydrophobicContact CB-CD2 3.61Å; A32-F34 HydrophobicContact CB-CE2 3.86Å; A32-I309 HydrophobicContact CB-CD1 3.94Å
33G94.1Very high97.2Very high56 Ų5626.6 Ų26.658%0.57716%0.158SC*.THydrogen-bonded Turntrans77.722.7178.100000114.7L29 R30 S31L29-G33 PolarHBondContact O-N 3.06Å; L29-G33 VanDerWaalsContact O-N 3.07Å; R30-G33 PolarHBondContact O-N 3.03Å; R30-G33 VanDerWaalsContact O-N 3.13Å; S31-G33 VanDerWaalsContact C-N 3.34Å
34F95.3Very high97.2Very high10 Ų1026.6 Ų26.64%0.04416%0.158CC..  trans-81.6146.1177.4-79.5-102.5000111.7V7 V11 V13 L29 A32 F36 I309 L312V7-F34 HydrophobicContact CG1-CD1 3.8Å; V7-F34 HydrophobicContact CG1-CE1 3.77Å; V7-F34 HydrophobicContact CG1-CG 4.32Å; V7-F34 HydrophobicContact CG1-CZ 4.27Å; V7-F34 HydrophobicContact CG2-CD1 4.28Å; V7-F34 HydrophobicContact CG2-CD2 3.83Å; V7-F34 HydrophobicContact CG2-CE1 4.15Å; V7-F34 HydrophobicContact CG2-CE2 3.68Å; V7-F34 HydrophobicContact CG2-CG 4.13Å; V7-F34 HydrophobicContact CG2-CZ 3.86Å; V11-F34 HydrophobicContact CG1-CD1 3.9Å; V11-F34 HydrophobicContact CG1-CE1 3.96Å; V13-F34 HydrophobicContact CG2-CD1 4.37Å; L29-F34 HydrophobicContact CB-CB 4.25Å; L29-F34 HydrophobicContact CD2-CB 3.95Å; L29-F34 HydrophobicContact CD2-CG 4.15Å; L29-F34 PolarHBondContact O-N 2.94Å; A32-F34 HydrophobicContact CB-CD2 3.61Å; A32-F34 HydrophobicContact CB-CE2 3.86Å; F34-F36 WeakPolarHBondContact O-CD1 3.48Å; F34-I309 HydrophobicContact CE2-CD1 4.12Å; F34-I309 HydrophobicContact CE2-CG1 3.63Å; F34-I309 HydrophobicContact CZ-CG1 3.71Å; F34-L312 HydrophobicContact CE1-CD1 3.51Å; F34-L312 HydrophobicContact CZ-CD1 4.11Å
35D96.5Very high97.2Very high94 Ų9426.4 Ų26.450%0.50316%0.156SC..EExtended strand (participates in β ladder)trans-76.3130.4164.6-177.530.5000110H12 V13H12-D35 IonicContact CE1-OD1 2.61Å; H12-D35 IonicContact CE1-OD2 3.16Å; H12-D35 IonicContact CG-OD2 3.25Å; H12-D35 VanDerWaalsContact ND1-CG 3.26Å; H12-D35 IonicContact ND1-OD1 3.97Å; H12-D35 IonicContact ND1-OD2 2.93Å; H12-D35 PolarHBondContact ND1-OD2 3.21Å; V13-D35 PolarHBondContact N-O 3.32Å
36F98.4Very high97.1Very high5 Ų526.7 Ų26.72%0.02216%0.158CC..EExtended strand (participates in β ladder)trans-151.9155.7-176.474.3-83.9000112.9V13 A26 L29 R30 F34 L38 F72 S75V13-F36 HydrophobicContact CB-CB 4.23Å; V13-F36 CarbonylContact O-C 3.55Å; V13-F36 WeakPolarHBondContact O-CA 3.33Å; V13-F36 WeakPolarHBondContact O-CB 3.36Å; A26-F36 HydrophobicContact CB-CD2 4.28Å; A26-F36 HydrophobicContact CB-CE2 3.69Å; A26-F36 HydrophobicContact CB-CZ 4.28Å; L29-F36 HydrophobicContact CB-CB 4.36Å; L29-F36 HydrophobicContact CB-CD1 3.94Å; L29-F36 HydrophobicContact CB-CG 4.15Å; L29-F36 HydrophobicContact CD1-CB 3.97Å; L29-F36 HydrophobicContact CD1-CG 4.27Å; R30-F36 HydrophobicContact CB-CE1 3.76Å; R30-F36 HydrophobicContact CB-CZ 4.15Å; R30-F36 HydrophobicContact CG-CE1 4.44Å; F34-F36 WeakPolarHBondContact O-CD1 3.48Å; F36-L38 HydrophobicContact CE2-CB 4.36Å; F36-F72 HydrophobicContact CE2-CD1 4.21Å; F36-F72 AromaticContact CZ-CD1 3.95Å; F36-F72 HydrophobicContact CZ-CD1 3.95Å; F36-S75 WeakPolarHBondContact O-CB 3.15Å
37T98.8Very high97.1Very high21 Ų2126.8 Ų26.813%0.12916%0.158CC..EExtended strand (participates in β ladder)trans-120.4120.7167.3-56.30000109.8H12 V13 V15 L39 S75 L77H12-T37 PolarHBondContact CE1-OG1 2.86Å; H12-T37 PolarHBondContact NE2-OG1 3.06Å; V13-T37 PolarHBondContact O-N 3.44Å; V15-T37 PolarHBondContact N-O 3.45Å; T37-L39 HydrophobicContact CG2-CD2 4.03Å; T37-L39 HydrophobicContact CG2-CG 4.08Å; T37-S75 CarbonylContact C-O 3.5Å; T37-S75 WeakPolarHBondContact CA-O 3.45Å; T37-L77 HydrophobicContact CG2-CB 3.88Å
38L98.9Very high97Very high0 Ų028.2 Ų28.20%017%0.167CC..EExtended strand (participates in β ladder)trans-89.4122.3166.5178.464.4000109.6V15 A26 F36 Y68 F72 S75 F76 L77V15-L38 HydrophobicContact CB-CD1 3.9Å; V15-L38 HydrophobicContact CG1-CD1 3.72Å; A26-L38 HydrophobicContact CB-CD2 4.28Å; F36-L38 HydrophobicContact CE2-CB 4.36Å; L38-Y68 HydrophobicContact CD2-CD1 3.93Å; L38-Y68 HydrophobicContact CD2-CE1 4.15Å; L38-F72 HydrophobicContact CD2-CD2 3.66Å; L38-F72 HydrophobicContact CD2-CE2 3.6Å; L38-F72 HydrophobicContact CD2-CG 4.42Å; L38-F72 HydrophobicContact CD2-CZ 4.31Å; L38-S75 PolarHBondContact N-O 3.11Å; L38-F76 HydrophobicContact CD2-CD2 4.43Å; L38-F76 HydrophobicContact CG-CD2 4.34Å; L38-F76 WeakPolarHBondContact O-CD2 3.26Å; L38-L77 PolarHBondContact O-N 2.73Å
39L98.7Very high96.9Very high1 Ų127.8 Ų27.81%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-109.5126.2177.5-65.3167.2000109.9V14 V15 V16 G17 T37 L77 V81 V91 L93V14-L39 HydrophobicContact CG1-CD1 3.58Å; V14-L39 HydrophobicContact CG1-CG 4.44Å; V15-L39 PolarHBondContact O-N 3.32Å; V16-L39 HydrophobicContact CG2-CD1 4.28Å; G17-L39 WeakPolarHBondContact CA-O 3.26Å; G17-L39 PolarHBondContact N-O 3.37Å; T37-L39 HydrophobicContact CG2-CD2 4.03Å; T37-L39 HydrophobicContact CG2-CG 4.08Å; L39-L77 WeakPolarHBondContact CA-O 3.48Å; L39-L77 HydrophobicContact CD2-CB 3.74Å; L39-L77 HydrophobicContact CD2-CD2 3.7Å; L39-L77 HydrophobicContact CD2-CG 3.66Å; L39-L77 WeakPolarHBondContact CD2-O 3.42Å; L39-V81 HydrophobicContact CB-CG2 4.04Å; L39-V81 HydrophobicContact CD1-CG2 3.77Å; L39-V81 HydrophobicContact CG-CG2 4.45Å; L39-V91 HydrophobicContact CD1-CG2 3.56Å; L39-L93 HydrophobicContact CD1-CD1 4.1Å; L39-L93 HydrophobicContact CD2-CD1 4.04Å; L39-L93 HydrophobicContact CD2-CD2 4.01Å; L39-L93 HydrophobicContact CD2-CG 4.41Å
40D98.1Very high96.9Very high9 Ų927.8 Ų27.85%0.04817%0.167CC..EExtended strand (participates in β ladder)trans-144.2151.5166.7-163.3-86000109.2G18 R42 Y68 F76 Q78 G79G18-D40 WeakPolarHBondContact CA-OD2 3.34Å; G18-D40 PolarHBondContact N-OD2 3.24Å; D40-R42 VanDerWaalsContact C-N 3.26Å; D40-R42 PolarHBondContact O-N 3.49Å; D40-R42 WeakPolarHBondContact OD1-CB 3.32Å; D40-R42 IonicContact OD1-CZ 3.21Å; D40-R42 PolarHBondContact OD1-N 2.99Å; D40-R42 IonicContact OD1-NE 2.78Å; D40-R42 PolarHBondContact OD1-NE 3.47Å; D40-R42 VanDerWaalsContact OD1-NE 3.09Å; D40-R42 IonicContact OD1-NH2 3.47Å; D40-R42 PolarHBondContact OD1-NH2 2.96Å; D40-R42 IonicContact OD2-NH2 3.33Å; D40-R42 PolarHBondContact OD2-NH2 3.33Å; D40-Y68 HydrophobicContact CB-CE2 3.76Å; D40-F76 HydrophobicContact CB-CE2 4.35Å; D40-Q78 CarbonylContact O-C 3.53Å; D40-Q78 WeakPolarHBondContact O-CA 3.33Å; D40-G79 CarbonylContact C-O 3.54Å; D40-G79 PolarHBondContact O-N 3.15Å
41L95.8Very high97Very high30 Ų3024.3 Ų24.316%0.15715%0.154CC..SBendtrans-71.2-24.5177.365.994.7000112.2Q78 R80 T120 E121L41-Q78 PolarHBondContact O-NE2 3Å; L41-R80 HydrophobicContact CB-CB 4.41Å; L41-T120 WeakPolarHBondContact CD1-O 3.36Å; L41-E121 HydrophobicContact CD1-CB 4.32Å
42R96.4Very high97.1Very high21 Ų2120.1 Ų20.18%0.07912%0.124CC..SBendtrans-92.2157173.8-62.7161.7-65.8-148.70.2110.5D40 S44 Y68 F76 F118 N119D40-R42 VanDerWaalsContact C-N 3.26Å; D40-R42 PolarHBondContact O-N 3.49Å; D40-R42 WeakPolarHBondContact OD1-CB 3.32Å; D40-R42 IonicContact OD1-CZ 3.21Å; D40-R42 PolarHBondContact OD1-N 2.99Å; D40-R42 IonicContact OD1-NE 2.78Å; D40-R42 PolarHBondContact OD1-NE 3.47Å; D40-R42 VanDerWaalsContact OD1-NE 3.09Å; D40-R42 IonicContact OD1-NH2 3.47Å; D40-R42 PolarHBondContact OD1-NH2 2.96Å; D40-R42 IonicContact OD2-NH2 3.33Å; D40-R42 PolarHBondContact OD2-NH2 3.33Å; R42-S44 VanDerWaalsContact C-N 3.26Å; R42-Y68 WeakPolarHBondContact O-CE2 3.49Å; R42-F76 WeakPolarHBondContact O-CZ 3.48Å; R42-F118 PolarHBondContact NH1-O 2.99Å; R42-N119 PolarHBondContact NH1-OD1 3.24Å
43D97.3Very high97.4Very high44 Ų4419.1 Ų19.124%0.23512%0.115CC..SBendtrans-79.7-6.8171.663.72.7000113.7Y68 S123 L124D43-Y68 VanDerWaalsContact O-CD2 3.31Å; D43-Y68 WeakPolarHBondContact O-CD2 3.45Å; D43-Y68 PolarHBondContact O-N 2.92Å; D43-S123 VanDerWaalsContact OD2-CA 3.24Å; D43-S123 WeakPolarHBondContact OD2-CA 3.07Å; D43-S123 WeakPolarHBondContact OD2-CB 3.36Å; D43-L124 VanDerWaalsContact CG-N 3.3Å; D43-L124 PolarHBondContact OD1-N 2.94Å; D43-L124 PolarHBondContact OD2-N 3.29Å
44S97.8Very high97.6Very high1 Ų116.5 Ų16.51%0.0079%0.087CC..EExtended strand (participates in β ladder)trans-143.2147.3-171.349.90000112.8R42 H46 I66 Y68R42-S44 VanDerWaalsContact C-N 3.26Å; S44-H46 PolarHBondContact O-N 2.88Å; S44-I66 CarbonylContact C-O 3.51Å; S44-I66 WeakPolarHBondContact CA-O 3.35Å; S44-I66 WeakPolarHBondContact CB-O 3.35Å; S44-Y68 VanDerWaalsContact N-CD2 3.32Å; S44-Y68 WeakPolarHBondContact O-CE2 3.45Å; S44-Y68 PolarHBondContact O-OH 2.95Å
45F98Very high97.7Very high0 Ų016 Ų160%09%0.085CC..EExtended strand (participates in β ladder)trans-68.3123.5167168.4-113.4000108.8G18 F20 I23 H47 F65 I66 Y68 S363 M367G18-F45 VanDerWaalsContact O-CD2 3.31Å; G18-F45 WeakPolarHBondContact O-CD2 3.37Å; F20-F45 HydrophobicContact CD1-CE2 4.43Å; F20-F45 AromaticContact CD1-CZ 3.95Å; F20-F45 HydrophobicContact CD1-CZ 3.95Å; F20-F45 HydrophobicContact CD2-CE2 4.39Å; F20-F45 HydrophobicContact CD2-CZ 4.35Å; F20-F45 AromaticContact CE1-CZ 3.76Å; F20-F45 HydrophobicContact CE1-CZ 3.76Å; F20-F45 HydrophobicContact CE2-CZ 4.16Å; F20-F45 HydrophobicContact CG-CE2 4.34Å; F20-F45 HydrophobicContact CG-CZ 4.25Å; F20-F45 AromaticContact CZ-CZ 3.87Å; F20-F45 HydrophobicContact CZ-CZ 3.87Å; I23-F45 HydrophobicContact CD1-CD1 4.12Å; I23-F45 HydrophobicContact CD1-CD2 3.96Å; I23-F45 HydrophobicContact CD1-CE1 3.97Å; I23-F45 HydrophobicContact CD1-CE2 3.8Å; I23-F45 HydrophobicContact CD1-CG 4.1Å; I23-F45 HydrophobicContact CD1-CZ 3.8Å; I23-F45 HydrophobicContact CG2-CB 4.26Å; I23-F45 HydrophobicContact CG2-CD2 4.01Å; I23-F45 HydrophobicContact CG2-CG 4.21Å; F45-H47 HydrophobicContact CD1-CB 4.42Å; F45-H47 HydrophobicContact CE1-CB 3.63Å; F45-H47 AromaticContact CE1-ND1 3.92Å; F45-H47 HydrophobicContact CZ-CB 4.08Å; F45-F65 CarbonylContact O-C 3.6Å; F45-F65 VanDerWaalsContact O-CA 3.3Å; F45-F65 WeakPolarHBondContact O-CA 3.25Å; F45-I66 HydrophobicContact CB-CB 4.33Å; F45-I66 HydrophobicContact CD1-CB 4.3Å; F45-I66 HydrophobicContact CD1-CD1 3.94Å; F45-I66 HydrophobicContact CD1-CG1 4.12Å; F45-I66 HydrophobicContact CE1-CD1 4.39Å; F45-I66 PolarHBondContact N-O 2.75Å; F45-I66 PolarHBondContact O-N 3.16Å; F45-Y68 VanDerWaalsContact CA-CZ 3.46Å; F45-Y68 WeakPolarHBondContact CA-OH 3.36Å; F45-Y68 HydrophobicContact CB-CD1 4.26Å; F45-Y68 HydrophobicContact CB-CE1 3.58Å; F45-S363 WeakPolarHBondContact CE1-OG 3.33Å; F45-M367 HydrophobicContact CB-CE 4.3Å
46H97.7Very high97.8Very high6 Ų611.6 Ų11.63%0.0286%0.061CC..EExtended strand (participates in β ladder)trans-97.1110.8170.6177.4-144.6000110S44 N48 F65 Y131S44-H46 PolarHBondContact O-N 2.88Å; H46-N48 PolarHBondContact O-N 2.86Å; H46-F65 HydrophobicContact CB-CD1 3.95Å; H46-F65 HydrophobicContact CB-CE1 3.73Å; H46-F65 HydrophobicContact CB-CZ 4.5Å; H46-F65 AromaticContact CD2-CE1 3.82Å; H46-F65 AromaticContact CD2-CZ 3.75Å; H46-F65 AromaticContact CG-CE1 3.72Å; H46-Y131 AromaticContact CE1-CE2 3.85Å; H46-Y131 AromaticContact CE1-CZ 3.79Å; H46-Y131 PolarHBondContact CE1-OH 3.08Å; H46-Y131 AromaticContact NE2-CE2 3.72Å; H46-Y131 AromaticContact NE2-CZ 3.82Å
47H97.7Very high97.8Very high2 Ų213.7 Ų13.71%0.0097%0.071CC..  trans-71.174.8171.9-170.694.5000110.4F20 F45 V49 A50 T64 L358 L359 L360 S363F20-H47 AromaticContact CE1-CE1 3.9Å; F20-H47 AromaticContact CE1-ND1 3.74Å; F20-H47 AromaticContact CZ-CE1 3.69Å; F20-H47 AromaticContact CZ-ND1 3.53Å; F45-H47 HydrophobicContact CD1-CB 4.42Å; F45-H47 HydrophobicContact CE1-CB 3.63Å; F45-H47 AromaticContact CE1-ND1 3.92Å; F45-H47 HydrophobicContact CZ-CB 4.08Å; H47-V49 PolarHBondContact O-N 3.04Å; H47-A50 PolarHBondContact O-N 3.39Å; H47-T64 PolarHBondContact N-O 2.83Å; H47-L358 PolarHBondContact NE2-O 3.3Å; H47-L359 PolarHBondContact CE1-O 3.29Å; H47-L360 HydrophobicContact CB-CD2 3.89Å; H47-S363 PolarHBondContact CE1-OG 2.87Å; H47-S363 WeakPolarHBondContact ND1-CB 3.47Å; H47-S363 PolarHBondContact ND1-OG 2.87Å
48N95.9Very high97.7Very high49 Ų4915.8 Ų15.826%0.2629%0.085SC..G310 helixtrans-69.8-7.3-171.674.3-39.1000114.5F20 H46 A50 A51F20-N48 VanDerWaalsContact CE2-OD1 3.24Å; F20-N48 WeakPolarHBondContact CE2-OD1 3.32Å; H46-N48 PolarHBondContact O-N 2.86Å; N48-A50 PolarHBondContact O-N 3.23Å; N48-A51 HydrophobicContact CB-CB 4.4Å; N48-A51 VanDerWaalsContact O-CB 3.28Å; N48-A51 WeakPolarHBondContact O-CB 3.21Å; N48-A51 PolarHBondContact O-N 3.17Å
49V96.9Very high97.6Very high36 Ų3617.7 Ų17.722%0.21811%0.105CC..G310 helixtrans-64.5-23.5167.11710000111.6F20 H47 A294F20-V49 HydrophobicContact CE2-CG2 3.73Å; F20-V49 HydrophobicContact CZ-CB 4.22Å; F20-V49 HydrophobicContact CZ-CG2 3.64Å; H47-V49 PolarHBondContact O-N 3.04Å; V49-A294 HydrophobicContact CG2-CB 3.96Å
50A97.8Very high97.5Very high0 Ų017.9 Ų17.90%011%0.106CC..G310 helixtrans-103.73.1177.700000114.3H47 N48 L52 R53 A54 F60 T64 L358 L360H47-A50 PolarHBondContact O-N 3.39Å; N48-A50 PolarHBondContact O-N 3.23Å; A50-L52 PolarHBondContact O-N 3.45Å; A50-R53 PolarHBondContact O-N 3.03Å; A50-A54 PolarHBondContact O-N 3.44Å; A50-F60 HydrophobicContact CB-CE1 3.98Å; A50-T64 HydrophobicContact CB-CG2 3.77Å; A50-L358 HydrophobicContact CB-CB 3.71Å; A50-L358 HydrophobicContact CB-CD1 3.74Å; A50-L358 HydrophobicContact CB-CG 4.36Å; A50-L360 HydrophobicContact CB-CD1 4.25Å; A50-L360 HydrophobicContact CB-CD2 3.98Å; A50-L360 HydrophobicContact CB-CG 4.09Å
51A97.5Very high97.5Very high0 Ų017.5 Ų17.50%010%0.103CC..Hα-helixtrans-60-40-174.700000113.7N48 R53 A54 S55 P115 Y131N48-A51 HydrophobicContact CB-CB 4.4Å; N48-A51 VanDerWaalsContact O-CB 3.28Å; N48-A51 WeakPolarHBondContact O-CB 3.21Å; N48-A51 PolarHBondContact O-N 3.17Å; A51-R53 VanDerWaalsContact C-N 3.3Å; A51-R53 PolarHBondContact O-N 3.06Å; A51-A54 WeakPolarHBondContact O-CB 3.48Å; A51-A54 PolarHBondContact O-N 3Å; A51-S55 PolarHBondContact O-N 2.9Å; A51-P115 WeakPolarHBondContact CB-O 3.06Å; A51-Y131 HydrophobicContact CB-CE1 4.06Å; A51-Y131 WeakPolarHBondContact CB-OH 3.15Å; A51-Y131 WeakPolarHBondContact O-CE1 3.27Å
52L98.4Very high97.5Very high13 Ų1321.3 Ų21.37%0.06812%0.12CC..Hα-helixtrans-66.8-35.1-178.6-53.7179.7000111.4A50 S55 P115 T152 E155 M156 E159A50-L52 PolarHBondContact O-N 3.45Å; L52-S55 PolarHBondContact O-N 3.4Å; L52-S55 PolarHBondContact O-OG 3.07Å; L52-P115 HydrophobicContact CD2-CG 4.17Å; L52-T152 HydrophobicContact CD1-CG2 4.03Å; L52-T152 VanDerWaalsContact CD1-O 3.28Å; L52-T152 WeakPolarHBondContact CD1-O 3.36Å; L52-T152 HydrophobicContact CD2-CG2 3.95Å; L52-E155 HydrophobicContact CD1-CB 3.59Å; L52-M156 HydrophobicContact CB-SD 4.04Å; L52-M156 HydrophobicContact CD1-CB 4.22Å; L52-M156 HydrophobicContact CD2-CB 4.45Å; L52-M156 HydrophobicContact CD2-SD 3.75Å; L52-M156 HydrophobicContact CG-SD 4.37Å; L52-E159 HydrophobicContact CB-CG 4.29Å
53R98.4Very high97.5Very high4 Ų423.2 Ų23.22%0.01513%0.128CC..Hα-helixtrans-71.2-41.1172.7-171.4164.5-62.1150.59.8112.2A50 A51 S55 V56 Q57 F60 E159 G332 S355 R356 L358A50-R53 PolarHBondContact O-N 3.03Å; A51-R53 VanDerWaalsContact C-N 3.3Å; A51-R53 PolarHBondContact O-N 3.06Å; R53-S55 PolarHBondContact O-N 3.39Å; R53-V56 WeakPolarHBondContact O-CG2 3.23Å; R53-V56 PolarHBondContact O-N 3.28Å; R53-Q57 HydrophobicContact CG-CB 4.14Å; R53-Q57 PolarHBondContact O-N 2.89Å; R53-F60 HydrophobicContact CB-CD1 4.23Å; R53-F60 HydrophobicContact CB-CE1 3.97Å; R53-F60 HydrophobicContact CB-CZ 4.3Å; R53-F60 HydrophobicContact CG-CD1 4.08Å; R53-F60 HydrophobicContact CG-CD2 4.19Å; R53-F60 HydrophobicContact CG-CE1 4.04Å; R53-F60 HydrophobicContact CG-CE2 4.14Å; R53-F60 HydrophobicContact CG-CG 4.17Å; R53-F60 HydrophobicContact CG-CZ 4.07Å; R53-E159 IonicContact CZ-OE1 3.24Å; R53-E159 IonicContact CZ-OE2 3.02Å; R53-E159 IonicContact NE-OE1 3.73Å; R53-E159 IonicContact NE-OE2 3.97Å; R53-E159 PolarHBondContact NE-OE2 3.49Å; R53-E159 IonicContact NH2-OE1 3.09Å; R53-E159 PolarHBondContact NH2-OE1 2.77Å; R53-E159 IonicContact NH2-OE2 3.04Å; R53-E159 PolarHBondContact NH2-OE2 3.48Å; R53-G332 VanDerWaalsContact NH2-C 3.26Å; R53-G332 PolarHBondContact NH2-O 3.5Å; R53-S355 PolarHBondContact NH1-O 3.24Å; R53-S355 PolarHBondContact NH2-O 3.01Å; R53-R356 PolarHBondContact NH1-O 2.8Å; R53-L358 HydrophobicContact CB-CD1 3.53Å; R53-L358 HydrophobicContact CG-CD1 4.37Å
54A98.4Very high97.5Very high0 Ų021.1 Ų21.10%012%0.116CC..Hα-helixtrans-56.1-30.8173.200000112.7A50 A51 F60 A61 T64 Y131 V135A50-A54 PolarHBondContact O-N 3.44Å; A51-A54 WeakPolarHBondContact O-CB 3.48Å; A51-A54 PolarHBondContact O-N 3Å; A54-F60 HydrophobicContact CB-CD1 4.03Å; A54-A61 HydrophobicContact CB-CB 4.03Å; A54-T64 HydrophobicContact CB-CG2 3.97Å; A54-Y131 HydrophobicContact CB-CD1 3.74Å; A54-Y131 HydrophobicContact CB-CE1 4.24Å; A54-Y131 HydrophobicContact CB-CG 3.94Å; A54-V135 WeakPolarHBondContact O-CG2 3.43Å
55S98.4Very high97.5Very high0 Ų021.1 Ų21.10%012%0.117CC..THydrogen-bonded Turntrans-80.2-12.3176.664.40000115.8A51 L52 R53 V135 I138 M156A51-S55 PolarHBondContact O-N 2.9Å; L52-S55 PolarHBondContact O-N 3.4Å; L52-S55 PolarHBondContact O-OG 3.07Å; R53-S55 PolarHBondContact O-N 3.39Å; S55-V135 VanDerWaalsContact C-CG2 3.47Å; S55-V135 WeakPolarHBondContact O-CA 3.35Å; S55-V135 WeakPolarHBondContact O-CG2 3.37Å; S55-V135 PolarHBondContact O-N 3.38Å; S55-I138 VanDerWaalsContact O-CD1 3.29Å; S55-I138 WeakPolarHBondContact O-CD1 3.28Å; S55-M156 WeakPolarHBondContact OG-CE 3.41Å
56V98.2Very high97.6Very high1 Ų121.1 Ų21.11%0.00612%0.117CC..THydrogen-bonded Turntrans-113.4-31.1-178.9-60.10000113.3R53 I138 M156 E159 I160 E163 Y164R53-V56 WeakPolarHBondContact O-CG2 3.23Å; R53-V56 PolarHBondContact O-N 3.28Å; V56-I138 HydrophobicContact CG1-CD1 3.66Å; V56-M156 HydrophobicContact CG1-CE 3.5Å; V56-M156 VanDerWaalsContact CG1-CE 3.5Å; V56-E159 HydrophobicContact CG1-CB 4.38Å; V56-E159 HydrophobicContact CG2-CB 3.99Å; V56-I160 HydrophobicContact CG1-CG1 3.82Å; V56-E163 HydrophobicContact CB-CB 4.41Å; V56-E163 HydrophobicContact CG2-CB 4.28Å; V56-Y164 HydrophobicContact CB-CE2 4.32Å; V56-Y164 PolarHBondContact O-OH 2.83Å
57Q97.8Very high97.6Very high50 Ų5022 Ų2223%0.23412%0.123CC..SBendtrans-102.8115.4-173.2-175-177.5-17.100110.6R53 G59 F60R53-Q57 HydrophobicContact CG-CB 4.14Å; R53-Q57 PolarHBondContact O-N 2.89Å; Q57-G59 PolarHBondContact O-N 3.01Å; Q57-F60 HydrophobicContact CB-CB 3.9Å; Q57-F60 HydrophobicContact CB-CG 4.46Å; Q57-F60 HydrophobicContact CG-CB 4.05Å; Q57-F60 VanDerWaalsContact O-CB 3.26Å; Q57-F60 WeakPolarHBondContact O-CB 3.1Å; Q57-F60 PolarHBondContact O-N 3.01Å
58P97.1Very high97.6Very high64 Ų6422 Ų2242%0.41612%0.123SC..THydrogen-bonded Turntrans-53.5136.5177.5-22.528.9000113F60 V135P58-F60 PolarHBondContact O-N 2.94Å; P58-V135 HydrophobicContact CB-CG1 4.26Å; P58-V135 HydrophobicContact CG-CG1 3.69Å
59G96.4Very high97.7Very high40 Ų4023.9 Ų23.941%0.41214%0.136SC..THydrogen-bonded Turntrans72.6-3.4177.600000115.2Q57 A61 E132Q57-G59 PolarHBondContact O-N 3.01Å; G59-A61 VanDerWaalsContact C-N 3.33Å; G59-A61 PolarHBondContact O-N 2.62Å; G59-E132 WeakPolarHBondContact CA-OE1 3.5Å; G59-E132 VanDerWaalsContact N-CD 3.34Å; G59-E132 PolarHBondContact N-OE1 3.31Å; G59-E132 PolarHBondContact N-OE2 3.28Å
60F97.4Very high97.7Very high6 Ų628.7 Ų28.73%0.02616%0.156CC..  trans-73.8-27-177.2-171.1-85.3000112.3A50 R53 A54 Q57 P58 Q62 R63 T64 L358 L360A50-F60 HydrophobicContact CB-CE1 3.98Å; R53-F60 HydrophobicContact CB-CD1 4.23Å; R53-F60 HydrophobicContact CB-CE1 3.97Å; R53-F60 HydrophobicContact CB-CZ 4.3Å; R53-F60 HydrophobicContact CG-CD1 4.08Å; R53-F60 HydrophobicContact CG-CD2 4.19Å; R53-F60 HydrophobicContact CG-CE1 4.04Å; R53-F60 HydrophobicContact CG-CE2 4.14Å; R53-F60 HydrophobicContact CG-CG 4.17Å; R53-F60 HydrophobicContact CG-CZ 4.07Å; A54-F60 HydrophobicContact CB-CD1 4.03Å; Q57-F60 HydrophobicContact CB-CB 3.9Å; Q57-F60 HydrophobicContact CB-CG 4.46Å; Q57-F60 HydrophobicContact CG-CB 4.05Å; Q57-F60 VanDerWaalsContact O-CB 3.26Å; Q57-F60 WeakPolarHBondContact O-CB 3.1Å; Q57-F60 PolarHBondContact O-N 3.01Å; P58-F60 PolarHBondContact O-N 2.94Å; F60-Q62 VanDerWaalsContact C-N 3.27Å; F60-Q62 PolarHBondContact O-N 2.81Å; F60-R63 VanDerWaalsContact CE2-NH1 3.34Å; F60-R63 WeakPolarHBondContact O-CB 3.45Å; F60-R63 PolarHBondContact O-N 3.06Å; F60-R63 VanDerWaalsContact O-N 3.08Å; F60-T64 HydrophobicContact CD1-CG2 4.01Å; F60-T64 HydrophobicContact CE1-CG2 3.83Å; F60-L358 HydrophobicContact CZ-CD1 4.32Å; F60-L360 HydrophobicContact CE1-CD1 3.97Å; F60-L360 HydrophobicContact CE2-CD1 4.42Å; F60-L360 HydrophobicContact CZ-CD1 3.58Å
61A97.6Very high97.7Very high0 Ų029.3 Ų29.30%016%0.16CC..G310 helixtrans-59.9-32.8-174.300000113.7A54 G59 R63 T64 F65 V128 Y131A54-A61 HydrophobicContact CB-CB 4.03Å; G59-A61 VanDerWaalsContact C-N 3.33Å; G59-A61 PolarHBondContact O-N 2.62Å; A61-R63 PolarHBondContact O-N 3.38Å; A61-R63 VanDerWaalsContact O-N 3.12Å; A61-T64 PolarHBondContact O-N 2.94Å; A61-T64 PolarHBondContact O-OG1 2.71Å; A61-F65 WeakPolarHBondContact O-CD2 3.39Å; A61-V128 HydrophobicContact CB-CG1 4.28Å; A61-Y131 HydrophobicContact CB-CG 4.26Å
62Q96.6Very high97.7Very high110 Ų11029.7 Ų29.751%0.51416%0.162SC..G310 helixtrans-58.1-30.2177.6-66.5-17813.400112.7F60 T64 V128F60-Q62 VanDerWaalsContact C-N 3.27Å; F60-Q62 PolarHBondContact O-N 2.81Å; Q62-T64 VanDerWaalsContact C-N 3.27Å; Q62-T64 PolarHBondContact O-N 3.21Å; Q62-V128 HydrophobicContact CG-CG1 3.8Å; Q62-V128 HydrophobicContact CG-CG2 4.25Å
63R96.9Very high97.7Very high61 Ų6130.8 Ų30.823%0.2318%0.176CC..G310 helixtrans-75.3-16.9179.7-58.517570.6-153.8-3.8112.5F60 A61 D357 L360 W364 Q371 P372F60-R63 VanDerWaalsContact CE2-NH1 3.34Å; F60-R63 WeakPolarHBondContact O-CB 3.45Å; F60-R63 PolarHBondContact O-N 3.06Å; F60-R63 VanDerWaalsContact O-N 3.08Å; A61-R63 PolarHBondContact O-N 3.38Å; A61-R63 VanDerWaalsContact O-N 3.12Å; R63-D357 IonicContact CZ-OD1 2.73Å; R63-D357 IonicContact NH2-OD1 3.48Å; R63-D357 PolarHBondContact NH2-OD1 2.81Å; R63-L360 HydrophobicContact CB-CD1 3.99Å; R63-L360 WeakPolarHBondContact O-CD2 3.27Å; R63-W364 PolarHBondContact O-NE1 2.86Å; R63-Q371 VanDerWaalsContact CZ-NE2 3.29Å; R63-Q371 VanDerWaalsContact NH2-CD 3.3Å; R63-Q371 VanDerWaalsContact NH2-OE1 3.1Å; R63-P372 HydrophobicContact CG-CG 4.3Å
64T97.6Very high97.6Very high0 Ų037.6 Ų37.60%022%0.218CC..G310 helixtrans-94.8-9.2-172.6680000113.8H47 A50 A54 F60 A61 Q62 L360H47-T64 PolarHBondContact N-O 2.83Å; A50-T64 HydrophobicContact CB-CG2 3.77Å; A54-T64 HydrophobicContact CB-CG2 3.97Å; F60-T64 HydrophobicContact CD1-CG2 4.01Å; F60-T64 HydrophobicContact CE1-CG2 3.83Å; A61-T64 PolarHBondContact O-N 2.94Å; A61-T64 PolarHBondContact O-OG1 2.71Å; Q62-T64 VanDerWaalsContact C-N 3.27Å; Q62-T64 PolarHBondContact O-N 3.21Å; T64-L360 HydrophobicContact CG2-CD2 4.33Å
65F97.8Very high97.6Very high2 Ų239 Ų391%0.00923%0.228CC..EExtended strand (participates in β ladder)trans-111.7132.5176.2-66.2-90.6000110.7F45 H46 A61 F118 L124 V128 Y131F45-F65 CarbonylContact O-C 3.6Å; F45-F65 VanDerWaalsContact O-CA 3.3Å; F45-F65 WeakPolarHBondContact O-CA 3.25Å; H46-F65 HydrophobicContact CB-CD1 3.95Å; H46-F65 HydrophobicContact CB-CE1 3.73Å; H46-F65 HydrophobicContact CB-CZ 4.5Å; H46-F65 AromaticContact CD2-CE1 3.82Å; H46-F65 AromaticContact CD2-CZ 3.75Å; H46-F65 AromaticContact CG-CE1 3.72Å; A61-F65 WeakPolarHBondContact O-CD2 3.39Å; F65-F118 HydrophobicContact CE1-CD1 4.09Å; F65-F118 HydrophobicContact CE1-CE1 4.33Å; F65-F118 HydrophobicContact CZ-CD1 4.18Å; F65-F118 HydrophobicContact CZ-CE1 4.44Å; F65-L124 HydrophobicContact CB-CD1 3.63Å; F65-L124 HydrophobicContact CB-CD2 4.46Å; F65-L124 HydrophobicContact CB-CG 3.56Å; F65-L124 HydrophobicContact CG-CG 4.26Å; F65-V128 HydrophobicContact CD2-CG2 3.87Å; F65-V128 HydrophobicContact CE2-CG2 4.34Å; F65-Y131 AromaticContact CE2-CD2 3.79Å; F65-Y131 HydrophobicContact CE2-CD2 3.79Å; F65-Y131 AromaticContact CE2-CE2 4Å; F65-Y131 HydrophobicContact CE2-CE2 4Å; F65-Y131 AromaticContact CZ-CD2 3.98Å; F65-Y131 HydrophobicContact CZ-CD2 3.98Å; F65-Y131 AromaticContact CZ-CE2 3.81Å; F65-Y131 HydrophobicContact CZ-CE2 3.81Å
66I98.3Very high97.6Very high0 Ų040.2 Ų40.20%023%0.233CC..EExtended strand (participates in β ladder)trans-128.7112.5-176.5-46.8-175.1000108.5S44 F45 Y68 W364 M367 Q369S44-I66 CarbonylContact C-O 3.51Å; S44-I66 WeakPolarHBondContact CA-O 3.35Å; S44-I66 WeakPolarHBondContact CB-O 3.35Å; F45-I66 HydrophobicContact CB-CB 4.33Å; F45-I66 HydrophobicContact CD1-CB 4.3Å; F45-I66 HydrophobicContact CD1-CD1 3.94Å; F45-I66 HydrophobicContact CD1-CG1 4.12Å; F45-I66 HydrophobicContact CE1-CD1 4.39Å; F45-I66 PolarHBondContact N-O 2.75Å; F45-I66 PolarHBondContact O-N 3.16Å; I66-Y68 PolarHBondContact O-N 2.92Å; I66-W364 HydrophobicContact CD1-CB 4.42Å; I66-W364 HydrophobicContact CD1-CD2 3.73Å; I66-W364 HydrophobicContact CD1-CE3 4.29Å; I66-W364 HydrophobicContact CD1-CG 3.78Å; I66-W364 HydrophobicContact CD1-CZ2 4.39Å; I66-W364 HydrophobicContact CG1-CD2 4.01Å; I66-W364 HydrophobicContact CG1-CE3 4.37Å; I66-W364 HydrophobicContact CG1-CH2 4.17Å; I66-W364 HydrophobicContact CG1-CZ2 3.8Å; I66-W364 HydrophobicContact CG1-CZ3 4.44Å; I66-W364 HydrophobicContact CG2-CE3 4.07Å; I66-W364 HydrophobicContact CG2-CH2 4.32Å; I66-W364 HydrophobicContact CG2-CZ3 3.97Å; I66-M367 HydrophobicContact CB-CG 4.38Å; I66-M367 HydrophobicContact CD1-CG 4.25Å; I66-M367 HydrophobicContact CG2-CB 3.69Å; I66-M367 HydrophobicContact CG2-CE 4.15Å; I66-M367 HydrophobicContact CG2-CG 3.86Å; I66-Q369 HydrophobicContact CG2-CB 4.43Å; I66-Q369 HydrophobicContact CG2-CG 4.48Å; I66-Q369 VanDerWaalsContact CG2-OE1 3.23Å
67P97.9Very high97.6Very high25 Ų2541.5 Ų41.516%0.16224%0.24CC..EExtended strand (participates in β ladder)trans-55.9131.3-176.4-26.233.5000112.9V69 E70 L124 Q369P67-V69 HydrophobicContact CB-CG1 4.43Å; P67-E70 HydrophobicContact CB-CG 4.16Å; P67-L124 HydrophobicContact CG-CD1 3.8Å; P67-Q369 PolarHBondContact O-NE2 3.42Å
68Y98.4Very high97.6Very high0 Ų043.3 Ų43.30%025%0.248CC..Hα-helixtrans-70.3-37.4177.5-66.1-61.9000112.1G18 I23 L38 D40 R42 D43 S44 F45 I66 E70 T71 F72 F76 M367G18-Y68 VanDerWaalsContact C-OH 3.23Å; G18-Y68 WeakPolarHBondContact CA-OH 3.45Å; G18-Y68 PolarHBondContact O-OH 2.89Å; I23-Y68 HydrophobicContact CG2-CE1 3.89Å; L38-Y68 HydrophobicContact CD2-CD1 3.93Å; L38-Y68 HydrophobicContact CD2-CE1 4.15Å; D40-Y68 HydrophobicContact CB-CE2 3.76Å; R42-Y68 WeakPolarHBondContact O-CE2 3.49Å; D43-Y68 VanDerWaalsContact O-CD2 3.31Å; D43-Y68 WeakPolarHBondContact O-CD2 3.45Å; D43-Y68 PolarHBondContact O-N 2.92Å; S44-Y68 VanDerWaalsContact N-CD2 3.32Å; S44-Y68 WeakPolarHBondContact O-CE2 3.45Å; S44-Y68 PolarHBondContact O-OH 2.95Å; F45-Y68 VanDerWaalsContact CA-CZ 3.46Å; F45-Y68 WeakPolarHBondContact CA-OH 3.36Å; F45-Y68 HydrophobicContact CB-CD1 4.26Å; F45-Y68 HydrophobicContact CB-CE1 3.58Å; I66-Y68 PolarHBondContact O-N 2.92Å; Y68-E70 VanDerWaalsContact C-N 3.28Å; Y68-E70 PolarHBondContact O-N 3.44Å; Y68-T71 PolarHBondContact O-N 3.32Å; Y68-F72 HydrophobicContact CD1-CD2 4.15Å; Y68-F72 HydrophobicContact CD1-CE2 4.06Å; Y68-F72 PolarHBondContact O-N 3.21Å; Y68-F76 AromaticContact CD2-CD2 3.93Å; Y68-F76 HydrophobicContact CD2-CD2 3.93Å; Y68-F76 HydrophobicContact CD2-CE1 4.15Å; Y68-F76 AromaticContact CD2-CE2 3.34Å; Y68-F76 HydrophobicContact CD2-CE2 3.34Å; Y68-F76 AromaticContact CD2-CZ 3.47Å; Y68-F76 HydrophobicContact CD2-CZ 3.47Å; Y68-F76 VanDerWaalsContact CD2-CZ 3.47Å; Y68-F76 HydrophobicContact CE2-CE2 4.02Å; Y68-F76 HydrophobicContact CE2-CZ 4.3Å; Y68-F76 AromaticContact CG-CD2 3.91Å; Y68-F76 HydrophobicContact CG-CD2 3.91Å; Y68-F76 AromaticContact CG-CE2 3.82Å; Y68-F76 HydrophobicContact CG-CE2 3.82Å; Y68-F76 HydrophobicContact CG-CG 4.33Å; Y68-F76 HydrophobicContact CG-CZ 4.15Å; Y68-M367 HydrophobicContact CD1-CE 3.95Å
69V97.6Very high97.6Very high90 Ų9040.9 Ų40.955%0.54524%0.235SC..Hα-helixtrans-60.9-35.1-173.4670000112.6P67 T71 G73P67-V69 HydrophobicContact CB-CG1 4.43Å; V69-T71 VanDerWaalsContact C-N 3.27Å; V69-T71 PolarHBondContact O-N 3.23Å; V69-G73 VanDerWaalsContact O-CA 3.28Å; V69-G73 WeakPolarHBondContact O-CA 3.14Å; V69-G73 PolarHBondContact O-N 3.26Å
70E97.4Very high97.6Very high136 Ų13643.1 Ų43.164%0.63623%0.231SC*.Hα-helixtrans-67-29.5177.9-68.5-176-152.400112.5P67 Y68 Q369P67-E70 HydrophobicContact CB-CG 4.16Å; Y68-E70 VanDerWaalsContact C-N 3.28Å; Y68-E70 PolarHBondContact O-N 3.44Å; E70-Q369 HydrophobicContact CB-CG 4.3Å; E70-Q369 PolarHBondContact OE2-OE1 3.18Å
71T97.6Very high97.7Very high13 Ų1343.8 Ų43.88%0.0824%0.236CC..Hα-helixtrans-92.6-45.9179.7-55.30000112.3R30 Y68 V69 M367 Q369R30-T71 PolarHBondContact NH1-O 3.26Å; Y68-T71 PolarHBondContact O-N 3.32Å; V69-T71 VanDerWaalsContact C-N 3.27Å; V69-T71 PolarHBondContact O-N 3.23Å; T71-M367 WeakPolarHBondContact CB-O 3.46Å; T71-M367 HydrophobicContact CG2-CE 4.37Å; T71-M367 VanDerWaalsContact CG2-O 3.27Å; T71-M367 WeakPolarHBondContact CG2-O 3.48Å; T71-M367 HydrophobicContact CG2-SD 4.25Å; T71-M367 WeakPolarHBondContact OG1-CE 3.4Å; T71-M367 PolarHBondContact OG1-O 3Å; T71-Q369 PolarHBondContact OG1-NE2 2.93Å
72F98.2Very high97.6Very high9 Ų948.5 Ų48.54%0.03926%0.258CS..Hα-helixtrans-107.9-11.1-166.7-59.3-61000113.4I23 A26 Q27 F36 L38 Y68 T74 S75 F76 M367I23-F72 HydrophobicContact CG2-CE2 4.44Å; A26-F72 HydrophobicContact CB-CD1 4.21Å; A26-F72 HydrophobicContact CB-CE1 3.56Å; A26-F72 HydrophobicContact CB-CE2 4.48Å; A26-F72 HydrophobicContact CB-CZ 3.71Å; Q27-F72 HydrophobicContact CG-CE1 4.38Å; Q27-F72 HydrophobicContact CG-CZ 4.36Å; F36-F72 HydrophobicContact CE2-CD1 4.21Å; F36-F72 AromaticContact CZ-CD1 3.95Å; F36-F72 HydrophobicContact CZ-CD1 3.95Å; L38-F72 HydrophobicContact CD2-CD2 3.66Å; L38-F72 HydrophobicContact CD2-CE2 3.6Å; L38-F72 HydrophobicContact CD2-CG 4.42Å; L38-F72 HydrophobicContact CD2-CZ 4.31Å; Y68-F72 HydrophobicContact CD1-CD2 4.15Å; Y68-F72 HydrophobicContact CD1-CE2 4.06Å; Y68-F72 PolarHBondContact O-N 3.21Å; F72-T74 PolarHBondContact O-N 3.39Å; F72-S75 WeakPolarHBondContact O-CB 3.44Å; F72-S75 PolarHBondContact O-N 3.37Å; F72-F76 HydrophobicContact CB-CB 3.89Å; F72-M367 HydrophobicContact CD2-CE 4.41Å; F72-M367 HydrophobicContact CE2-CE 3.81Å; F72-M367 HydrophobicContact CE2-SD 3.83Å; F72-M367 HydrophobicContact CZ-SD 4.05Å
73G97.4Very high97.7Very high36 Ų3647.9 Ų47.937%0.37125%0.251SS..G310 helixtrans51.1-123.817700000112.2V69 S75 F76V69-G73 VanDerWaalsContact O-CA 3.28Å; V69-G73 WeakPolarHBondContact O-CA 3.14Å; V69-G73 PolarHBondContact O-N 3.26Å; G73-S75 VanDerWaalsContact C-N 3.26Å; G73-S75 PolarHBondContact O-N 3.06Å; G73-F76 PolarHBondContact O-N 2.65Å
74T97.1Very high97.8Very high147 Ų14745 Ų4590%0.90224%0.24SC*.G310 helixtrans-72.2-14.5-179.854.40000114.4F72 F76F72-T74 PolarHBondContact O-N 3.39Å; T74-F76 PolarHBondContact O-N 3.16Å
75S98.3Very high97.8Very high28 Ų2845.9 Ų45.920%0.19624%0.244CC..G310 helixtrans-79.4-3.6174.1-600000112.6F36 T37 L38 F72 G73F36-S75 WeakPolarHBondContact O-CB 3.15Å; T37-S75 CarbonylContact C-O 3.5Å; T37-S75 WeakPolarHBondContact CA-O 3.45Å; L38-S75 PolarHBondContact N-O 3.11Å; F72-S75 WeakPolarHBondContact O-CB 3.44Å; F72-S75 PolarHBondContact O-N 3.37Å; G73-S75 VanDerWaalsContact C-N 3.26Å; G73-S75 PolarHBondContact O-N 3.06Å
76F98.6Very high97.8Very high27 Ų2746.9 Ų46.912%0.11825%0.251CS..EExtended strand (participates in β ladder)trans-102.4137.3170.4168.9-111.1000110.8L38 D40 R42 Y68 F72 G73 T74 Q78L38-F76 HydrophobicContact CD2-CD2 4.43Å; L38-F76 HydrophobicContact CG-CD2 4.34Å; L38-F76 WeakPolarHBondContact O-CD2 3.26Å; D40-F76 HydrophobicContact CB-CE2 4.35Å; R42-F76 WeakPolarHBondContact O-CZ 3.48Å; Y68-F76 AromaticContact CD2-CD2 3.93Å; Y68-F76 HydrophobicContact CD2-CD2 3.93Å; Y68-F76 HydrophobicContact CD2-CE1 4.15Å; Y68-F76 AromaticContact CD2-CE2 3.34Å; Y68-F76 HydrophobicContact CD2-CE2 3.34Å; Y68-F76 AromaticContact CD2-CZ 3.47Å; Y68-F76 HydrophobicContact CD2-CZ 3.47Å; Y68-F76 VanDerWaalsContact CD2-CZ 3.47Å; Y68-F76 HydrophobicContact CE2-CE2 4.02Å; Y68-F76 HydrophobicContact CE2-CZ 4.3Å; Y68-F76 AromaticContact CG-CD2 3.91Å; Y68-F76 HydrophobicContact CG-CD2 3.91Å; Y68-F76 AromaticContact CG-CE2 3.82Å; Y68-F76 HydrophobicContact CG-CE2 3.82Å; Y68-F76 HydrophobicContact CG-CG 4.33Å; Y68-F76 HydrophobicContact CG-CZ 4.15Å; F72-F76 HydrophobicContact CB-CB 3.89Å; G73-F76 PolarHBondContact O-N 2.65Å; T74-F76 PolarHBondContact O-N 3.16Å; F76-Q78 HydrophobicContact CE1-CB 3.89Å; F76-Q78 HydrophobicContact CZ-CB 3.62Å; F76-Q78 HydrophobicContact CZ-CG 4.26Å
77L98.1Very high97.7Very high28 Ų2855.6 Ų55.615%0.14729%0.292CS..EExtended strand (participates in β ladder)trans-132.6112.9172.3170.758.1000109.5T37 L38 L39 G79 L93 V99T37-L77 HydrophobicContact CG2-CB 3.88Å; L38-L77 PolarHBondContact O-N 2.73Å; L39-L77 WeakPolarHBondContact CA-O 3.48Å; L39-L77 HydrophobicContact CD2-CB 3.74Å; L39-L77 HydrophobicContact CD2-CD2 3.7Å; L39-L77 HydrophobicContact CD2-CG 3.66Å; L39-L77 WeakPolarHBondContact CD2-O 3.42Å; L77-G79 PolarHBondContact O-N 2.83Å; L77-L93 HydrophobicContact CD2-CD2 3.91Å; L77-L93 HydrophobicContact CG-CD2 4.12Å; L77-V99 HydrophobicContact CD2-CG2 4.07Å
78Q97.6Very high97.7Very high87 Ų8760.4 Ų60.441%0.40731%0.307SS..EExtended strand (participates in β ladder)trans-69.3130.3172.6-170178.44.600110.2D40 L41 F76D40-Q78 CarbonylContact O-C 3.53Å; D40-Q78 WeakPolarHBondContact O-CA 3.33Å; L41-Q78 PolarHBondContact O-NE2 3Å; F76-Q78 HydrophobicContact CE1-CB 3.89Å; F76-Q78 HydrophobicContact CZ-CB 3.62Å; F76-Q78 HydrophobicContact CZ-CG 4.26Å
79G96.4Very high97.7Very high14 Ų1464.4 Ų64.414%0.14433%0.325CS..  trans167.5147173.900000113D40 L77 V81D40-G79 CarbonylContact C-O 3.54Å; D40-G79 PolarHBondContact O-N 3.15Å; L77-G79 PolarHBondContact O-N 2.83Å; G79-V81 PolarHBondContact O-N 3Å
80R97.3Very high97.8Very high87 Ų8760.2 Ų60.233%0.32830%0.3SS..  trans-74.2121.8171178.3-179.9-60.5-81.1-5109.6L41 E82 L93 Q94 E121L41-R80 HydrophobicContact CB-CB 4.41Å; R80-E82 HydrophobicContact CG-CG 4.39Å; R80-L93 CarbonylContact O-C 3.57Å; R80-L93 WeakPolarHBondContact O-CA 3.4Å; R80-Q94 HydrophobicContact CB-CB 4.13Å; R80-Q94 PolarHBondContact O-N 2.93Å; R80-E121 IonicContact NE-OE2 2.83Å
81V98.1Very high97.8Very high20 Ų2053.7 Ų53.712%0.12127%0.27CS..EExtended strand (participates in β ladder)trans-80.2121.2168.9-178.50000109.1V16 L39 G79 V91 L93 A250V16-V81 HydrophobicContact CG1-CB 3.88Å; V16-V81 HydrophobicContact CG1-CG1 4.24Å; V16-V81 HydrophobicContact CG1-CG2 3.73Å; V16-V81 HydrophobicContact CG2-CG2 4.25Å; L39-V81 HydrophobicContact CB-CG2 4.04Å; L39-V81 HydrophobicContact CD1-CG2 3.77Å; L39-V81 HydrophobicContact CG-CG2 4.45Å; G79-V81 PolarHBondContact O-N 3Å; V81-V91 HydrophobicContact CG1-CB 4.04Å; V81-L93 HydrophobicContact CG2-CD1 4.24Å; V81-L93 HydrophobicContact CG2-CG 4.49Å; V81-A250 HydrophobicContact CB-CB 4.47Å; V81-A250 HydrophobicContact CG1-CB 4.08Å
82E97.3Very high97.9Very high99 Ų9953.8 Ų53.846%0.46327%0.27SS..EExtended strand (participates in β ladder)trans-100.1-28-179.5-68.3-173.6152.100112.5R80 V92 Q94R80-E82 HydrophobicContact CG-CG 4.39Å; E82-V92 PolarHBondContact N-O 3.5Å; E82-Q94 HydrophobicContact CG-CB 4.02Å; E82-Q94 WeakPolarHBondContact OE1-CG 3.48Å
83R97.9Very high97.9Very high96 Ų9653.7 Ų53.736%0.36227%0.27SS..EExtended strand (participates in β ladder)trans-148.4135.4-175.7-169172.26886.8-0.1112.5D85 V91 V92 A250R83-D85 IonicContact CZ-OD2 2.75Å; R83-D85 IonicContact NH1-OD2 4Å; R83-D85 PolarHBondContact NH1-OD2 3.21Å; R83-D85 IonicContact NH2-OD2 3.95Å; R83-V91 CarbonylContact O-C 3.55Å; R83-V91 WeakPolarHBondContact O-CA 3.48Å; R83-V92 HydrophobicContact CB-CB 4.17Å; R83-V92 HydrophobicContact CB-CG2 4.42Å; R83-V92 PolarHBondContact N-O 3.47Å; R83-V92 PolarHBondContact O-N 3.42Å; R83-A250 CarbonylContact C-O 3.54Å; R83-A250 VanDerWaalsContact CA-O 3.26Å; R83-A250 WeakPolarHBondContact CA-O 3.5Å
84V98.6Very high97.8Very high0 Ų056.5 Ų56.50%027%0.273CS..EExtended strand (participates in β ladder)trans-97.9132.5164.11770000108.4V91 L104 L106 A250 S254V84-V91 HydrophobicContact CG2-CG1 4.22Å; V84-L104 HydrophobicContact CG1-CD2 3.5Å; V84-L104 VanDerWaalsContact CG1-CD2 3.5Å; V84-L104 HydrophobicContact CG2-CD2 4.22Å; V84-L106 HydrophobicContact CG2-CD2 3.96Å; V84-A250 PolarHBondContact N-O 3.32Å; V84-S254 WeakPolarHBondContact O-CB 3.47Å; V84-S254 PolarHBondContact O-OG 3.06Å
85D98.3Very high97.7Very high19 Ų1953.4 Ų53.410%0.10227%0.271CS..EExtended strand (participates in β ladder)trans-117.497.5175-164.5-40.2000108.9R83 E87 R88 Q89 L90 Y101R83-D85 IonicContact CZ-OD2 2.75Å; R83-D85 IonicContact NH1-OD2 4Å; R83-D85 PolarHBondContact NH1-OD2 3.21Å; R83-D85 IonicContact NH2-OD2 3.95Å; D85-E87 VanDerWaalsContact C-N 3.35Å; D85-E87 PolarHBondContact OD1-N 3.07Å; D85-R88 HydrophobicContact CB-CB 4.41Å; D85-R88 PolarHBondContact OD1-N 2.85Å; D85-R88 WeakPolarHBondContact OD2-CD 3.29Å; D85-Q89 WeakPolarHBondContact O-CA 3.47Å; D85-Q89 PolarHBondContact O-N 2.92Å; D85-L90 HydrophobicContact CB-CD1 3.7Å; D85-L90 HydrophobicContact CB-CG 3.98Å; D85-L90 PolarHBondContact N-O 2.91Å; D85-L90 PolarHBondContact O-N 3.09Å; D85-Y101 PolarHBondContact O-OH 2.89Å
86P97.9Very high97.6Very high23 Ų2354.4 Ų54.415%0.14929%0.285CS..THydrogen-bonded Turntrans-74.1-25.5-177.829.2-34.3000113.2L255 F276 I279P86-L255 HydrophobicContact CB-CD2 4.38Å; P86-L255 HydrophobicContact CG-CD2 4.08Å; P86-F276 HydrophobicContact CB-CD1 4.18Å; P86-F276 HydrophobicContact CB-CE1 3.49Å; P86-F276 VanDerWaalsContact CB-CE1 3.49Å; P86-F276 HydrophobicContact CB-CZ 3.95Å; P86-F276 HydrophobicContact CG-CE1 4.12Å; P86-F276 HydrophobicContact CG-CZ 4.13Å; P86-I279 HydrophobicContact CB-CD1 3.87Å
87E96.8Very high97.5Very high183 Ų18360.1 Ų60.186%0.85531%0.306SS*.THydrogen-bonded Turntrans-73.7-45.1179.6-65.7-177.3179.200111.3D85 Q89D85-E87 VanDerWaalsContact C-N 3.35Å; D85-E87 PolarHBondContact OD1-N 3.07Å; E87-Q89 VanDerWaalsContact C-N 3.29Å
88R97.8Very high97.5Very high126 Ų12663 Ų6348%0.47532%0.319SS..THydrogen-bonded Turntrans-85.5-0.7175.6-62.6174.763.5-147.5-6.2113.2D85 L90 E98D85-R88 HydrophobicContact CB-CB 4.41Å; D85-R88 PolarHBondContact OD1-N 2.85Å; D85-R88 WeakPolarHBondContact OD2-CD 3.29Å; R88-L90 HydrophobicContact CB-CD2 3.75Å; R88-L90 HydrophobicContact CB-CG 3.95Å; R88-L90 PolarHBondContact O-N 3.41Å; R88-E98 IonicContact CZ-OE1 2.84Å; R88-E98 IonicContact CZ-OE2 3.86Å; R88-E98 IonicContact NH1-OE1 3.61Å; R88-E98 PolarHBondContact NH1-OE1 3.38Å; R88-E98 IonicContact NH1-OE2 3.21Å; R88-E98 IonicContact NH2-OE1 3.65Å; R88-E98 PolarHBondContact NH2-OE1 3.49Å; R88-E98 IonicContact NH2-OE2 3.47Å; R88-E98 PolarHBondContact NH2-OE2 3.23Å
89Q98.3Very high97.6Very high84 Ų8459.7 Ų59.739%0.39330%0.304SS..THydrogen-bonded Turntrans47.652.9-175.9-57.5-176.1-74.900113.4D85 E87 Y101 N278D85-Q89 WeakPolarHBondContact O-CA 3.47Å; D85-Q89 PolarHBondContact O-N 2.92Å; E87-Q89 VanDerWaalsContact C-N 3.29Å; Q89-Y101 HydrophobicContact CB-CD2 4.27Å; Q89-Y101 HydrophobicContact CB-CE2 3.99Å; Q89-Y101 WeakPolarHBondContact CB-O 3.37Å; Q89-Y101 HydrophobicContact CG-CE2 4.48Å; Q89-Y101 WeakPolarHBondContact O-CD1 3.35Å; Q89-Y101 PolarHBondContact O-N 2.82Å; Q89-N278 PolarHBondContact NE2-ND2 3.3Å
90L98.3Very high97.7Very high2 Ų265.7 Ų65.71%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-141.6162.7178.363.881.4000112.8D85 R88 V92 E98 V99 Q100 Y101D85-L90 HydrophobicContact CB-CD1 3.7Å; D85-L90 HydrophobicContact CB-CG 3.98Å; D85-L90 PolarHBondContact N-O 2.91Å; D85-L90 PolarHBondContact O-N 3.09Å; R88-L90 HydrophobicContact CB-CD2 3.75Å; R88-L90 HydrophobicContact CB-CG 3.95Å; R88-L90 PolarHBondContact O-N 3.41Å; L90-V92 HydrophobicContact CD1-CG2 3.54Å; L90-E98 HydrophobicContact CD1-CB 4.41Å; L90-E98 HydrophobicContact CD1-CG 4.33Å; L90-E98 HydrophobicContact CD2-CB 4.42Å; L90-V99 CarbonylContact C-O 3.46Å; L90-V99 VanDerWaalsContact CA-O 3.26Å; L90-V99 WeakPolarHBondContact CA-O 3.42Å; L90-V99 WeakPolarHBondContact CB-O 3.49Å; L90-Q100 HydrophobicContact CB-CG 4.23Å; L90-Y101 VanDerWaalsContact C-CE1 3.45Å
91V98.6Very high97.7Very high0 Ų062 Ų620%032%0.315CS..EExtended strand (participates in β ladder)trans-114.4147.4167-590000109.7V14 V16 L39 V81 R83 V84 L93 E98 V99 Y101 L104V14-V91 HydrophobicContact CG1-CG1 4.42Å; V14-V91 HydrophobicContact CG1-CG2 3.99Å; V16-V91 HydrophobicContact CG2-CG1 4.21Å; L39-V91 HydrophobicContact CD1-CG2 3.56Å; V81-V91 HydrophobicContact CG1-CB 4.04Å; R83-V91 CarbonylContact O-C 3.55Å; R83-V91 WeakPolarHBondContact O-CA 3.48Å; V84-V91 HydrophobicContact CG2-CG1 4.22Å; V91-L93 HydrophobicContact CG2-CD1 4.28Å; V91-E98 CarbonylContact O-C 3.07Å; V91-E98 WeakPolarHBondContact O-CA 3.23Å; V91-V99 HydrophobicContact CG2-CB 3.88Å; V91-V99 PolarHBondContact N-O 3.31Å; V91-V99 PolarHBondContact O-N 3.37Å; V91-Y101 HydrophobicContact CG1-CD1 4.21Å; V91-Y101 HydrophobicContact CG1-CE1 4.05Å; V91-L104 HydrophobicContact CG1-CD1 3.87Å; V91-L104 HydrophobicContact CG1-CD2 4.31Å
92V98.5Very high97.7Very high15 Ų1562.3 Ų62.39%0.09132%0.318CS..EExtended strand (participates in β ladder)trans-113.8122.6178.2-1700000108.8E82 R83 L90 R97 E98E82-V92 PolarHBondContact N-O 3.5Å; R83-V92 HydrophobicContact CB-CB 4.17Å; R83-V92 HydrophobicContact CB-CG2 4.42Å; R83-V92 PolarHBondContact N-O 3.47Å; R83-V92 PolarHBondContact O-N 3.42Å; L90-V92 HydrophobicContact CD1-CG2 3.54Å; V92-R97 WeakPolarHBondContact CA-O 3.24Å; V92-E98 HydrophobicContact CG2-CG 4.24Å
93L98Very high97.8Very high6 Ų658.6 Ų58.63%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-83.8159.1172.8-77.962.9000110.1L39 L77 R80 V81 V91 G95 G96 R97 V99L39-L93 HydrophobicContact CD1-CD1 4.1Å; L39-L93 HydrophobicContact CD2-CD1 4.04Å; L39-L93 HydrophobicContact CD2-CD2 4.01Å; L39-L93 HydrophobicContact CD2-CG 4.41Å; L77-L93 HydrophobicContact CD2-CD2 3.91Å; L77-L93 HydrophobicContact CG-CD2 4.12Å; R80-L93 CarbonylContact O-C 3.57Å; R80-L93 WeakPolarHBondContact O-CA 3.4Å; V81-L93 HydrophobicContact CG2-CD1 4.24Å; V81-L93 HydrophobicContact CG2-CG 4.49Å; V91-L93 HydrophobicContact CG2-CD1 4.28Å; L93-G95 PolarHBondContact O-N 2.8Å; L93-G96 PolarHBondContact O-N 3.23Å; L93-R97 HydrophobicContact CB-CB 4.32Å; L93-R97 PolarHBondContact N-O 3.22Å; L93-V99 HydrophobicContact CD1-CG2 4Å
94Q95.9Very high97.8Very high95 Ų9554 Ų5444%0.44428%0.283SS..THydrogen-bonded Turntrans-50.5133.7166.3-174.6172.911.200110.4R80 E82 E121R80-Q94 HydrophobicContact CB-CB 4.13Å; R80-Q94 PolarHBondContact O-N 2.93Å; E82-Q94 HydrophobicContact CG-CB 4.02Å; E82-Q94 WeakPolarHBondContact OE1-CG 3.48Å; Q94-E121 PolarHBondContact OE1-OE2 3.49Å
95G94.5Very high97.9Very high82 Ų8254 Ų5485%0.84528%0.283SS*.THydrogen-bonded Turntrans85.82.3-172.300000114.7L93L93-G95 PolarHBondContact O-N 2.8Å
96G96.5Very high97.9Very high49 Ų4953.1 Ų53.151%0.50528%0.279SS..SBendtrans88.86.1167.800000115.7L93 E98L93-G96 PolarHBondContact O-N 3.23Å; G96-E98 PolarHBondContact O-N 3.01Å
97R97.7Very high97.9Very high147 Ų14752.5 Ų52.556%0.55528%0.275SS*.  trans-66.5124.1174.7179.2175.9-179.4175.6-1.1110V92 L93V92-R97 WeakPolarHBondContact CA-O 3.24Å; L93-R97 HydrophobicContact CB-CB 4.32Å; L93-R97 PolarHBondContact N-O 3.22Å
98E98.3Very high97.9Very high89 Ų8944.8 Ų44.842%0.41624%0.24SC..EExtended strand (participates in β ladder)trans-96.7141176.6-56.9-169.4148.600110.9R88 L90 V91 V92 G96R88-E98 IonicContact CZ-OE1 2.84Å; R88-E98 IonicContact CZ-OE2 3.86Å; R88-E98 IonicContact NH1-OE1 3.61Å; R88-E98 PolarHBondContact NH1-OE1 3.38Å; R88-E98 IonicContact NH1-OE2 3.21Å; R88-E98 IonicContact NH2-OE1 3.65Å; R88-E98 PolarHBondContact NH2-OE1 3.49Å; R88-E98 IonicContact NH2-OE2 3.47Å; R88-E98 PolarHBondContact NH2-OE2 3.23Å; L90-E98 HydrophobicContact CD1-CB 4.41Å; L90-E98 HydrophobicContact CD1-CG 4.33Å; L90-E98 HydrophobicContact CD2-CB 4.42Å; V91-E98 CarbonylContact O-C 3.07Å; V91-E98 WeakPolarHBondContact O-CA 3.23Å; V92-E98 HydrophobicContact CG2-CG 4.24Å; G96-E98 PolarHBondContact O-N 3.01Å
99V98.5Very high97.9Very high17 Ų1739.6 Ų39.610%0.10323%0.226CC..EExtended strand (participates in β ladder)trans-128.7115173.2-175.80000108.2V14 L77 L90 V91 L93V14-V99 HydrophobicContact CG2-CG1 3.77Å; L77-V99 HydrophobicContact CD2-CG2 4.07Å; L90-V99 CarbonylContact C-O 3.46Å; L90-V99 VanDerWaalsContact CA-O 3.26Å; L90-V99 WeakPolarHBondContact CA-O 3.42Å; L90-V99 WeakPolarHBondContact CB-O 3.49Å; V91-V99 HydrophobicContact CG2-CB 3.88Å; V91-V99 PolarHBondContact N-O 3.31Å; V91-V99 PolarHBondContact O-N 3.37Å; L93-V99 HydrophobicContact CD1-CG2 4Å
100Q98.3Very high97.8Very high141 Ų14135.8 Ų35.866%0.65921%0.209SC*.EExtended strand (participates in β ladder)trans-76.9152.8178.5-68-151.154.300111.8H12 L90H12-Q100 PolarHBondContact CD2-O 2.85Å; H12-Q100 VanDerWaalsContact CD2-O 3.24Å; L90-Q100 HydrophobicContact CB-CG 4.23Å
101Y98.4Very high97.6Very high9 Ų938.9 Ų38.94%0.03523%0.225CC..  trans-140.9151.1176.463.8-101.4000112D85 Q89 L90 V91 H103 L104D85-Y101 PolarHBondContact O-OH 2.89Å; Q89-Y101 HydrophobicContact CB-CD2 4.27Å; Q89-Y101 HydrophobicContact CB-CE2 3.99Å; Q89-Y101 WeakPolarHBondContact CB-O 3.37Å; Q89-Y101 HydrophobicContact CG-CE2 4.48Å; Q89-Y101 WeakPolarHBondContact O-CD1 3.35Å; Q89-Y101 PolarHBondContact O-N 2.82Å; L90-Y101 VanDerWaalsContact C-CE1 3.45Å; V91-Y101 HydrophobicContact CG1-CD1 4.21Å; V91-Y101 HydrophobicContact CG1-CE1 4.05Å; Y101-H103 WeakPolarHBondContact CB-O 3.39Å; Y101-L104 HydrophobicContact CD1-CB 4.28Å; Y101-L104 HydrophobicContact CD1-CD1 4.34Å; Y101-L104 HydrophobicContact CD2-CB 3.82Å; Y101-L104 HydrophobicContact CE1-CB 4.16Å; Y101-L104 HydrophobicContact CE1-CD1 4.4Å; Y101-L104 HydrophobicContact CE1-CD2 3.84Å; Y101-L104 HydrophobicContact CE1-CG 4.37Å; Y101-L104 HydrophobicContact CE2-CB 3.69Å; Y101-L104 HydrophobicContact CE2-CD2 4.45Å; Y101-L104 HydrophobicContact CG-CB 4.13Å
102S98.2Very high97.4Very high27 Ų2739.7 Ų39.719%0.18923%0.234CC..SBendtrans-86.1-38.5160.468.30000110.6H12 N278H12-S102 PolarHBondContact N-OG 2.7Å; H12-S102 VanDerWaalsContact N-OG 3.14Å; H12-S102 PolarHBondContact O-N 3.12Å; H12-S102 PolarHBondContact O-OG 3.35Å; S102-N278 WeakPolarHBondContact O-CB 3.49Å; S102-N278 PolarHBondContact O-ND2 3.15Å
103H98.7Very high97.3Very high20 Ų2040.7 Ų40.79%0.09324%0.241CC..EExtended strand (participates in β ladder)trans-134.1143.7179.1-61.773.7000110.6H12 V13 V14 Y101 N278 I308H12-H103 PolarHBondContact O-N 3.23Å; V13-H103 WeakPolarHBondContact CA-O 3.48Å; V13-H103 HydrophobicContact CG1-CB 4.37Å; V13-H103 HydrophobicContact CG2-CB 4.28Å; V14-H103 PolarHBondContact N-O 3.41Å; Y101-H103 WeakPolarHBondContact CB-O 3.39Å; H103-N278 CarbonylContact C-O 3.47Å; H103-N278 VanDerWaalsContact CA-O 3.3Å; H103-N278 WeakPolarHBondContact CA-O 3.35Å; H103-I308 HydrophobicContact CB-CD1 4.1Å; H103-I308 HydrophobicContact CB-CG1 4.33Å; H103-I308 HydrophobicContact CB-CG2 4.38Å
104L98.9Very high97.2Very high0 Ų042.4 Ų42.40%025%0.248CC..EExtended strand (participates in β ladder)trans-123.2130.8-177.9179.263.2000110.1V14 V16 V84 V91 Y101 L106 N278 I279 F280V14-L104 HydrophobicContact CB-CD1 4.03Å; V14-L104 HydrophobicContact CG1-CD1 3.88Å; V14-L104 WeakPolarHBondContact O-CA 3.32Å; V16-L104 HydrophobicContact CG2-CD1 3.75Å; V84-L104 HydrophobicContact CG1-CD2 3.5Å; V84-L104 VanDerWaalsContact CG1-CD2 3.5Å; V84-L104 HydrophobicContact CG2-CD2 4.22Å; V91-L104 HydrophobicContact CG1-CD1 3.87Å; V91-L104 HydrophobicContact CG1-CD2 4.31Å; Y101-L104 HydrophobicContact CD1-CB 4.28Å; Y101-L104 HydrophobicContact CD1-CD1 4.34Å; Y101-L104 HydrophobicContact CD2-CB 3.82Å; Y101-L104 HydrophobicContact CE1-CB 4.16Å; Y101-L104 HydrophobicContact CE1-CD1 4.4Å; Y101-L104 HydrophobicContact CE1-CD2 3.84Å; Y101-L104 HydrophobicContact CE1-CG 4.37Å; Y101-L104 HydrophobicContact CE2-CB 3.69Å; Y101-L104 HydrophobicContact CE2-CD2 4.45Å; Y101-L104 HydrophobicContact CG-CB 4.13Å; L104-L106 HydrophobicContact CD1-CD2 4.24Å; L104-L106 HydrophobicContact CD2-CD1 4.43Å; L104-L106 HydrophobicContact CD2-CD2 3.93Å; L104-L106 HydrophobicContact CD2-CG 4.12Å; L104-L106 HydrophobicContact CG-CD2 4.06Å; L104-L106 HydrophobicContact CG-CG 4.11Å; L104-N278 PolarHBondContact N-O 3.45Å; L104-I279 HydrophobicContact CB-CG1 4.28Å; L104-I279 HydrophobicContact CB-CG2 4.27Å; L104-I279 HydrophobicContact CD2-CG2 4.06Å; L104-I279 HydrophobicContact CG-CG2 4.29Å; L104-I279 CarbonylContact O-C 3.47Å; L104-I279 WeakPolarHBondContact O-CA 3.17Å; L104-F280 PolarHBondContact O-N 2.88Å
105I98.9Very high97.3Very high0 Ų038 Ų380%023%0.227CC..EExtended strand (participates in β ladder)trans-114.2112.4170.4-50.7179.9000108.1V13 V14 V15 V16 A25 L29 V282 V305 I308V13-I105 HydrophobicContact CG1-CD1 4.12Å; V13-I105 HydrophobicContact CG1-CG1 4.16Å; V14-I105 PolarHBondContact O-N 3.02Å; V15-I105 WeakPolarHBondContact CA-O 3.35Å; V15-I105 HydrophobicContact CG1-CB 4.49Å; V15-I105 HydrophobicContact CG2-CB 4.36Å; V15-I105 HydrophobicContact CG2-CD1 4.27Å; V16-I105 PolarHBondContact N-O 3.42Å; A25-I105 HydrophobicContact CB-CD1 4Å; L29-I105 HydrophobicContact CD1-CD1 4.39Å; I105-V282 HydrophobicContact CG2-CB 4.16Å; I105-V282 HydrophobicContact CG2-CG2 3.7Å; I105-V305 HydrophobicContact CD1-CG2 3.88Å; I105-I308 HydrophobicContact CD1-CD1 3.76Å; I105-I308 HydrophobicContact CG1-CD1 3.86Å
106L98.9Very high97.3Very high0 Ų034.7 Ų34.70%019%0.193CC..EExtended strand (participates in β ladder)trans-89110.5176.1-65173.7000109.4V16 V84 L104 Y251 L255 L265 I279 F280 A281 V282 C285V16-L106 HydrophobicContact CB-CD2 4.02Å; V16-L106 HydrophobicContact CG2-CD2 4.14Å; V84-L106 HydrophobicContact CG2-CD2 3.96Å; L104-L106 HydrophobicContact CD1-CD2 4.24Å; L104-L106 HydrophobicContact CD2-CD1 4.43Å; L104-L106 HydrophobicContact CD2-CD2 3.93Å; L104-L106 HydrophobicContact CD2-CG 4.12Å; L104-L106 HydrophobicContact CG-CD2 4.06Å; L104-L106 HydrophobicContact CG-CG 4.11Å; L106-Y251 HydrophobicContact CD1-CD1 4.08Å; L106-Y251 HydrophobicContact CD1-CG 4.48Å; L106-L255 HydrophobicContact CD1-CD1 3.9Å; L106-L265 HydrophobicContact CB-CD1 4.31Å; L106-L265 HydrophobicContact CD1-CD1 3.47Å; L106-L265 VanDerWaalsContact CD1-CD1 3.47Å; L106-I279 HydrophobicContact CD1-CG2 3.99Å; L106-I279 HydrophobicContact CG-CG2 4.42Å; L106-F280 PolarHBondContact N-O 3.15Å; L106-A281 WeakPolarHBondContact O-CA 3.26Å; L106-V282 PolarHBondContact O-N 3.33Å; L106-C285 PolarHBondContact O-SG 2.88Å
107C98Very high97.2Very high10 Ų1033.9 Ų33.97%0.06818%0.176CC..  trans-12032.5178.8-65.50000111.1V16 G17 G109V16-C107 CarbonylContact O-C 3.44Å; V16-C107 WeakPolarHBondContact O-CA 3.39Å; V16-C107 WeakPolarHBondContact O-CB 3.37Å; V16-C107 PolarHBondContact O-N 3.2Å; G17-C107 WeakPolarHBondContact O-CB 3.48Å; C107-G109 PolarHBondContact O-N 3.17Å; C107-G109 VanDerWaalsContact O-N 3.08Å
108T97.4Very high97.1Very high22 Ų2227.7 Ų27.714%0.13515%0.153CC..  trans-64-18.9-170.959.60000113.6V16 N247 Y251 C285V16-T108 HydrophobicContact CG1-CG2 3.98Å; V16-T108 PolarHBondContact O-N 2.9Å; T108-N247 VanDerWaalsContact CB-O 3.27Å; T108-N247 WeakPolarHBondContact CB-O 3.32Å; T108-N247 VanDerWaalsContact O-CB 3.29Å; T108-N247 WeakPolarHBondContact O-CB 3.48Å; T108-N247 PolarHBondContact O-ND2 3.19Å; T108-N247 PolarHBondContact OG1-O 2.8Å; T108-Y251 HydrophobicContact CG2-CD1 4.45Å; T108-Y251 HydrophobicContact CG2-CE1 4.22Å; T108-C285 WeakPolarHBondContact OG1-CB 3.22Å
109G96.6Very high96.5Very high17 Ų1725.1 Ų25.118%0.17514%0.142CC..  trans67.8-146.8174.200000112.8C107 N247C107-G109 PolarHBondContact O-N 3.17Å; C107-G109 VanDerWaalsContact O-N 3.08Å; G109-N247 PolarHBondContact O-N 3.22Å
110S95.9Very high96.1Very high4 Ų427.6 Ų27.63%0.02816%0.158CC..EExtended strand (participates in β ladder)trans-135.5152.1179.963.40000111.1K117 N119 R245 D284S110-K117 PolarHBondContact O-NZ 2.79Å; S110-K117 PolarHBondContact OG-NZ 3.02Å; S110-N119 PolarHBondContact O-ND2 3.25Å; S110-N119 VanDerWaalsContact O-ND2 3.11Å; S110-R245 CarbonylContact C-O 3.59Å; S110-R245 WeakPolarHBondContact CA-O 3.34Å; S110-R245 VanDerWaalsContact CB-O 3.24Å; S110-R245 WeakPolarHBondContact CB-O 3.18Å; S110-D284 WeakPolarHBondContact CB-OD2 3.08Å; S110-D284 PolarHBondContact OG-OD2 3.49Å
111D94.6Very high95.8Very high66 Ų6626.1 Ų26.135%0.35315%0.15SC..EExtended strand (participates in β ladder)trans-107.9164.7174.6-166.132.9000112.5N119 I244 R245 N247D111-N119 VanDerWaalsContact CA-ND2 3.35Å; D111-N119 WeakPolarHBondContact CA-ND2 3.48Å; D111-N119 WeakPolarHBondContact OD1-CB 3.15Å; D111-N119 PolarHBondContact OD1-ND2 3.43Å; D111-I244 CarbonylContact O-C 3.43Å; D111-I244 WeakPolarHBondContact O-CA 3.15Å; D111-R245 PolarHBondContact N-O 2.67Å; D111-R245 PolarHBondContact O-N 3.13Å; D111-N247 WeakPolarHBondContact CB-OD1 3.41Å
112G94.6Very high95.4Very high18 Ų1826.2 Ų26.219%0.18615%0.153CC..  trans174.4-173.3-178.700000111.9
113P95.9Very high95.3Very high36 Ų3626.7 Ų26.723%0.23416%0.157CC..  trans-66.9142.6-177.6-19.231.2000112.9G116 K117 C240 T242P113-G116 PolarHBondContact O-N 3.49Å; P113-K117 PolarHBondContact O-N 3.36Å; P113-C240 HydrophobicContact CB-CB 4.18Å; P113-C240 VanDerWaalsContact CB-O 3.3Å; P113-C240 WeakPolarHBondContact CB-O 3.38Å; P113-C240 HydrophobicContact CG-CB 4.12Å; P113-T242 WeakPolarHBondContact CD-O 3.43Å; P113-T242 WeakPolarHBondContact CG-O 3.45Å
114F97Very high95.2Very high42 Ų4227.6 Ų27.618%0.18416%0.162CC..THydrogen-bonded Turntrans-63.6146.9159.8-176.6-91.4000109.8K117 F118 A130 Y131 M134 N217F114-K117 WeakPolarHBondContact CA-O 3.49Å; F114-F118 AromaticContact CD2-CD2 3.96Å; F114-F118 HydrophobicContact CD2-CD2 3.96Å; F114-F118 HydrophobicContact CE2-CD2 4.03Å; F114-A130 HydrophobicContact CE2-CB 4.46Å; F114-A130 HydrophobicContact CZ-CB 4.46Å; F114-A130 WeakPolarHBondContact CZ-O 3.48Å; F114-Y131 HydrophobicContact CE2-CD1 4.02Å; F114-Y131 HydrophobicContact CE2-CD2 4.23Å; F114-Y131 AromaticContact CE2-CE1 3.67Å; F114-Y131 HydrophobicContact CE2-CE1 3.67Å; F114-Y131 AromaticContact CE2-CE2 3.91Å; F114-Y131 HydrophobicContact CE2-CE2 3.91Å; F114-Y131 HydrophobicContact CE2-CG 4.27Å; F114-Y131 AromaticContact CE2-CZ 3.58Å; F114-Y131 AromaticContact CZ-CD1 3.81Å; F114-Y131 HydrophobicContact CZ-CD1 3.81Å; F114-Y131 AromaticContact CZ-CE1 3.85Å; F114-Y131 HydrophobicContact CZ-CE1 3.85Å; F114-Y131 HydrophobicContact CZ-CG 4.16Å; F114-M134 HydrophobicContact CE1-CB 3.68Å; F114-M134 HydrophobicContact CE1-CG 3.71Å; F114-M134 HydrophobicContact CE1-SD 4.06Å; F114-M134 HydrophobicContact CZ-CB 4.04Å; F114-M134 HydrophobicContact CZ-CG 4.42Å; F114-N217 PolarHBondContact O-ND2 3.17Å; F114-N217 PolarHBondContact O-OD1 3.38Å
115P96.7Very high95.1Very high1 Ų132.8 Ų32.81%0.00619%0.186CC..THydrogen-bonded Turncis-84-7.25.431.9-33.8000115.6A51 L52 K117 Y131 M156 I239A51-P115 WeakPolarHBondContact CB-O 3.06Å; L52-P115 HydrophobicContact CD2-CG 4.17Å; P115-K117 VanDerWaalsContact C-N 3.29Å; P115-K117 PolarHBondContact O-N 3.45Å; P115-Y131 HydrophobicContact CB-CD1 4.49Å; P115-Y131 HydrophobicContact CB-CE1 3.82Å; P115-Y131 PolarHBondContact O-OH 3.48Å; P115-M156 HydrophobicContact CG-SD 3.93Å; P115-I239 HydrophobicContact CG-CG2 4.29Å
116G94.9Very high95Very high13 Ų1337 Ų3713%0.13421%0.208CC..THydrogen-bonded Turntrans-68.6-25.5-176.200000114.6P113P113-G116 PolarHBondContact O-N 3.49Å
117K94.6Very high95Very high32 Ų3237 Ų3714%0.13921%0.208CC..  trans-131.4143.8175.5-65.7-70.8-172.8154.40110S110 P113 F114 P115 I244 D284S110-K117 PolarHBondContact O-NZ 2.79Å; S110-K117 PolarHBondContact OG-NZ 3.02Å; P113-K117 PolarHBondContact O-N 3.36Å; F114-K117 WeakPolarHBondContact CA-O 3.49Å; P115-K117 VanDerWaalsContact C-N 3.29Å; P115-K117 PolarHBondContact O-N 3.45Å; K117-I244 HydrophobicContact CG-CD1 4.13Å; K117-D284 IonicContact NZ-OD2 2.79Å
118F94.6Very high95Very high18 Ų1836.7 Ų36.78%0.07921%0.206CC..  trans-138.983.1176.1-175.7-100.4000108.3R42 F65 F114 T120 A122 G127 A130 Y131R42-F118 PolarHBondContact NH1-O 2.99Å; F65-F118 HydrophobicContact CE1-CD1 4.09Å; F65-F118 HydrophobicContact CE1-CE1 4.33Å; F65-F118 HydrophobicContact CZ-CD1 4.18Å; F65-F118 HydrophobicContact CZ-CE1 4.44Å; F114-F118 AromaticContact CD2-CD2 3.96Å; F114-F118 HydrophobicContact CD2-CD2 3.96Å; F114-F118 HydrophobicContact CE2-CD2 4.03Å; F118-T120 WeakPolarHBondContact CE2-OG1 3.24Å; F118-T120 WeakPolarHBondContact CZ-OG1 3.26Å; F118-A122 HydrophobicContact CE1-CB 3.76Å; F118-A122 HydrophobicContact CZ-CB 3.67Å; F118-G127 VanDerWaalsContact CZ-CA 3.44Å; F118-A130 HydrophobicContact CE2-CB 3.91Å; F118-Y131 HydrophobicContact CB-CE2 4.43Å
119N87.8Confident95Very high34 Ų3438.4 Ų38.418%0.18222%0.217CC..  trans-112.943.9-175.2-63.9-39.7000111.7R42 S110 D111R42-N119 PolarHBondContact NH1-OD1 3.24Å; S110-N119 PolarHBondContact O-ND2 3.25Å; S110-N119 VanDerWaalsContact O-ND2 3.11Å; D111-N119 VanDerWaalsContact CA-ND2 3.35Å; D111-N119 WeakPolarHBondContact CA-ND2 3.48Å; D111-N119 WeakPolarHBondContact OD1-CB 3.15Å; D111-N119 PolarHBondContact OD1-ND2 3.43Å
120T89.8Confident95.1Very high70 Ų7039 Ų3943%0.42922%0.22SC..SBendtrans-102.6146177.251.10000110.1L41 F118 A122L41-T120 WeakPolarHBondContact CD1-O 3.36Å; F118-T120 WeakPolarHBondContact CE2-OG1 3.24Å; F118-T120 WeakPolarHBondContact CZ-OG1 3.26Å; T120-A122 PolarHBondContact O-N 2.89Å
121E90.9Very high95.2Very high109 Ų10938.8 Ų38.851%0.50922%0.219SC..SBendtrans-69.3103.5172.1-175.3174.4172.800107.8L41 R80 Q94L41-E121 HydrophobicContact CD1-CB 4.32Å; R80-E121 IonicContact NE-OE2 2.83Å; Q94-E121 PolarHBondContact OE1-OE2 3.49Å
122A90.6Very high95.4Very high11 Ų1138.2 Ų38.29%0.09121%0.214CC..  trans-155146.8-16500000108.6F118 T120 D126F118-A122 HydrophobicContact CE1-CB 3.76Å; F118-A122 HydrophobicContact CZ-CB 3.67Å; T120-A122 PolarHBondContact O-N 2.89Å; A122-D126 HydrophobicContact CB-CB 3.94Å
123S95.9Very high95.6Very high38 Ų3842.2 Ų42.227%0.26623%0.231SC..  trans-72.3166.2168.568.90000110.9D43 Q125 D126 G127D43-S123 VanDerWaalsContact OD2-CA 3.24Å; D43-S123 WeakPolarHBondContact OD2-CA 3.07Å; D43-S123 WeakPolarHBondContact OD2-CB 3.36Å; S123-Q125 PolarHBondContact O-N 3.05Å; S123-Q125 PolarHBondContact OG-N 2.85Å; S123-D126 WeakPolarHBondContact CB-OD2 3.27Å; S123-D126 PolarHBondContact N-OD2 3.26Å; S123-D126 PolarHBondContact O-N 2.93Å; S123-D126 PolarHBondContact OG-N 2.89Å; S123-D126 VanDerWaalsContact OG-N 3.13Å; S123-D126 PolarHBondContact OG-OD2 2.95Å; S123-G127 PolarHBondContact O-N 3.42Å
124L96.4Very high95.7Very high39 Ų3940.7 Ų40.720%0.20422%0.221CC..Hα-helixtrans-52-45.2170.3179.5151000110.7D43 F65 P67 D126 G127 V128D43-L124 VanDerWaalsContact CG-N 3.3Å; D43-L124 PolarHBondContact OD1-N 2.94Å; D43-L124 PolarHBondContact OD2-N 3.29Å; F65-L124 HydrophobicContact CB-CD1 3.63Å; F65-L124 HydrophobicContact CB-CD2 4.46Å; F65-L124 HydrophobicContact CB-CG 3.56Å; F65-L124 HydrophobicContact CG-CG 4.26Å; P67-L124 HydrophobicContact CG-CD1 3.8Å; L124-D126 PolarHBondContact O-N 2.74Å; L124-G127 PolarHBondContact O-N 3.14Å; L124-V128 HydrophobicContact CD2-CG2 3.94Å; L124-V128 WeakPolarHBondContact O-CG2 3.17Å; L124-V128 PolarHBondContact O-N 2.84Å
125Q97.2Very high95.8Very high109 Ų10938.8 Ų38.851%0.50921%0.213SC..Hα-helixtrans-68.1-36.4-176.6-171.857.948.700111.9S123 G127 V128 T129S123-Q125 PolarHBondContact O-N 3.05Å; S123-Q125 PolarHBondContact OG-N 2.85Å; Q125-G127 VanDerWaalsContact C-N 3.33Å; Q125-V128 PolarHBondContact O-N 3.33Å; Q125-T129 WeakPolarHBondContact O-CB 3.41Å; Q125-T129 PolarHBondContact O-N 2.99Å; Q125-T129 PolarHBondContact O-OG1 2.84Å
126D97.5Very high95.9Very high87 Ų8740.2 Ų40.247%0.46523%0.227SC..Hα-helixtrans-63.7-42173.4-60.5-41.5000110.7A122 S123 L124 T129 A130A122-D126 HydrophobicContact CB-CB 3.94Å; S123-D126 WeakPolarHBondContact CB-OD2 3.27Å; S123-D126 PolarHBondContact N-OD2 3.26Å; S123-D126 PolarHBondContact O-N 2.93Å; S123-D126 PolarHBondContact OG-N 2.89Å; S123-D126 VanDerWaalsContact OG-N 3.13Å; S123-D126 PolarHBondContact OG-OD2 2.95Å; L124-D126 PolarHBondContact O-N 2.74Å; D126-T129 PolarHBondContact O-N 2.82Å; D126-A130 WeakPolarHBondContact O-CB 3.33Å; D126-A130 PolarHBondContact O-N 3.4Å
127G97.5Very high96.1Very high0 Ų042.5 Ų42.50%023%0.234CC..Hα-helixtrans-60.4-49.3174.400000112.6F118 S123 L124 Q125 T129 A130 Y131F118-G127 VanDerWaalsContact CZ-CA 3.44Å; S123-G127 PolarHBondContact O-N 3.42Å; L124-G127 PolarHBondContact O-N 3.14Å; Q125-G127 VanDerWaalsContact C-N 3.33Å; G127-T129 VanDerWaalsContact C-N 3.33Å; G127-T129 PolarHBondContact O-N 2.94Å; G127-A130 PolarHBondContact O-N 3.04Å; G127-Y131 VanDerWaalsContact O-CD2 3.27Å; G127-Y131 WeakPolarHBondContact O-CD2 3.24Å; G127-Y131 PolarHBondContact O-N 3.28Å
128V98.1Very high96.3Very high4 Ų441 Ų412%0.02423%0.228CC..Hα-helixtrans-56.9-48.7175.1170.10000110.4A61 Q62 F65 L124 Q125 A130 Y131 E132A61-V128 HydrophobicContact CB-CG1 4.28Å; Q62-V128 HydrophobicContact CG-CG1 3.8Å; Q62-V128 HydrophobicContact CG-CG2 4.25Å; F65-V128 HydrophobicContact CD2-CG2 3.87Å; F65-V128 HydrophobicContact CE2-CG2 4.34Å; L124-V128 HydrophobicContact CD2-CG2 3.94Å; L124-V128 WeakPolarHBondContact O-CG2 3.17Å; L124-V128 PolarHBondContact O-N 2.84Å; Q125-V128 PolarHBondContact O-N 3.33Å; V128-A130 VanDerWaalsContact C-N 3.35Å; V128-A130 PolarHBondContact O-N 3.29Å; V128-Y131 PolarHBondContact O-N 2.78Å; V128-Y131 VanDerWaalsContact O-N 3.17Å; V128-E132 HydrophobicContact CG1-CG 4.32Å; V128-E132 WeakPolarHBondContact O-CG 3.45Å; V128-E132 PolarHBondContact O-N 3.24Å
129T98.4Very high96.5Very high58 Ų5844.8 Ų44.836%0.35625%0.246SC..Hα-helixtrans-60.2-43.7-179.4-54.60000111.5Q125 D126 G127 Y131 E132 D133Q125-T129 WeakPolarHBondContact O-CB 3.41Å; Q125-T129 PolarHBondContact O-N 2.99Å; Q125-T129 PolarHBondContact O-OG1 2.84Å; D126-T129 PolarHBondContact O-N 2.82Å; G127-T129 VanDerWaalsContact C-N 3.33Å; G127-T129 PolarHBondContact O-N 2.94Å; T129-Y131 VanDerWaalsContact C-N 3.29Å; T129-Y131 PolarHBondContact O-N 2.86Å; T129-E132 PolarHBondContact O-N 3.37Å; T129-D133 WeakPolarHBondContact O-CB 3.21Å; T129-D133 VanDerWaalsContact O-CG 3.32Å; T129-D133 PolarHBondContact O-N 3.04Å
130A98.3Very high97Very high29 Ų2945.9 Ų45.924%0.2426%0.26CS..Hα-helixtrans-60.6-36.6177.600000113.1F114 F118 D126 G127 V128 M134F114-A130 HydrophobicContact CE2-CB 4.46Å; F114-A130 HydrophobicContact CZ-CB 4.46Å; F114-A130 WeakPolarHBondContact CZ-O 3.48Å; F118-A130 HydrophobicContact CE2-CB 3.91Å; D126-A130 WeakPolarHBondContact O-CB 3.33Å; D126-A130 PolarHBondContact O-N 3.4Å; G127-A130 PolarHBondContact O-N 3.04Å; V128-A130 VanDerWaalsContact C-N 3.35Å; V128-A130 PolarHBondContact O-N 3.29Å; A130-M134 PolarHBondContact O-N 3.46Å; A130-M134 VanDerWaalsContact O-N 3.16Å
131Y98.6Very high97.4Very high0 Ų042.5 Ų42.50%024%0.239CC..Hα-helixtrans-72.7-41.1174.6-81.7-73.4000112.5H46 A51 A54 A61 F65 F114 P115 F118 G127 V128 T129 D133 M134 V135H46-Y131 AromaticContact CE1-CE2 3.85Å; H46-Y131 AromaticContact CE1-CZ 3.79Å; H46-Y131 PolarHBondContact CE1-OH 3.08Å; H46-Y131 AromaticContact NE2-CE2 3.72Å; H46-Y131 AromaticContact NE2-CZ 3.82Å; A51-Y131 HydrophobicContact CB-CE1 4.06Å; A51-Y131 WeakPolarHBondContact CB-OH 3.15Å; A51-Y131 WeakPolarHBondContact O-CE1 3.27Å; A54-Y131 HydrophobicContact CB-CD1 3.74Å; A54-Y131 HydrophobicContact CB-CE1 4.24Å; A54-Y131 HydrophobicContact CB-CG 3.94Å; A61-Y131 HydrophobicContact CB-CG 4.26Å; F65-Y131 AromaticContact CE2-CD2 3.79Å; F65-Y131 HydrophobicContact CE2-CD2 3.79Å; F65-Y131 AromaticContact CE2-CE2 4Å; F65-Y131 HydrophobicContact CE2-CE2 4Å; F65-Y131 AromaticContact CZ-CD2 3.98Å; F65-Y131 HydrophobicContact CZ-CD2 3.98Å; F65-Y131 AromaticContact CZ-CE2 3.81Å; F65-Y131 HydrophobicContact CZ-CE2 3.81Å; F114-Y131 HydrophobicContact CE2-CD1 4.02Å; F114-Y131 HydrophobicContact CE2-CD2 4.23Å; F114-Y131 AromaticContact CE2-CE1 3.67Å; F114-Y131 HydrophobicContact CE2-CE1 3.67Å; F114-Y131 AromaticContact CE2-CE2 3.91Å; F114-Y131 HydrophobicContact CE2-CE2 3.91Å; F114-Y131 HydrophobicContact CE2-CG 4.27Å; F114-Y131 AromaticContact CE2-CZ 3.58Å; F114-Y131 AromaticContact CZ-CD1 3.81Å; F114-Y131 HydrophobicContact CZ-CD1 3.81Å; F114-Y131 AromaticContact CZ-CE1 3.85Å; F114-Y131 HydrophobicContact CZ-CE1 3.85Å; F114-Y131 HydrophobicContact CZ-CG 4.16Å; P115-Y131 HydrophobicContact CB-CD1 4.49Å; P115-Y131 HydrophobicContact CB-CE1 3.82Å; P115-Y131 PolarHBondContact O-OH 3.48Å; F118-Y131 HydrophobicContact CB-CE2 4.43Å; G127-Y131 VanDerWaalsContact O-CD2 3.27Å; G127-Y131 WeakPolarHBondContact O-CD2 3.24Å; G127-Y131 PolarHBondContact O-N 3.28Å; V128-Y131 PolarHBondContact O-N 2.78Å; V128-Y131 VanDerWaalsContact O-N 3.17Å; T129-Y131 VanDerWaalsContact C-N 3.29Å; T129-Y131 PolarHBondContact O-N 2.86Å; Y131-D133 VanDerWaalsContact C-N 3.33Å; Y131-D133 PolarHBondContact O-N 2.74Å; Y131-M134 WeakPolarHBondContact O-CB 3.41Å; Y131-M134 PolarHBondContact O-N 3.11Å; Y131-M134 VanDerWaalsContact O-N 3.17Å; Y131-V135 WeakPolarHBondContact O-CG2 3.24Å; Y131-V135 PolarHBondContact O-N 3.01Å
132E98.5Very high97.7Very high55 Ų5542.7 Ų42.726%0.25724%0.244SC..Hα-helixtrans-64.7-37174.8-62.6-57.3148.200112G59 V128 T129 M134 V135 G136G59-E132 WeakPolarHBondContact CA-OE1 3.5Å; G59-E132 VanDerWaalsContact N-CD 3.34Å; G59-E132 PolarHBondContact N-OE1 3.31Å; G59-E132 PolarHBondContact N-OE2 3.28Å; V128-E132 HydrophobicContact CG1-CG 4.32Å; V128-E132 WeakPolarHBondContact O-CG 3.45Å; V128-E132 PolarHBondContact O-N 3.24Å; T129-E132 PolarHBondContact O-N 3.37Å; E132-M134 VanDerWaalsContact C-N 3.3Å; E132-M134 PolarHBondContact O-N 2.84Å; E132-V135 WeakPolarHBondContact O-CB 3.39Å; E132-V135 PolarHBondContact O-N 3.13Å; E132-G136 PolarHBondContact O-N 3.02Å
133D98.5Very high98.1Very high101 Ų10143 Ų4354%0.5425%0.245SC..Hα-helixtrans-61.1-41.6172.4-75.5-18.6000110.9T129 Y131 G136 Q137T129-D133 WeakPolarHBondContact O-CB 3.21Å; T129-D133 VanDerWaalsContact O-CG 3.32Å; T129-D133 PolarHBondContact O-N 3.04Å; Y131-D133 VanDerWaalsContact C-N 3.33Å; Y131-D133 PolarHBondContact O-N 2.74Å; D133-G136 WeakPolarHBondContact O-CA 3.47Å; D133-G136 PolarHBondContact O-N 3Å; D133-G136 VanDerWaalsContact O-N 3.16Å; D133-Q137 WeakPolarHBondContact O-CG 3.49Å; D133-Q137 PolarHBondContact O-N 3.17Å
134M98.6Very high98.3Very high4 Ų441.2 Ų41.22%0.0223%0.232CC..Hα-helixtrans-65.4-38.6176.3-169.260.1-167.900112.7F114 A130 Y131 E132 G136 Q137 I138 N217 L237 I239F114-M134 HydrophobicContact CE1-CB 3.68Å; F114-M134 HydrophobicContact CE1-CG 3.71Å; F114-M134 HydrophobicContact CE1-SD 4.06Å; F114-M134 HydrophobicContact CZ-CB 4.04Å; F114-M134 HydrophobicContact CZ-CG 4.42Å; A130-M134 PolarHBondContact O-N 3.46Å; A130-M134 VanDerWaalsContact O-N 3.16Å; Y131-M134 WeakPolarHBondContact O-CB 3.41Å; Y131-M134 PolarHBondContact O-N 3.11Å; Y131-M134 VanDerWaalsContact O-N 3.17Å; E132-M134 VanDerWaalsContact C-N 3.3Å; E132-M134 PolarHBondContact O-N 2.84Å; M134-G136 VanDerWaalsContact C-N 3.26Å; M134-G136 PolarHBondContact O-N 2.98Å; M134-Q137 WeakPolarHBondContact O-CB 3.3Å; M134-Q137 PolarHBondContact O-N 2.96Å; M134-Q137 VanDerWaalsContact O-N 3.15Å; M134-Q137 HydrophobicContact SD-CB 4.34Å; M134-I138 HydrophobicContact CE-CD1 4.05Å; M134-I138 HydrophobicContact CE-CG1 3.97Å; M134-I138 HydrophobicContact CG-CD1 4.48Å; M134-I138 WeakPolarHBondContact O-CG1 3.34Å; M134-I138 PolarHBondContact O-N 2.92Å; M134-N217 HydrophobicContact CE-CB 4.09Å; M134-N217 HydrophobicContact SD-CB 3.78Å; M134-L237 HydrophobicContact CE-CD2 4.21Å; M134-I239 HydrophobicContact CE-CD1 3.52Å; M134-I239 HydrophobicContact CE-CG1 3.7Å
135V98.8Very high98.4Very high3 Ų339.4 Ų39.42%0.01822%0.223CC..Hα-helixtrans-55.5-46.9170.8170.80000109.4A54 S55 P58 Y131 E132 Q137 I138 Q139A54-V135 WeakPolarHBondContact O-CG2 3.43Å; S55-V135 VanDerWaalsContact C-CG2 3.47Å; S55-V135 WeakPolarHBondContact O-CA 3.35Å; S55-V135 WeakPolarHBondContact O-CG2 3.37Å; S55-V135 PolarHBondContact O-N 3.38Å; P58-V135 HydrophobicContact CB-CG1 4.26Å; P58-V135 HydrophobicContact CG-CG1 3.69Å; Y131-V135 WeakPolarHBondContact O-CG2 3.24Å; Y131-V135 PolarHBondContact O-N 3.01Å; E132-V135 WeakPolarHBondContact O-CB 3.39Å; E132-V135 PolarHBondContact O-N 3.13Å; V135-Q137 PolarHBondContact O-N 3.37Å; V135-I138 PolarHBondContact O-N 2.91Å; V135-Q139 HydrophobicContact CG1-CG 4.35Å; V135-Q139 WeakPolarHBondContact O-CB 3.37Å; V135-Q139 VanDerWaalsContact O-CG 3.28Å; V135-Q139 WeakPolarHBondContact O-CG 3.21Å; V135-Q139 PolarHBondContact O-N 2.66Å
136G98.7Very high98.5Very high30 Ų3034.2 Ų34.231%0.30920%0.199SC..Hα-helixtrans-59-41.7175.200000113.6E132 D133 M134 Q139 A140E132-G136 PolarHBondContact O-N 3.02Å; D133-G136 WeakPolarHBondContact O-CA 3.47Å; D133-G136 PolarHBondContact O-N 3Å; D133-G136 VanDerWaalsContact O-N 3.16Å; M134-G136 VanDerWaalsContact C-N 3.26Å; M134-G136 PolarHBondContact O-N 2.98Å; G136-Q139 PolarHBondContact O-N 3.06Å; G136-A140 WeakPolarHBondContact O-CB 3.2Å; G136-A140 PolarHBondContact O-N 2.98Å; G136-A140 VanDerWaalsContact O-N 3.08Å
137Q98.8Very high98.5Very high61 Ų6130.6 Ų30.629%0.28518%0.18SC..Hα-helixtrans-61.2-49.5174.5-60.4-56.8-51.900111.1D133 M134 V135 Q139 A140 A141 T219 L237D133-Q137 WeakPolarHBondContact O-CG 3.49Å; D133-Q137 PolarHBondContact O-N 3.17Å; M134-Q137 WeakPolarHBondContact O-CB 3.3Å; M134-Q137 PolarHBondContact O-N 2.96Å; M134-Q137 VanDerWaalsContact O-N 3.15Å; M134-Q137 HydrophobicContact SD-CB 4.34Å; V135-Q137 PolarHBondContact O-N 3.37Å; Q137-Q139 VanDerWaalsContact C-N 3.31Å; Q137-Q139 PolarHBondContact O-N 3.46Å; Q137-A140 PolarHBondContact O-N 3.02Å; Q137-A141 PolarHBondContact O-N 3.07Å; Q137-T219 VanDerWaalsContact C-OG1 3.3Å; Q137-T219 PolarHBondContact O-OG1 3.06Å; Q137-L237 HydrophobicContact CB-CD1 4.49Å
138I98.7Very high98.6Very high0 Ų030.8 Ų30.80%018%0.182CC..Hα-helixtrans-62.6-39.3179.7-66.2-179.4000111.3S55 V56 M134 V135 A141 M156 I160 Y164 K167 L237 I239S55-I138 VanDerWaalsContact O-CD1 3.29Å; S55-I138 WeakPolarHBondContact O-CD1 3.28Å; V56-I138 HydrophobicContact CG1-CD1 3.66Å; M134-I138 HydrophobicContact CE-CD1 4.05Å; M134-I138 HydrophobicContact CE-CG1 3.97Å; M134-I138 HydrophobicContact CG-CD1 4.48Å; M134-I138 WeakPolarHBondContact O-CG1 3.34Å; M134-I138 PolarHBondContact O-N 2.92Å; V135-I138 PolarHBondContact O-N 2.91Å; I138-A141 PolarHBondContact O-N 3.06Å; I138-M156 HydrophobicContact CD1-CE 3.64Å; I138-I160 HydrophobicContact CD1-CG1 4.48Å; I138-I160 HydrophobicContact CG2-CG2 4.48Å; I138-Y164 HydrophobicContact CG2-CD2 3.95Å; I138-Y164 HydrophobicContact CG2-CE2 3.69Å; I138-K167 HydrophobicContact CG2-CD 4.46Å; I138-K167 VanDerWaalsContact O-CE 3.29Å; I138-K167 WeakPolarHBondContact O-CE 3.34Å; I138-K167 PolarHBondContact O-NZ 3.5Å; I138-L237 HydrophobicContact CB-CD2 4.3Å; I138-L237 HydrophobicContact CG1-CD2 3.57Å; I138-I239 HydrophobicContact CD1-CD1 3.98Å; I138-I239 HydrophobicContact CG1-CD1 4.34Å
139Q98.5Very high98.6Very high98 Ų9830.6 Ų30.646%0.45818%0.181SC..Hα-helixtrans-61.1-43.8176.5-76.1177-13.400112.2V135 G136 Q137 A141 Y164 K167V135-Q139 HydrophobicContact CG1-CG 4.35Å; V135-Q139 WeakPolarHBondContact O-CB 3.37Å; V135-Q139 VanDerWaalsContact O-CG 3.28Å; V135-Q139 WeakPolarHBondContact O-CG 3.21Å; V135-Q139 PolarHBondContact O-N 2.66Å; G136-Q139 PolarHBondContact O-N 3.06Å; Q137-Q139 VanDerWaalsContact C-N 3.31Å; Q137-Q139 PolarHBondContact O-N 3.46Å; Q139-A141 VanDerWaalsContact C-N 3.31Å; Q139-A141 PolarHBondContact O-N 2.69Å; Q139-Y164 HydrophobicContact CG-CE1 3.94Å; Q139-Y164 WeakPolarHBondContact CG-OH 3.35Å; Q139-Y164 PolarHBondContact NE2-OH 2.86Å; Q139-K167 PolarHBondContact O-NZ 3.42Å
140A98.4Very high98.5Very high57 Ų5729.1 Ų29.147%0.47118%0.177SC..Hα-helixtrans-72-19.2-178.500000114.9G136 Q137 T219 K221G136-A140 WeakPolarHBondContact O-CB 3.2Å; G136-A140 PolarHBondContact O-N 2.98Å; G136-A140 VanDerWaalsContact O-N 3.08Å; Q137-A140 PolarHBondContact O-N 3.02Å; A140-T219 HydrophobicContact CB-CG2 4.07Å; A140-K221 PolarHBondContact O-NZ 3.46Å
141A98.5Very high98.4Very high0 Ų029 Ų290%018%0.175CC..  trans-85.1132.7-179.300000111.7Q137 I138 Q139 V144 K167 T219 D236 L237Q137-A141 PolarHBondContact O-N 3.07Å; I138-A141 PolarHBondContact O-N 3.06Å; Q139-A141 VanDerWaalsContact C-N 3.31Å; Q139-A141 PolarHBondContact O-N 2.69Å; A141-V144 HydrophobicContact CB-CG2 4.31Å; A141-K167 PolarHBondContact O-NZ 2.97Å; A141-T219 HydrophobicContact CB-CG2 3.91Å; A141-D236 HydrophobicContact CB-CB 3.84Å; A141-L237 HydrophobicContact CB-CB 3.66Å; A141-L237 HydrophobicContact CB-CD2 4.29Å
142D98.2Very high98.3Very high113 Ų11331.4 Ų31.460%0.60419%0.191SC*.SBendtrans-84.4-24.8172.5-61.6-40.3000111.1K167 K168 K221 D236D142-K167 WeakPolarHBondContact O-CG 3.4Å; D142-K168 PolarHBondContact O-N 3.12Å; D142-K168 VanDerWaalsContact O-N 3.17Å; D142-K221 VanDerWaalsContact CG-NZ 3.27Å; D142-K221 IonicContact OD1-NZ 2.77Å; D142-K221 IonicContact OD2-NZ 2.74Å; D142-K221 PolarHBondContact OD2-NZ 3.24Å; D142-D236 WeakPolarHBondContact CB-OD2 3.46Å; D142-D236 PolarHBondContact N-OD2 3.19Å
143S98.8Very high98.3Very high16 Ų1628.8 Ų28.811%0.11218%0.178CC..EExtended strand (participates in β ladder)trans-136.5135.7-179.857.20000112.6K168 T235 D236 L237S143-K168 CarbonylContact C-O 3.15Å; S143-K168 VanDerWaalsContact CA-O 3.3Å; S143-K168 WeakPolarHBondContact CA-O 3.42Å; S143-T235 PolarHBondContact O-OG1 3.26Å; S143-T235 VanDerWaalsContact O-OG1 3.09Å; S143-T235 VanDerWaalsContact OG-CA 3.28Å; S143-T235 WeakPolarHBondContact OG-CA 3.33Å; S143-D236 WeakPolarHBondContact O-CB 3.44Å; S143-D236 PolarHBondContact O-N 2.84Å; S143-D236 PolarHBondContact OG-N 3.47Å; S143-L237 PolarHBondContact O-N 3.3Å; S143-L237 VanDerWaalsContact O-N 3.1Å
144V98.9Very high98.3Very high1 Ų124 Ų241%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-123.7127.2-179.9-171.20000110.6A141 V146 I160 K167 K168 V169 V170 L237 I239A141-V144 HydrophobicContact CB-CG2 4.31Å; V144-V146 HydrophobicContact CG1-CG2 4.44Å; V144-I160 HydrophobicContact CB-CD1 4.32Å; V144-I160 HydrophobicContact CG1-CD1 3.84Å; V144-K167 HydrophobicContact CG2-CD 3.82Å; V144-K168 PolarHBondContact N-O 2.78Å; V144-V169 WeakPolarHBondContact O-CA 3.23Å; V144-V170 PolarHBondContact O-N 3.47Å; V144-L237 CarbonylContact C-O 3.43Å; V144-L237 WeakPolarHBondContact CA-O 3.3Å; V144-L237 HydrophobicContact CG1-CB 4.42Å; V144-L237 HydrophobicContact CG1-CD2 4.31Å; V144-L237 HydrophobicContact CG1-CG 4.33Å; V144-L237 HydrophobicContact CG2-CB 4.33Å; V144-L237 HydrophobicContact CG2-CD2 4.26Å; V144-I239 HydrophobicContact CG1-CD1 3.94Å; V144-I239 HydrophobicContact CG1-CG1 4.1Å
145L98.9Very high98.4Very high1 Ų124.8 Ų24.81%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-97.2118.5168.3-178.569.2000110V147 V170 I172 V208 V225 L233 T235 L237 I238 I239L145-V147 HydrophobicContact CD2-CG2 3.99Å; L145-V147 HydrophobicContact CG-CG2 4.06Å; L145-V170 CarbonylContact C-O 3.55Å; L145-V170 WeakPolarHBondContact CA-O 3.33Å; L145-V170 HydrophobicContact CD1-CB 3.87Å; L145-V170 HydrophobicContact CD1-CG1 3.88Å; L145-I172 HydrophobicContact CD1-CB 4.14Å; L145-I172 HydrophobicContact CD1-CG2 3.71Å; L145-I172 HydrophobicContact CD2-CG2 4.31Å; L145-I172 HydrophobicContact CG-CG2 4.13Å; L145-V208 HydrophobicContact CD2-CG2 4.33Å; L145-V225 HydrophobicContact CD2-CB 4.04Å; L145-V225 HydrophobicContact CD2-CG1 3.64Å; L145-V225 HydrophobicContact CD2-CG2 3.79Å; L145-L233 HydrophobicContact CD1-CD1 4.16Å; L145-T235 HydrophobicContact CB-CG2 3.82Å; L145-T235 PolarHBondContact N-OG1 3.1Å; L145-T235 VanDerWaalsContact N-OG1 3.15Å; L145-L237 PolarHBondContact N-O 2.97Å; L145-I238 HydrophobicContact CB-CG1 4.38Å; L145-I238 HydrophobicContact CD2-CG1 4.5Å; L145-I238 WeakPolarHBondContact O-CA 3.32Å; L145-I239 PolarHBondContact O-N 3.26Å
146V98.9Very high98.4Very high0 Ų024.7 Ų24.70%016%0.155CC..EExtended strand (participates in β ladder)trans-96.3115.8171.2-178.70000109.1V144 M156 A157 I160 V169 V170 L171 I172V144-V146 HydrophobicContact CG1-CG2 4.44Å; V146-M156 HydrophobicContact CG1-CB 4.36Å; V146-M156 HydrophobicContact CG2-CG 4.33Å; V146-A157 HydrophobicContact CG2-CB 4.24Å; V146-I160 HydrophobicContact CG2-CD1 4.06Å; V146-V169 HydrophobicContact CG2-CG1 4.22Å; V146-V170 PolarHBondContact N-O 2.89Å; V146-L171 HydrophobicContact CG1-CD1 4.29Å; V146-L171 WeakPolarHBondContact O-CA 3.34Å; V146-I172 PolarHBondContact O-N 2.88Å
147V98.8Very high98.4Very high12 Ų1223.2 Ų23.27%0.07314%0.141CC..EExtended strand (participates in β ladder)trans-96.3107.3-177.9-1760000109.8L145 I172 V208 L211 I238 I239 C241L145-V147 HydrophobicContact CD2-CG2 3.99Å; L145-V147 HydrophobicContact CG-CG2 4.06Å; V147-I172 HydrophobicContact CB-CG2 4.21Å; V147-I172 HydrophobicContact CG1-CG2 4.23Å; V147-I172 HydrophobicContact CG2-CG2 3.92Å; V147-V208 HydrophobicContact CG1-CG2 4.06Å; V147-V208 HydrophobicContact CG2-CG2 3.92Å; V147-L211 HydrophobicContact CG1-CD2 4.24Å; V147-L211 HydrophobicContact CG2-CD1 4.2Å; V147-I238 HydrophobicContact CG2-CG2 3.81Å; V147-I239 PolarHBondContact N-O 2.82Å; V147-C241 WeakPolarHBondContact O-CA 3.4Å; V147-C241 PolarHBondContact O-N 3.01Å
148G98.4Very high98.4Very high4 Ų420.3 Ų20.34%0.04113%0.127CC..  trans114.1105.617500000114.3G150 G153 I172G148-G150 PolarHBondContact O-N 2.68Å; G148-G150 VanDerWaalsContact O-N 3.09Å; G148-G153 VanDerWaalsContact O-CA 3.28Å; G148-G153 WeakPolarHBondContact O-CA 3.31Å; G148-I172 WeakPolarHBondContact CA-O 3.34Å; G148-I172 PolarHBondContact N-O 3.1Å
149G97.9Very high98.4Very high0 Ų020.7 Ų20.70%013%0.129CC..  trans-79.328.9176.600000117H173 L178 A179G149-H173 PolarHBondContact N-ND1 3.27Å; G149-L178 CarbonylContact O-C 3.53Å; G149-L178 WeakPolarHBondContact O-CA 3.3Å; G149-A179 PolarHBondContact O-N 2.88Å
150G97.1Very high98.4Very high26 Ų2616 Ų1627%0.26811%0.107SC..SBendtrans-74.7-175.4166.700000111.6G148 T152 G153 V154G148-G150 PolarHBondContact O-N 2.68Å; G148-G150 VanDerWaalsContact O-N 3.09Å; G150-T152 VanDerWaalsContact C-N 3.32Å; G150-T152 PolarHBondContact O-N 2.71Å; G150-G153 PolarHBondContact O-N 3.3Å; G150-V154 WeakPolarHBondContact O-CB 3.43Å; G150-V154 WeakPolarHBondContact O-CG2 3.43Å; G150-V154 PolarHBondContact O-N 3.37Å
151A96.1Very high98.4Very high26 Ų2614.4 Ų14.422%0.2159%0.089CC..Hα-helixtrans-49.6-50.9-179.900000112.5G153 V154 E155 L329A151-G153 PolarHBondContact O-N 3.39Å; A151-V154 PolarHBondContact O-N 2.87Å; A151-E155 WeakPolarHBondContact O-CG 3.41Å; A151-E155 PolarHBondContact O-N 2.8Å; A151-L329 HydrophobicContact CB-CD2 3.61Å
152T97.4Very high98.4Very high52 Ų5215.2 Ų15.232%0.3199%0.094SC..Hα-helixtrans-59.8-46.3-179.3-53.70000113.4L52 G150 E155 M156 C241L52-T152 HydrophobicContact CD1-CG2 4.03Å; L52-T152 VanDerWaalsContact CD1-O 3.28Å; L52-T152 WeakPolarHBondContact CD1-O 3.36Å; L52-T152 HydrophobicContact CD2-CG2 3.95Å; G150-T152 VanDerWaalsContact C-N 3.32Å; G150-T152 PolarHBondContact O-N 2.71Å; T152-E155 PolarHBondContact O-N 2.82Å; T152-M156 VanDerWaalsContact O-CB 3.27Å; T152-M156 WeakPolarHBondContact O-CB 3.35Å; T152-M156 PolarHBondContact O-N 2.91Å; T152-C241 HydrophobicContact CG2-CB 4.08Å
153G98.4Very high98.4Very high0 Ų012.2 Ų12.20%08%0.077CC..Hα-helixtrans-74.7-31.4-178.800000113.2G148 G150 A151 M156 A157 L171G148-G153 VanDerWaalsContact O-CA 3.28Å; G148-G153 WeakPolarHBondContact O-CA 3.31Å; G150-G153 PolarHBondContact O-N 3.3Å; A151-G153 PolarHBondContact O-N 3.39Å; G153-M156 PolarHBondContact O-N 3.33Å; G153-A157 WeakPolarHBondContact O-CB 3.38Å; G153-A157 PolarHBondContact O-N 2.88Å; G153-L171 WeakPolarHBondContact O-CD1 3.47Å
154V98.7Very high98.4Very high0 Ų013.4 Ų13.40%08%0.079CC..Hα-helixtrans-61.3-50.1170.7168.70000110.4G150 A151 A158 L178 A191 L195 L329 M331G150-V154 WeakPolarHBondContact O-CB 3.43Å; G150-V154 WeakPolarHBondContact O-CG2 3.43Å; G150-V154 PolarHBondContact O-N 3.37Å; A151-V154 PolarHBondContact O-N 2.87Å; V154-A158 PolarHBondContact O-N 3.18Å; V154-L178 HydrophobicContact CG2-CB 4.06Å; V154-A191 HydrophobicContact CG1-CB 4.26Å; V154-L195 HydrophobicContact CG1-CD1 4.26Å; V154-L195 HydrophobicContact CG2-CD1 4.33Å; V154-L329 HydrophobicContact CG1-CD1 4.35Å; V154-M331 HydrophobicContact CG1-CE 3.79Å; V154-M331 HydrophobicContact CG1-SD 3.68Å
155E98.7Very high98.3Very high21 Ų2117.3 Ų17.310%0.09810%0.104CC..Hα-helixtrans-62.7-45.4176.8-67.2-174.8137.800110.8L52 A151 T152 A157 A158 E159 L329 A330 K354L52-E155 HydrophobicContact CD1-CB 3.59Å; A151-E155 WeakPolarHBondContact O-CG 3.41Å; A151-E155 PolarHBondContact O-N 2.8Å; T152-E155 PolarHBondContact O-N 2.82Å; E155-A157 PolarHBondContact O-N 2.95Å; E155-A158 PolarHBondContact O-N 3.37Å; E155-A158 VanDerWaalsContact O-N 3.16Å; E155-E159 WeakPolarHBondContact O-CG 3.47Å; E155-E159 PolarHBondContact O-N 2.95Å; E155-L329 HydrophobicContact CG-CB 4.19Å; E155-L329 HydrophobicContact CG-CD2 4.24Å; E155-L329 VanDerWaalsContact OE1-CA 3.31Å; E155-L329 WeakPolarHBondContact OE1-CA 3.5Å; E155-A330 WeakPolarHBondContact CA-O 3.37Å; E155-A330 WeakPolarHBondContact CG-O 3.28Å; E155-A330 PolarHBondContact OE1-N 2.98Å; E155-K354 IonicContact OE1-NZ 3.15Å; E155-K354 PolarHBondContact OE1-NZ 3.24Å
156M98.8Very high98.3Very high0 Ų025.1 Ų25.10%015%0.146CC..Hα-helixtrans-58.4-48-179.6-172.673.1-139.900112.3L52 S55 V56 P115 I138 V146 T152 G153 A158 E159 I160 I239L52-M156 HydrophobicContact CB-SD 4.04Å; L52-M156 HydrophobicContact CD1-CB 4.22Å; L52-M156 HydrophobicContact CD2-CB 4.45Å; L52-M156 HydrophobicContact CD2-SD 3.75Å; L52-M156 HydrophobicContact CG-SD 4.37Å; S55-M156 WeakPolarHBondContact OG-CE 3.41Å; V56-M156 HydrophobicContact CG1-CE 3.5Å; V56-M156 VanDerWaalsContact CG1-CE 3.5Å; P115-M156 HydrophobicContact CG-SD 3.93Å; I138-M156 HydrophobicContact CD1-CE 3.64Å; V146-M156 HydrophobicContact CG1-CB 4.36Å; V146-M156 HydrophobicContact CG2-CG 4.33Å; T152-M156 VanDerWaalsContact O-CB 3.27Å; T152-M156 WeakPolarHBondContact O-CB 3.35Å; T152-M156 PolarHBondContact O-N 2.91Å; G153-M156 PolarHBondContact O-N 3.33Å; M156-A158 VanDerWaalsContact C-N 3.28Å; M156-A158 PolarHBondContact O-N 3.06Å; M156-E159 PolarHBondContact O-N 3.17Å; M156-I160 HydrophobicContact CE-CD1 3.71Å; M156-I160 HydrophobicContact CE-CG1 3.59Å; M156-I160 HydrophobicContact CG-CD1 4.11Å; M156-I160 VanDerWaalsContact O-CG1 3.32Å; M156-I160 WeakPolarHBondContact O-CG1 3.21Å; M156-I160 PolarHBondContact O-N 2.78Å; M156-I239 HydrophobicContact CE-CD1 3.63Å; M156-I239 HydrophobicContact CG-CD1 4.3Å; M156-I239 HydrophobicContact CG-CG2 4.17Å; M156-I239 HydrophobicContact SD-CD1 4.33Å; M156-I239 HydrophobicContact SD-CG2 4.43Å
157A98.9Very high98.2Very high0 Ų026.2 Ų26.20%015%0.151CC..Hα-helixtrans-61.8-39178.800000111.7V146 G153 E155 K161 V169 L171 L195 V200V146-A157 HydrophobicContact CG2-CB 4.24Å; G153-A157 WeakPolarHBondContact O-CB 3.38Å; G153-A157 PolarHBondContact O-N 2.88Å; E155-A157 PolarHBondContact O-N 2.95Å; A157-K161 PolarHBondContact O-N 2.87Å; A157-K161 VanDerWaalsContact O-N 3.14Å; A157-V169 HydrophobicContact CB-CG1 4.07Å; A157-L171 HydrophobicContact CB-CD1 3.94Å; A157-L195 HydrophobicContact CB-CD2 4.16Å; A157-V200 HydrophobicContact CB-CG1 4.2Å; A157-V200 HydrophobicContact CB-CG2 4.2Å
158A98.8Very high98.2Very high0 Ų030.3 Ų30.30%017%0.168CC..Hα-helixtrans-70.3-40.7177.400000112.6V154 E155 M156 K161 T162 L195 K198 M331V154-A158 PolarHBondContact O-N 3.18Å; E155-A158 PolarHBondContact O-N 3.37Å; E155-A158 VanDerWaalsContact O-N 3.16Å; M156-A158 VanDerWaalsContact C-N 3.28Å; M156-A158 PolarHBondContact O-N 3.06Å; A158-K161 PolarHBondContact O-N 2.85Å; A158-T162 VanDerWaalsContact O-CB 3.28Å; A158-T162 WeakPolarHBondContact O-CB 3.39Å; A158-T162 PolarHBondContact O-N 3.02Å; A158-T162 PolarHBondContact O-OG1 2.87Å; A158-L195 HydrophobicContact CB-CD2 3.9Å; A158-K198 HydrophobicContact CB-CD 4.42Å; A158-M331 VanDerWaalsContact CB-C 3.46Å; A158-M331 HydrophobicContact CB-CB 4.17Å; A158-M331 HydrophobicContact CB-CE 4.08Å; A158-M331 HydrophobicContact CB-SD 4.42Å
159E98.7Very high98.3Very high8 Ų830.1 Ų30.14%0.03717%0.166CC..Hα-helixtrans-59.6-47174.7-70.6-59.2149.700111L52 R53 V56 E155 M156 K161 T162 E163 G332L52-E159 HydrophobicContact CB-CG 4.29Å; R53-E159 IonicContact CZ-OE1 3.24Å; R53-E159 IonicContact CZ-OE2 3.02Å; R53-E159 IonicContact NE-OE1 3.73Å; R53-E159 IonicContact NE-OE2 3.97Å; R53-E159 PolarHBondContact NE-OE2 3.49Å; R53-E159 IonicContact NH2-OE1 3.09Å; R53-E159 PolarHBondContact NH2-OE1 2.77Å; R53-E159 IonicContact NH2-OE2 3.04Å; R53-E159 PolarHBondContact NH2-OE2 3.48Å; V56-E159 HydrophobicContact CG1-CB 4.38Å; V56-E159 HydrophobicContact CG2-CB 3.99Å; E155-E159 WeakPolarHBondContact O-CG 3.47Å; E155-E159 PolarHBondContact O-N 2.95Å; M156-E159 PolarHBondContact O-N 3.17Å; E159-K161 PolarHBondContact O-N 3.35Å; E159-T162 PolarHBondContact O-N 2.83Å; E159-E163 PolarHBondContact O-N 2.81Å; E159-G332 WeakPolarHBondContact OE1-CA 3.45Å
160I98.8Very high98.3Very high0 Ų030.7 Ų30.70%017%0.169CC..Hα-helixtrans-60.4-50177.8-62.2160.3000110.8V56 I138 V144 V146 M156 T162 E163 Y164 K167 V169 I239V56-I160 HydrophobicContact CG1-CG1 3.82Å; I138-I160 HydrophobicContact CD1-CG1 4.48Å; I138-I160 HydrophobicContact CG2-CG2 4.48Å; V144-I160 HydrophobicContact CB-CD1 4.32Å; V144-I160 HydrophobicContact CG1-CD1 3.84Å; V146-I160 HydrophobicContact CG2-CD1 4.06Å; M156-I160 HydrophobicContact CE-CD1 3.71Å; M156-I160 HydrophobicContact CE-CG1 3.59Å; M156-I160 HydrophobicContact CG-CD1 4.11Å; M156-I160 VanDerWaalsContact O-CG1 3.32Å; M156-I160 WeakPolarHBondContact O-CG1 3.21Å; M156-I160 PolarHBondContact O-N 2.78Å; I160-T162 PolarHBondContact O-N 2.79Å; I160-E163 PolarHBondContact O-N 3.22Å; I160-Y164 HydrophobicContact CG2-CD2 4.41Å; I160-Y164 WeakPolarHBondContact O-CA 3.5Å; I160-Y164 PolarHBondContact O-N 3.42Å; I160-K167 HydrophobicContact CG2-CD 4.06Å; I160-V169 HydrophobicContact CB-CG2 4.11Å; I160-V169 HydrophobicContact CG2-CG2 3.51Å; I160-I239 HydrophobicContact CD1-CD1 4.13Å
161K98.6Very high98.4Very high23 Ų2329.4 Ų29.410%0.116%0.156CC..Hα-helixtrans-67.2-24.8-179.2-72.8-59.6-63.5-173.80113.5A157 A158 E159 P165 K167 V169 K198 V200A157-K161 PolarHBondContact O-N 2.87Å; A157-K161 VanDerWaalsContact O-N 3.14Å; A158-K161 PolarHBondContact O-N 2.85Å; E159-K161 PolarHBondContact O-N 3.35Å; K161-P165 WeakPolarHBondContact CE-O 3.49Å; K161-P165 PolarHBondContact NZ-O 3.39Å; K161-P165 VanDerWaalsContact O-CA 3.32Å; K161-P165 WeakPolarHBondContact O-CA 3.35Å; K161-K167 WeakPolarHBondContact CD-O 3.38Å; K161-K167 PolarHBondContact NZ-O 3.08Å; K161-V169 HydrophobicContact CD-CB 3.83Å; K161-V169 HydrophobicContact CD-CG2 3.49Å; K161-V169 VanDerWaalsContact CD-CG2 3.49Å; K161-V169 HydrophobicContact CG-CB 4.05Å; K161-V169 HydrophobicContact CG-CG2 3.88Å; K161-K198 HydrophobicContact CB-CB 4.09Å; K161-K198 WeakPolarHBondContact CE-O 3.34Å; K161-V200 HydrophobicContact CB-CG2 4.47Å; K161-V200 HydrophobicContact CD-CG2 4.49Å; K161-V200 HydrophobicContact CG-CG2 3.52Å
162T98.3Very high98.5Very high17 Ų1728.3 Ų28.310%0.10415%0.147CC..Hα-helixtrans-78.8-35.4177.8-56.60000111.8A158 E159 I160 K198 G332 R333 D334A158-T162 VanDerWaalsContact O-CB 3.28Å; A158-T162 WeakPolarHBondContact O-CB 3.39Å; A158-T162 PolarHBondContact O-N 3.02Å; A158-T162 PolarHBondContact O-OG1 2.87Å; E159-T162 PolarHBondContact O-N 2.83Å; I160-T162 PolarHBondContact O-N 2.79Å; T162-K198 PolarHBondContact OG1-NZ 3.21Å; T162-G332 WeakPolarHBondContact OG1-CA 3.31Å; T162-R333 HydrophobicContact CG2-CG 3.88Å; T162-D334 WeakPolarHBondContact CG2-OD1 3.48Å
163E98.3Very high98.6Very high50 Ų5026.9 Ų26.923%0.23414%0.136CC..Hα-helixtrans-84.6-33.7177-165.863.3-167.700112.4V56 E159 I160 R333V56-E163 HydrophobicContact CB-CB 4.41Å; V56-E163 HydrophobicContact CG2-CB 4.28Å; E159-E163 PolarHBondContact O-N 2.81Å; I160-E163 PolarHBondContact O-N 3.22Å; E163-R333 IonicContact OE2-CZ 3.93Å; E163-R333 IonicContact OE2-NH1 3.75Å; E163-R333 PolarHBondContact OE2-NH1 2.8Å; E163-R333 IonicContact OE2-NH2 2.71Å; E163-R333 PolarHBondContact OE2-NH2 3.41Å
164Y98.3Very high98.5Very high41 Ų4129.3 Ų29.316%0.16115%0.154CC..  trans-12877.8-179.6-50.8-78.3000111.3V56 I138 Q139 I160 D166 K167V56-Y164 HydrophobicContact CB-CE2 4.32Å; V56-Y164 PolarHBondContact O-OH 2.83Å; I138-Y164 HydrophobicContact CG2-CD2 3.95Å; I138-Y164 HydrophobicContact CG2-CE2 3.69Å; Q139-Y164 HydrophobicContact CG-CE1 3.94Å; Q139-Y164 WeakPolarHBondContact CG-OH 3.35Å; Q139-Y164 PolarHBondContact NE2-OH 2.86Å; I160-Y164 HydrophobicContact CG2-CD2 4.41Å; I160-Y164 WeakPolarHBondContact O-CA 3.5Å; I160-Y164 PolarHBondContact O-N 3.42Å; Y164-D166 VanDerWaalsContact C-N 3.26Å; Y164-D166 PolarHBondContact O-N 2.71Å; Y164-K167 VanDerWaalsContact CG-CE 3.48Å; Y164-K167 WeakPolarHBondContact O-CB 3.43Å; Y164-K167 PolarHBondContact O-N 2.74Å; Y164-K167 VanDerWaalsContact O-N 3.11Å
165P97.9Very high98.4Very high83 Ų8336.6 Ų36.654%0.53918%0.181SC..THydrogen-bonded Turntrans-58.1-31.7-173.9-27.236.2000115K161K161-P165 WeakPolarHBondContact CE-O 3.49Å; K161-P165 PolarHBondContact NZ-O 3.39Å; K161-P165 VanDerWaalsContact O-CA 3.32Å; K161-P165 WeakPolarHBondContact O-CA 3.35Å
166D97.9Very high98.3Very high165 Ų16541.1 Ų41.188%0.88221%0.205SC*.THydrogen-bonded Turntrans-86.7-11.3-177.6-57.9-44.5000113.4Y164Y164-D166 VanDerWaalsContact C-N 3.26Å; Y164-D166 PolarHBondContact O-N 2.71Å
167K98.2Very high98.2Very high23 Ų2342.4 Ų42.410%0.122%0.218CC..SBendtrans-70.8138-177.3-161.1177.5-62-80.30110.4I138 Q139 A141 D142 V144 I160 K161 Y164 V169I138-K167 HydrophobicContact CG2-CD 4.46Å; I138-K167 VanDerWaalsContact O-CE 3.29Å; I138-K167 WeakPolarHBondContact O-CE 3.34Å; I138-K167 PolarHBondContact O-NZ 3.5Å; Q139-K167 PolarHBondContact O-NZ 3.42Å; A141-K167 PolarHBondContact O-NZ 2.97Å; D142-K167 WeakPolarHBondContact O-CG 3.4Å; V144-K167 HydrophobicContact CG2-CD 3.82Å; I160-K167 HydrophobicContact CG2-CD 4.06Å; K161-K167 WeakPolarHBondContact CD-O 3.38Å; K161-K167 PolarHBondContact NZ-O 3.08Å; Y164-K167 VanDerWaalsContact CG-CE 3.48Å; Y164-K167 WeakPolarHBondContact O-CB 3.43Å; Y164-K167 PolarHBondContact O-N 2.74Å; Y164-K167 VanDerWaalsContact O-N 3.11Å; K167-V169 PolarHBondContact O-N 3.23Å
168K98.8Very high98.1Very high98 Ų9842.6 Ų42.643%0.42622%0.219SC..EExtended strand (participates in β ladder)trans-73123.1174.7-176.9179.2-177.7-177.20109.1D142 S143 V144 E201D142-K168 PolarHBondContact O-N 3.12Å; D142-K168 VanDerWaalsContact O-N 3.17Å; S143-K168 CarbonylContact C-O 3.15Å; S143-K168 VanDerWaalsContact CA-O 3.3Å; S143-K168 WeakPolarHBondContact CA-O 3.42Å; V144-K168 PolarHBondContact N-O 2.78Å; K168-E201 VanDerWaalsContact CE-OE1 3.27Å; K168-E201 WeakPolarHBondContact CE-OE1 3.21Å; K168-E201 WeakPolarHBondContact CE-OE2 3.4Å; K168-E201 IonicContact NZ-OE2 3.88Å
169V98.9Very high98Very high0 Ų042.9 Ų42.90%022%0.221CC..EExtended strand (participates in β ladder)trans-127123176.6-178.10000109V144 V146 A157 I160 K161 K167 V200 E201V144-V169 WeakPolarHBondContact O-CA 3.23Å; V146-V169 HydrophobicContact CG2-CG1 4.22Å; A157-V169 HydrophobicContact CB-CG1 4.07Å; I160-V169 HydrophobicContact CB-CG2 4.11Å; I160-V169 HydrophobicContact CG2-CG2 3.51Å; K161-V169 HydrophobicContact CD-CB 3.83Å; K161-V169 HydrophobicContact CD-CG2 3.49Å; K161-V169 VanDerWaalsContact CD-CG2 3.49Å; K161-V169 HydrophobicContact CG-CB 4.05Å; K161-V169 HydrophobicContact CG-CG2 3.88Å; K167-V169 PolarHBondContact O-N 3.23Å; V169-V200 HydrophobicContact CG1-CG1 4.25Å; V169-V200 HydrophobicContact CG1-CG2 4.44Å; V169-E201 PolarHBondContact O-N 3.04Å
170V98.9Very high97.7Very high11 Ų1144.1 Ų44.17%0.06723%0.228CC..EExtended strand (participates in β ladder)trans-111.8128.1173.9-174.20000108V144 L145 V146 E201 V203V144-V170 PolarHBondContact O-N 3.47Å; L145-V170 CarbonylContact C-O 3.55Å; L145-V170 WeakPolarHBondContact CA-O 3.33Å; L145-V170 HydrophobicContact CD1-CB 3.87Å; L145-V170 HydrophobicContact CD1-CG1 3.88Å; V146-V170 PolarHBondContact N-O 2.89Å; V170-E201 CarbonylContact C-O 3.54Å; V170-E201 WeakPolarHBondContact CA-O 3.45Å; V170-E201 HydrophobicContact CB-CB 4.45Å; V170-E201 HydrophobicContact CG1-CB 4.37Å; V170-E201 HydrophobicContact CG2-CB 4.09Å; V170-V203 HydrophobicContact CG1-CG2 3.71Å
171L98.9Very high97.4Very high0 Ų047.9 Ų47.90%025%0.252CS..EExtended strand (participates in β ladder)trans-105.5117.2169.9-179.1144.3000109.2V146 G153 A157 H173 L178 L195 V200 E201 L202 V203 L204V146-L171 HydrophobicContact CG1-CD1 4.29Å; V146-L171 WeakPolarHBondContact O-CA 3.34Å; G153-L171 WeakPolarHBondContact O-CD1 3.47Å; A157-L171 HydrophobicContact CB-CD1 3.94Å; L171-H173 HydrophobicContact CD2-CB 4.22Å; L171-L178 HydrophobicContact CD2-CD2 3.63Å; L171-L195 HydrophobicContact CD1-CD1 4.28Å; L171-V200 HydrophobicContact CB-CG1 3.93Å; L171-E201 PolarHBondContact N-O 2.83Å; L171-L202 HydrophobicContact CB-CD2 3.97Å; L171-L202 HydrophobicContact CD2-CD2 4.08Å; L171-V203 PolarHBondContact O-N 3.08Å; L171-L204 HydrophobicContact CD2-CD2 4.43Å
172I98.8Very high97.1Very high2 Ų250.9 Ų50.91%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-101.4131.4174.5-173.9166.3000110.8L145 V146 V147 G148 V203 Q206 V208 T227 L233L145-I172 HydrophobicContact CD1-CB 4.14Å; L145-I172 HydrophobicContact CD1-CG2 3.71Å; L145-I172 HydrophobicContact CD2-CG2 4.31Å; L145-I172 HydrophobicContact CG-CG2 4.13Å; V146-I172 PolarHBondContact O-N 2.88Å; V147-I172 HydrophobicContact CB-CG2 4.21Å; V147-I172 HydrophobicContact CG1-CG2 4.23Å; V147-I172 HydrophobicContact CG2-CG2 3.92Å; G148-I172 WeakPolarHBondContact CA-O 3.34Å; G148-I172 PolarHBondContact N-O 3.1Å; I172-V203 CarbonylContact C-O 3.55Å; I172-V203 VanDerWaalsContact CA-O 3.27Å; I172-V203 WeakPolarHBondContact CA-O 3.26Å; I172-V203 HydrophobicContact CB-CB 4.17Å; I172-V203 HydrophobicContact CD1-CB 4.49Å; I172-V203 HydrophobicContact CD1-CG1 4Å; I172-V203 HydrophobicContact CG1-CB 4.08Å; I172-V203 HydrophobicContact CG1-CG1 3.98Å; I172-Q206 HydrophobicContact CD1-CB 4.18Å; I172-Q206 HydrophobicContact CG1-CB 4.45Å; I172-V208 HydrophobicContact CD1-CG2 4.02Å; I172-V208 HydrophobicContact CG2-CG2 3.85Å; I172-T227 HydrophobicContact CD1-CG2 3.93Å; I172-L233 HydrophobicContact CD1-CD1 4.34Å
173H98.5Very high96.9Very high22 Ų2250.3 Ų50.310%0.10226%0.263CS..EExtended strand (participates in β ladder)trans-141.9138.3178.9-168.842.4000112.9G149 L171 R175 L178 V203 L204 G205 Q206G149-H173 PolarHBondContact N-ND1 3.27Å; L171-H173 HydrophobicContact CD2-CB 4.22Å; H173-R175 PolarHBondContact CD2-O 3.26Å; H173-R175 VanDerWaalsContact CD2-O 3.28Å; H173-R175 PolarHBondContact O-N 3.22Å; H173-R175 VanDerWaalsContact O-N 3.13Å; H173-L178 HydrophobicContact CB-CD2 4.32Å; H173-V203 PolarHBondContact N-O 2.88Å; H173-L204 HydrophobicContact CB-CD2 4Å; H173-L204 CarbonylContact O-C 3.56Å; H173-L204 WeakPolarHBondContact O-CA 3.41Å; H173-G205 PolarHBondContact O-N 2.78Å; H173-Q206 CarbonylContact C-O 3.58Å; H173-Q206 PolarHBondContact O-N 3.13Å; H173-Q206 VanDerWaalsContact O-O 3.1Å
174S97.4Very high96.7Very high52 Ų5250.4 Ų50.436%0.36427%0.267SS..SBendtrans-67-13.7-178.561.20000114.9Q206 K207S174-Q206 VanDerWaalsContact CA-O 3.28Å; S174-Q206 WeakPolarHBondContact CA-O 3.48Å; S174-Q206 PolarHBondContact N-O 3.46Å; S174-K207 VanDerWaalsContact CB-CG 3.48Å
175R96.9Very high96.6Very high152 Ų15256.3 Ų56.357%0.57430%0.296SS*.SBendtrans-122.7161.6-179.7-57174.4179.7169.8-0.9110H173H173-R175 PolarHBondContact CD2-O 3.26Å; H173-R175 VanDerWaalsContact CD2-O 3.28Å; H173-R175 PolarHBondContact O-N 3.22Å; H173-R175 VanDerWaalsContact O-N 3.13Å
176I96.9Very high96.5Very high117 Ų11754.8 Ų54.860%0.629%0.288SS*.SBendtrans-73.5-44.1175.6-58.2-56.6000111.9L204I176-L204 HydrophobicContact CD1-CB 4.14Å
177G95.4Very high96.5Very high27 Ų2747 Ų4728%0.27825%0.246SC..SBendtrans-84.8127.2-177.300000111.9R188G177-R188 VanDerWaalsContact CA-NH2 3.26Å; G177-R188 PolarHBondContact O-NH2 2.94Å
178L97.6Very high96.4Very high3 Ų348.7 Ų48.72%0.01625%0.252CS..  trans-80.5169.3176.6-63.9178.2000112.8G149 V154 L171 H173 R188 K192 L195 L202 L204G149-L178 CarbonylContact O-C 3.53Å; G149-L178 WeakPolarHBondContact O-CA 3.3Å; V154-L178 HydrophobicContact CG2-CB 4.06Å; L171-L178 HydrophobicContact CD2-CD2 3.63Å; H173-L178 HydrophobicContact CB-CD2 4.32Å; L178-R188 WeakPolarHBondContact O-CG 3.49Å; L178-R188 PolarHBondContact O-NE 3.42Å; L178-K192 HydrophobicContact CD1-CB 3.99Å; L178-K192 HydrophobicContact CD1-CG 4.24Å; L178-L195 HydrophobicContact CD1-CD1 3.86Å; L178-L202 HydrophobicContact CD1-CD1 4.3Å; L178-L202 HydrophobicContact CD1-CD2 4.46Å; L178-L204 HydrophobicContact CD2-CD2 3.77Å; L178-L204 HydrophobicContact CG-CD2 4.4Å
179A95.9Very high96.4Very high6 Ų648.2 Ų48.25%0.0525%0.251CS..SBendtrans59.9-174.4179.900000114.3G149 L183 L329G149-A179 PolarHBondContact O-N 2.88Å; A179-L183 HydrophobicContact CB-CD1 3.67Å; A179-L329 HydrophobicContact CB-CD1 3.7Å
180D93.3Very high96.3Very high34 Ų3449.2 Ų49.218%0.18226%0.256CS..  trans-64.1133.5-178.5-167.4-68000111.2Q182 L183 M327D180-Q182 PolarHBondContact O-N 3.36Å; D180-Q182 VanDerWaalsContact OD1-CB 3.23Å; D180-Q182 WeakPolarHBondContact OD1-CB 3Å; D180-Q182 WeakPolarHBondContact OD1-CG 3.31Å; D180-Q182 PolarHBondContact OD1-N 2.92Å; D180-L183 HydrophobicContact CB-CD1 4.4Å; D180-L183 HydrophobicContact CB-CG 4.33Å; D180-L183 WeakPolarHBondContact O-CB 3.47Å; D180-L183 PolarHBondContact O-N 2.91Å; D180-L183 VanDerWaalsContact O-N 3.09Å; D180-M327 HydrophobicContact CB-CE 3.57Å; D180-M327 HydrophobicContact CB-SD 3.77Å
181P92Very high96.3Very high79 Ų7948.7 Ų48.751%0.51325%0.252SS..THydrogen-bonded Turntrans-64.9-17.2-179.327.3-36.1000114.3L183P181-L183 VanDerWaalsContact C-N 3.28Å
182Q91.6Very high96.3Very high86 Ų8651.6 Ų51.640%0.40227%0.265SS..THydrogen-bonded Turntrans-79.3-10.7175.4-60.9173.669.900113D180 V325D180-Q182 PolarHBondContact O-N 3.36Å; D180-Q182 VanDerWaalsContact OD1-CB 3.23Å; D180-Q182 WeakPolarHBondContact OD1-CB 3Å; D180-Q182 WeakPolarHBondContact OD1-CG 3.31Å; D180-Q182 PolarHBondContact OD1-N 2.92Å; Q182-V325 HydrophobicContact CB-CB 4.39Å; Q182-V325 HydrophobicContact CB-CG2 3.66Å; Q182-V325 HydrophobicContact CG-CG2 4.38Å
183L93.8Very high96.3Very high6 Ų655.3 Ų55.33%0.03128%0.282CS..SBendtrans-70.4143.4169.4-70.2172000110.7A179 D180 P181 V187 R188 M327 L329 Q339A179-L183 HydrophobicContact CB-CD1 3.67Å; D180-L183 HydrophobicContact CB-CD1 4.4Å; D180-L183 HydrophobicContact CB-CG 4.33Å; D180-L183 WeakPolarHBondContact O-CB 3.47Å; D180-L183 PolarHBondContact O-N 2.91Å; D180-L183 VanDerWaalsContact O-N 3.09Å; P181-L183 VanDerWaalsContact C-N 3.28Å; L183-V187 HydrophobicContact CB-CG1 4.47Å; L183-V187 HydrophobicContact CD1-CG1 4.09Å; L183-V187 HydrophobicContact CD2-CG1 4.14Å; L183-V187 HydrophobicContact CG-CG1 4.49Å; L183-R188 HydrophobicContact CB-CG 3.74Å; L183-R188 HydrophobicContact CD1-CG 4.47Å; L183-R188 WeakPolarHBondContact O-CD 3.16Å; L183-M327 HydrophobicContact CD1-SD 3.72Å; L183-M327 HydrophobicContact CD2-CB 3.87Å; L183-M327 HydrophobicContact CD2-CG 4.27Å; L183-M327 HydrophobicContact CD2-SD 4.04Å; L183-M327 HydrophobicContact CG-SD 3.91Å; L183-L329 HydrophobicContact CD1-CD1 4.16Å; L183-Q339 HydrophobicContact CD2-CG 3.66Å
184V94.8Very high96.3Very high52 Ų5254.3 Ų54.332%0.31528%0.278SS..  trans-61.5145.5173.8-58.60000110.5S186 V187 R188V184-S186 PolarHBondContact O-N 2.81Å; V184-S186 VanDerWaalsContact O-N 3.1Å; V184-V187 HydrophobicContact CG2-CB 4.12Å; V184-V187 HydrophobicContact CG2-CG2 3.51Å; V184-V187 WeakPolarHBondContact O-CB 3.45Å; V184-V187 PolarHBondContact O-N 3.19Å; V184-R188 PolarHBondContact O-N 3.25Å
185Q95.6Very high96.3Very high164 Ų16451.8 Ų51.877%0.76626%0.26SS*.Hα-helixtrans-53.2-38.9-173.5-175.91792.400112.9V187 R188 Q189Q185-V187 VanDerWaalsContact C-N 3.29Å; Q185-V187 PolarHBondContact O-N 2.74Å; Q185-R188 PolarHBondContact O-N 2.97Å; Q185-Q189 WeakPolarHBondContact O-CB 3.47Å; Q185-Q189 PolarHBondContact O-N 3.09Å
186S96.2Very high96.4Very high52 Ų5248.8 Ų48.836%0.36426%0.255SS..Hα-helixtrans-65.2-28.5179.158.60000113.9V184 Q190V184-S186 PolarHBondContact O-N 2.81Å; V184-S186 VanDerWaalsContact O-N 3.1Å; S186-Q190 WeakPolarHBondContact O-CB 3.4Å; S186-Q190 PolarHBondContact O-N 2.83Å; S186-Q190 VanDerWaalsContact O-N 3.13Å
187V97.3Very high96.5Very high0 Ų048.9 Ų48.90%025%0.253CS..Hα-helixtrans-75.6-42.4174.91740000110L183 V184 Q185 Q189 Q190 A191 Q339 R344L183-V187 HydrophobicContact CB-CG1 4.47Å; L183-V187 HydrophobicContact CD1-CG1 4.09Å; L183-V187 HydrophobicContact CD2-CG1 4.14Å; L183-V187 HydrophobicContact CG-CG1 4.49Å; V184-V187 HydrophobicContact CG2-CB 4.12Å; V184-V187 HydrophobicContact CG2-CG2 3.51Å; V184-V187 WeakPolarHBondContact O-CB 3.45Å; V184-V187 PolarHBondContact O-N 3.19Å; Q185-V187 VanDerWaalsContact C-N 3.29Å; Q185-V187 PolarHBondContact O-N 2.74Å; V187-Q189 VanDerWaalsContact C-N 3.32Å; V187-Q189 PolarHBondContact O-N 2.61Å; V187-Q190 PolarHBondContact O-N 3.17Å; V187-A191 PolarHBondContact O-N 2.93Å; V187-Q339 HydrophobicContact CG2-CB 4.1Å; V187-R344 HydrophobicContact CG2-CB 3.82Å; V187-R344 HydrophobicContact CG2-CG 3.78Å
188R97.4Very high96.7Very high60 Ų6049.4 Ų49.423%0.22625%0.248CC..Hα-helixtrans-63.7-39.6177.9-61.2175.863.4-161.44.6111.8G177 L178 L183 V184 Q185 A191 K192G177-R188 VanDerWaalsContact CA-NH2 3.26Å; G177-R188 PolarHBondContact O-NH2 2.94Å; L178-R188 WeakPolarHBondContact O-CG 3.49Å; L178-R188 PolarHBondContact O-NE 3.42Å; L183-R188 HydrophobicContact CB-CG 3.74Å; L183-R188 HydrophobicContact CD1-CG 4.47Å; L183-R188 WeakPolarHBondContact O-CD 3.16Å; V184-R188 PolarHBondContact O-N 3.25Å; Q185-R188 PolarHBondContact O-N 2.97Å; R188-A191 PolarHBondContact O-N 3.29Å; R188-K192 PolarHBondContact O-N 3.45Å
189Q97.8Very high96.7Very high87 Ų8751.3 Ų51.341%0.40727%0.268SS..Hα-helixtrans-65.6-42.6173.7-178.854.936.100111.6Q185 V187 A191 K192 E193Q185-Q189 WeakPolarHBondContact O-CB 3.47Å; Q185-Q189 PolarHBondContact O-N 3.09Å; V187-Q189 VanDerWaalsContact C-N 3.32Å; V187-Q189 PolarHBondContact O-N 2.61Å; Q189-A191 VanDerWaalsContact C-N 3.34Å; Q189-A191 PolarHBondContact O-N 3.17Å; Q189-K192 WeakPolarHBondContact O-CB 3.4Å; Q189-K192 PolarHBondContact O-N 2.89Å; Q189-E193 WeakPolarHBondContact CG-OE1 3.44Å; Q189-E193 PolarHBondContact NE2-OE1 2.8Å; Q189-E193 WeakPolarHBondContact O-CG 3.49Å; Q189-E193 PolarHBondContact O-N 3.41Å
190Q97.8Very high96.8Very high22 Ų2251.2 Ų51.210%0.10327%0.266CS..Hα-helixtrans-63.1-38.5175.2-168.1177.747.100112.5S186 V187 K192 E193 V194 V337 R347S186-Q190 WeakPolarHBondContact O-CB 3.4Å; S186-Q190 PolarHBondContact O-N 2.83Å; S186-Q190 VanDerWaalsContact O-N 3.13Å; V187-Q190 PolarHBondContact O-N 3.17Å; Q190-K192 VanDerWaalsContact C-N 3.31Å; Q190-K192 PolarHBondContact O-N 2.73Å; Q190-E193 PolarHBondContact O-N 3.34Å; Q190-V194 WeakPolarHBondContact O-CG2 3.39Å; Q190-V194 PolarHBondContact O-N 3.19Å; Q190-V337 HydrophobicContact CB-CG1 4.28Å; Q190-V337 HydrophobicContact CG-CB 4.49Å; Q190-V337 HydrophobicContact CG-CG1 3.7Å; Q190-R347 HydrophobicContact CG-CG 4.46Å
191A98.4Very high97.1Very high0 Ų054.2 Ų54.20%028%0.279CS..Hα-helixtrans-59.2-44.1173.700000111.5V154 V187 R188 Q189 V194 L195 V337V154-A191 HydrophobicContact CG1-CB 4.26Å; V187-A191 PolarHBondContact O-N 2.93Å; R188-A191 PolarHBondContact O-N 3.29Å; Q189-A191 VanDerWaalsContact C-N 3.34Å; Q189-A191 PolarHBondContact O-N 3.17Å; A191-V194 PolarHBondContact O-N 2.96Å; A191-L195 WeakPolarHBondContact O-CG 3.28Å; A191-L195 PolarHBondContact O-N 2.78Å; A191-L195 VanDerWaalsContact O-N 3.14Å; A191-V337 HydrophobicContact CB-CG2 3.82Å
192K98.6Very high97.4Very high61 Ų6152.3 Ų52.327%0.26527%0.265SS..Hα-helixtrans-60.8-47175.2-177.2-178.1174.4-179.60111.8L178 R188 Q189 Q190 L195 L196 L202L178-K192 HydrophobicContact CD1-CB 3.99Å; L178-K192 HydrophobicContact CD1-CG 4.24Å; R188-K192 PolarHBondContact O-N 3.45Å; Q189-K192 WeakPolarHBondContact O-CB 3.4Å; Q189-K192 PolarHBondContact O-N 2.89Å; Q190-K192 VanDerWaalsContact C-N 3.31Å; Q190-K192 PolarHBondContact O-N 2.73Å; K192-L195 PolarHBondContact O-N 2.67Å; K192-L196 HydrophobicContact CG-CD1 4.18Å; K192-L196 WeakPolarHBondContact O-CG 3.37Å; K192-L196 PolarHBondContact O-N 2.73Å; K192-L202 HydrophobicContact CD-CD1 4.44Å; K192-L202 HydrophobicContact CG-CD1 3.7Å
193E98.4Very high97.8Very high80 Ų8049.2 Ų49.237%0.37425%0.252SS..Hα-helixtrans-59-47.4179.3-74.1160.2-171.400111.5Q189 Q190 L195 L196 E197Q189-E193 WeakPolarHBondContact CG-OE1 3.44Å; Q189-E193 PolarHBondContact NE2-OE1 2.8Å; Q189-E193 WeakPolarHBondContact O-CG 3.49Å; Q189-E193 PolarHBondContact O-N 3.41Å; Q190-E193 PolarHBondContact O-N 3.34Å; E193-L195 VanDerWaalsContact C-N 3.34Å; E193-L195 PolarHBondContact O-N 3.12Å; E193-L196 PolarHBondContact O-N 2.9Å; E193-L196 VanDerWaalsContact O-N 3.15Å; E193-E197 WeakPolarHBondContact O-CB 3.35Å; E193-E197 WeakPolarHBondContact O-CG 3.29Å; E193-E197 PolarHBondContact O-N 3.44Å
194V98.6Very high98Very high0 Ų050.5 Ų50.50%026%0.258CS..Hα-helixtrans-63.2-38.2178.9174.40000112.3Q190 A191 E197 K198 M331 D335 V337Q190-V194 WeakPolarHBondContact O-CG2 3.39Å; Q190-V194 PolarHBondContact O-N 3.19Å; A191-V194 PolarHBondContact O-N 2.96Å; V194-E197 PolarHBondContact O-N 2.69Å; V194-K198 HydrophobicContact CG1-CD 4.28Å; V194-K198 WeakPolarHBondContact O-CB 3.27Å; V194-K198 WeakPolarHBondContact O-CG 3.26Å; V194-K198 PolarHBondContact O-N 3Å; V194-M331 HydrophobicContact CB-CE 3.9Å; V194-M331 HydrophobicContact CB-CG 4.47Å; V194-M331 HydrophobicContact CG1-CB 3.63Å; V194-M331 HydrophobicContact CG1-CE 3.76Å; V194-M331 HydrophobicContact CG1-CG 3.93Å; V194-D335 VanDerWaalsContact CG1-OD2 3.3Å; V194-D335 WeakPolarHBondContact CG1-OD2 3.43Å; V194-V337 HydrophobicContact CG2-CG1 3.9Å
195L98.8Very high98.1Very high0 Ų049.3 Ų49.30%026%0.256CS..Hα-helixtrans-63.2-42.7174.3-70.3-177000112V154 A157 A158 L171 L178 A191 K192 E193 K198 G199 V200 L202 M331V154-L195 HydrophobicContact CG1-CD1 4.26Å; V154-L195 HydrophobicContact CG2-CD1 4.33Å; A157-L195 HydrophobicContact CB-CD2 4.16Å; A158-L195 HydrophobicContact CB-CD2 3.9Å; L171-L195 HydrophobicContact CD1-CD1 4.28Å; L178-L195 HydrophobicContact CD1-CD1 3.86Å; A191-L195 WeakPolarHBondContact O-CG 3.28Å; A191-L195 PolarHBondContact O-N 2.78Å; A191-L195 VanDerWaalsContact O-N 3.14Å; K192-L195 PolarHBondContact O-N 2.67Å; E193-L195 VanDerWaalsContact C-N 3.34Å; E193-L195 PolarHBondContact O-N 3.12Å; L195-K198 PolarHBondContact O-N 3.41Å; L195-G199 PolarHBondContact O-N 3.33Å; L195-V200 HydrophobicContact CB-CB 4.09Å; L195-V200 HydrophobicContact CB-CG2 4.29Å; L195-V200 HydrophobicContact CD2-CG2 4.09Å; L195-V200 WeakPolarHBondContact O-CB 3.28Å; L195-V200 PolarHBondContact O-N 3.16Å; L195-L202 HydrophobicContact CB-CD2 4.49Å; L195-L202 HydrophobicContact CD1-CD2 4.15Å; L195-M331 HydrophobicContact CD2-CE 3.55Å; L195-M331 HydrophobicContact CG-CE 3.7Å
196L98.8Very high98.3Very high89 Ų8942.5 Ų42.547%0.46623%0.225SC..Hα-helixtrans-66.4-42.7176.9-68.3172000111.7K192 E193 K198 G199 L202K192-L196 HydrophobicContact CG-CD1 4.18Å; K192-L196 WeakPolarHBondContact O-CG 3.37Å; K192-L196 PolarHBondContact O-N 2.73Å; E193-L196 PolarHBondContact O-N 2.9Å; E193-L196 VanDerWaalsContact O-N 3.15Å; L196-K198 PolarHBondContact O-N 3.2Å; L196-G199 WeakPolarHBondContact O-CA 3.36Å; L196-G199 PolarHBondContact O-N 2.65Å; L196-L202 HydrophobicContact CD1-CD1 4.43Å; L196-L202 HydrophobicContact CD2-CD1 3.77Å; L196-L202 HydrophobicContact CD2-CG 4Å; L196-L202 HydrophobicContact CG-CD1 3.93Å
197E98.6Very high98.3Very high119 Ų11945.9 Ų45.956%0.55623%0.233SC*.Hα-helixtrans-57.2-37.9174.3-75171.9-165.200111.6E193 V194 G199 R347E193-E197 WeakPolarHBondContact O-CB 3.35Å; E193-E197 WeakPolarHBondContact O-CG 3.29Å; E193-E197 PolarHBondContact O-N 3.44Å; V194-E197 PolarHBondContact O-N 2.69Å; E197-G199 PolarHBondContact O-N 2.57Å; E197-R347 IonicContact OE1-NH1 3.35Å; E197-R347 PolarHBondContact OE1-NH1 2.81Å; E197-R347 IonicContact OE2-CZ 3.85Å; E197-R347 VanDerWaalsContact OE2-CZ 3.3Å; E197-R347 IonicContact OE2-NH1 3Å; E197-R347 PolarHBondContact OE2-NH1 2.94Å; E197-R347 IonicContact OE2-NH2 3.01Å; E197-R347 PolarHBondContact OE2-NH2 2.85Å
198K98.4Very high98.3Very high38 Ų3846.8 Ų46.817%0.16524%0.238CC..THydrogen-bonded Turntrans-77.1-6.4175.5-73.2178.6-178.1-86.40113.7A158 K161 T162 V194 L195 L196 M331 D334A158-K198 HydrophobicContact CB-CD 4.42Å; K161-K198 HydrophobicContact CB-CB 4.09Å; K161-K198 WeakPolarHBondContact CE-O 3.34Å; T162-K198 PolarHBondContact OG1-NZ 3.21Å; V194-K198 HydrophobicContact CG1-CD 4.28Å; V194-K198 WeakPolarHBondContact O-CB 3.27Å; V194-K198 WeakPolarHBondContact O-CG 3.26Å; V194-K198 PolarHBondContact O-N 3Å; L195-K198 PolarHBondContact O-N 3.41Å; L196-K198 PolarHBondContact O-N 3.2Å; K198-M331 WeakPolarHBondContact CE-O 3.37Å; K198-M331 PolarHBondContact NZ-O 3.35Å; K198-D334 VanDerWaalsContact NZ-CG 3.33Å; K198-D334 IonicContact NZ-OD1 3.41Å; K198-D334 PolarHBondContact NZ-OD1 2.78Å; K198-D334 IonicContact NZ-OD2 3.69Å; K198-D334 PolarHBondContact NZ-OD2 3.4Å; K198-D334 VanDerWaalsContact NZ-OD2 3.16Å
199G98.6Very high98.3Very high42 Ų4247.4 Ų47.443%0.43325%0.252SS..THydrogen-bonded Turntrans80.929.7-179.700000114.4L195 L196 E197L195-G199 PolarHBondContact O-N 3.33Å; L196-G199 WeakPolarHBondContact O-CA 3.36Å; L196-G199 PolarHBondContact O-N 2.65Å; E197-G199 PolarHBondContact O-N 2.57Å
200V98.9Very high98.3Very high4 Ų444 Ų442%0.02424%0.236CC..  trans-78.9128.4167.5-179.70000109.4A157 K161 V169 L171 L195 L202A157-V200 HydrophobicContact CB-CG1 4.2Å; A157-V200 HydrophobicContact CB-CG2 4.2Å; K161-V200 HydrophobicContact CB-CG2 4.47Å; K161-V200 HydrophobicContact CD-CG2 4.49Å; K161-V200 HydrophobicContact CG-CG2 3.52Å; V169-V200 HydrophobicContact CG1-CG1 4.25Å; V169-V200 HydrophobicContact CG1-CG2 4.44Å; L171-V200 HydrophobicContact CB-CG1 3.93Å; L195-V200 HydrophobicContact CB-CB 4.09Å; L195-V200 HydrophobicContact CB-CG2 4.29Å; L195-V200 HydrophobicContact CD2-CG2 4.09Å; L195-V200 WeakPolarHBondContact O-CB 3.28Å; L195-V200 PolarHBondContact O-N 3.16Å; V200-L202 HydrophobicContact CG1-CD2 3.9Å
201E98.8Very high98.2Very high97 Ų9744.9 Ų44.945%0.45324%0.241SC..EExtended strand (participates in β ladder)trans-78.3133.5170.7-67.5174.6-151.600109.8K168 V169 V170 L171K168-E201 VanDerWaalsContact CE-OE1 3.27Å; K168-E201 WeakPolarHBondContact CE-OE1 3.21Å; K168-E201 WeakPolarHBondContact CE-OE2 3.4Å; K168-E201 IonicContact NZ-OE2 3.88Å; V169-E201 PolarHBondContact O-N 3.04Å; V170-E201 CarbonylContact C-O 3.54Å; V170-E201 WeakPolarHBondContact CA-O 3.45Å; V170-E201 HydrophobicContact CB-CB 4.45Å; V170-E201 HydrophobicContact CG1-CB 4.37Å; V170-E201 HydrophobicContact CG2-CB 4.09Å; L171-E201 PolarHBondContact N-O 2.83Å
202L98.8Very high98Very high39 Ų3950.5 Ų50.520%0.20428%0.281CS..EExtended strand (participates in β ladder)trans-113.6118-175.8-58.8-178.6000111.3L171 L178 K192 L195 L196 V200 L204L171-L202 HydrophobicContact CB-CD2 3.97Å; L171-L202 HydrophobicContact CD2-CD2 4.08Å; L178-L202 HydrophobicContact CD1-CD1 4.3Å; L178-L202 HydrophobicContact CD1-CD2 4.46Å; K192-L202 HydrophobicContact CD-CD1 4.44Å; K192-L202 HydrophobicContact CG-CD1 3.7Å; L195-L202 HydrophobicContact CB-CD2 4.49Å; L195-L202 HydrophobicContact CD1-CD2 4.15Å; L196-L202 HydrophobicContact CD1-CD1 4.43Å; L196-L202 HydrophobicContact CD2-CD1 3.77Å; L196-L202 HydrophobicContact CD2-CG 4Å; L196-L202 HydrophobicContact CG-CD1 3.93Å; V200-L202 HydrophobicContact CG1-CD2 3.9Å; L202-L204 HydrophobicContact CB-CD1 4.33Å; L202-L204 HydrophobicContact CB-CD2 4.33Å; L202-L204 HydrophobicContact CB-CG 4.08Å; L202-L204 HydrophobicContact CD1-CD1 4.47Å
203V98.6Very high97.9Very high22 Ų2254.9 Ų54.913%0.13330%0.302CS..EExtended strand (participates in β ladder)trans-106.495.3171.9-177.80000108.3V170 L171 I172 H173 Q206 L233V170-V203 HydrophobicContact CG1-CG2 3.71Å; L171-V203 PolarHBondContact O-N 3.08Å; I172-V203 CarbonylContact C-O 3.55Å; I172-V203 VanDerWaalsContact CA-O 3.27Å; I172-V203 WeakPolarHBondContact CA-O 3.26Å; I172-V203 HydrophobicContact CB-CB 4.17Å; I172-V203 HydrophobicContact CD1-CB 4.49Å; I172-V203 HydrophobicContact CD1-CG1 4Å; I172-V203 HydrophobicContact CG1-CB 4.08Å; I172-V203 HydrophobicContact CG1-CG1 3.98Å; H173-V203 PolarHBondContact N-O 2.88Å; V203-Q206 HydrophobicContact CG1-CB 4.06Å; V203-Q206 HydrophobicContact CG1-CG 4Å; V203-L233 HydrophobicContact CG2-CD1 4.29Å
204L98.4Very high97.8Very high33 Ų3352.1 Ų52.117%0.17329%0.29CS..EExtended strand (participates in β ladder)trans-106.7148.5-171.5-55.2176.8000111.9L171 H173 I176 L178 L202 Q206L171-L204 HydrophobicContact CD2-CD2 4.43Å; H173-L204 HydrophobicContact CB-CD2 4Å; H173-L204 CarbonylContact O-C 3.56Å; H173-L204 WeakPolarHBondContact O-CA 3.41Å; I176-L204 HydrophobicContact CD1-CB 4.14Å; L178-L204 HydrophobicContact CD2-CD2 3.77Å; L178-L204 HydrophobicContact CG-CD2 4.4Å; L202-L204 HydrophobicContact CB-CD1 4.33Å; L202-L204 HydrophobicContact CB-CD2 4.33Å; L202-L204 HydrophobicContact CB-CG 4.08Å; L202-L204 HydrophobicContact CD1-CD1 4.47Å; L204-Q206 VanDerWaalsContact C-N 3.28Å
205G98.1Very high97.7Very high26 Ų2654 Ų5427%0.26830%0.302SS..SBendtrans74.717.2-176.900000114.2H173H173-G205 PolarHBondContact O-N 2.78Å
206Q97.9Very high97.6Very high22 Ų2257.3 Ų57.310%0.10332%0.32CS..  trans-130.7152.1-179.9-51-164.334.600111.4I172 H173 S174 V203 L204 T227 D228 K229 E231I172-Q206 HydrophobicContact CD1-CB 4.18Å; I172-Q206 HydrophobicContact CG1-CB 4.45Å; H173-Q206 CarbonylContact C-O 3.58Å; H173-Q206 PolarHBondContact O-N 3.13Å; H173-Q206 VanDerWaalsContact O-O 3.1Å; S174-Q206 VanDerWaalsContact CA-O 3.28Å; S174-Q206 WeakPolarHBondContact CA-O 3.48Å; S174-Q206 PolarHBondContact N-O 3.46Å; V203-Q206 HydrophobicContact CG1-CB 4.06Å; V203-Q206 HydrophobicContact CG1-CG 4Å; L204-Q206 VanDerWaalsContact C-N 3.28Å; Q206-T227 VanDerWaalsContact OE1-CB 3.24Å; Q206-T227 PolarHBondContact OE1-OG1 2.94Å; Q206-D228 WeakPolarHBondContact CA-OD1 3.44Å; Q206-K229 HydrophobicContact CB-CG 4.37Å; Q206-K229 HydrophobicContact CG-CB 4.48Å; Q206-K229 HydrophobicContact CG-CG 3.73Å; Q206-E231 VanDerWaalsContact NE2-CD 3.27Å; Q206-E231 PolarHBondContact NE2-OE1 3.36Å; Q206-E231 PolarHBondContact NE2-OE2 3.3Å; Q206-E231 PolarHBondContact OE1-OE2 3.27Å
207K96.8Very high97.6Very high122 Ų12254.7 Ų54.753%0.5331%0.306SS..  trans-118.1148.9175.5-68.8172.9-177.2178.10110.3S174 S209 T227 D228S174-K207 VanDerWaalsContact CB-CG 3.48Å; K207-S209 PolarHBondContact O-N 3.05Å; K207-T227 CarbonylContact O-C 3.58Å; K207-T227 WeakPolarHBondContact O-CA 3.15Å; K207-D228 HydrophobicContact CB-CB 4.33Å; K207-D228 PolarHBondContact N-OD1 2.99Å; K207-D228 PolarHBondContact O-N 3.17Å
208V97.9Very high97.5Very high20 Ų2057.2 Ų57.212%0.12131%0.311CS..BIsolated β-bridgetrans-71.5122.9164.1-1790000108.8L145 V147 I172 L211 L214 V225 R226L145-V208 HydrophobicContact CD2-CG2 4.33Å; V147-V208 HydrophobicContact CG1-CG2 4.06Å; V147-V208 HydrophobicContact CG2-CG2 3.92Å; I172-V208 HydrophobicContact CD1-CG2 4.02Å; I172-V208 HydrophobicContact CG2-CG2 3.85Å; V208-L211 HydrophobicContact CB-CB 4.24Å; V208-L211 HydrophobicContact CB-CD1 4.46Å; V208-L211 HydrophobicContact CG1-CB 3.79Å; V208-L211 HydrophobicContact CG1-CD1 4.1Å; V208-L214 HydrophobicContact CG1-CD1 4.15Å; V208-V225 HydrophobicContact CB-CG1 4.17Å; V208-V225 HydrophobicContact CG1-CG1 3.43Å; V208-V225 VanDerWaalsContact CG1-CG1 3.43Å; V208-V225 HydrophobicContact CG2-CG1 3.7Å; V208-R226 CarbonylContact C-O 3.56Å; V208-R226 WeakPolarHBondContact CA-O 3.38Å
209S97.6Very high97.5Very high73 Ų7356.8 Ų56.851%0.5131%0.311SS..SBendtrans-91.6-26.4-175.856.60000113.5K207 R226 T227K207-S209 PolarHBondContact O-N 3.05Å; S209-R226 PolarHBondContact N-O 2.81Å; S209-R226 PolarHBondContact OG-O 2.95Å; S209-R226 VanDerWaalsContact OG-O 3.12Å; S209-T227 PolarHBondContact OG-O 2.98Å
210N97.2Very high97.5Very high15 Ų1559.8 Ų59.88%0.0831%0.314CS..SBendtrans-107.225.118067.9-36.3000113.6S212 E213 L214 Q224 R226N210-S212 PolarHBondContact O-N 2.93Å; N210-S212 VanDerWaalsContact O-N 3.15Å; N210-E213 WeakPolarHBondContact O-CB 3.38Å; N210-E213 PolarHBondContact O-N 3.23Å; N210-L214 WeakPolarHBondContact O-CG 3.37Å; N210-Q224 PolarHBondContact ND2-O 3.09Å; N210-R226 PolarHBondContact OD1-N 2.88Å; N210-R226 PolarHBondContact OD1-O 3.47Å
211L96.1Very high97.4Very high40 Ų4064.1 Ų64.121%0.20933%0.332CS..G310 helixtrans-58-34.8-171.6-17164.9000113.3V147 V208 E213 L214 L216 I238V147-L211 HydrophobicContact CG1-CD2 4.24Å; V147-L211 HydrophobicContact CG2-CD1 4.2Å; V208-L211 HydrophobicContact CB-CB 4.24Å; V208-L211 HydrophobicContact CB-CD1 4.46Å; V208-L211 HydrophobicContact CG1-CB 3.79Å; V208-L211 HydrophobicContact CG1-CD1 4.1Å; L211-E213 PolarHBondContact O-N 3.02Å; L211-L214 PolarHBondContact O-N 3.19Å; L211-L216 HydrophobicContact CD1-CD2 3.83Å; L211-I238 HydrophobicContact CD1-CG2 4.21Å
212S94.8Very high97.2Very high118 Ų11864.1 Ų64.183%0.82534%0.335SS*.G310 helixtrans-67.5-17.5179500000114.3N210N210-S212 PolarHBondContact O-N 2.93Å; N210-S212 VanDerWaalsContact O-N 3.15Å
213E95.4Very high97.2Very high154 Ų15462.7 Ų62.772%0.7233%0.328SS*.G310 helixtrans-95.9-8.6-179.1-60.4168.9-162.100112N210 L211N210-E213 WeakPolarHBondContact O-CB 3.38Å; N210-E213 PolarHBondContact O-N 3.23Å; L211-E213 PolarHBondContact O-N 3.02Å
214L96.3Very high97.2Very high22 Ų2265.8 Ų65.812%0.11534%0.341CS..SBendtrans-98.4140.2-171.4-65169.7000111.5V208 N210 L211 L216 V225 I238V208-L214 HydrophobicContact CG1-CD1 4.15Å; N210-L214 WeakPolarHBondContact O-CG 3.37Å; L211-L214 PolarHBondContact O-N 3.19Å; L214-L216 PolarHBondContact O-N 2.86Å; L214-V225 HydrophobicContact CD1-CB 4.31Å; L214-V225 HydrophobicContact CD1-CG1 3.97Å; L214-V225 HydrophobicContact CD1-CG2 3.97Å; L214-I238 HydrophobicContact CB-CD1 3.74Å; L214-I238 HydrophobicContact CD1-CD1 3.69Å; L214-I238 HydrophobicContact CD2-CD1 4.3Å; L214-I238 HydrophobicContact CG-CD1 4.11Å
215P96.8Very high97.1Very high40 Ų4064.2 Ų64.226%0.2633%0.333SS..PPolyproline II helixtrans-67.7121.7171.329.1-32.6000109.4L223P215-L223 HydrophobicContact CG-CD1 4.03Å; P215-L223 HydrophobicContact CG-CD2 3.7Å
216L97.2Very high97.2Very high69 Ų6970.3 Ų70.336%0.36135%0.347SS..SBendtrans-92.8146.8174.4-55.8-176.7000110L211 L214 R218 I238 C240L211-L216 HydrophobicContact CD1-CD2 3.83Å; L214-L216 PolarHBondContact O-N 2.86Å; L216-R218 PolarHBondContact O-N 3.02Å; L216-I238 HydrophobicContact CD2-CB 4.19Å; L216-I238 HydrophobicContact CD2-CG2 3.7Å; L216-C240 HydrophobicContact CD1-CB 3.94Å; L216-C240 HydrophobicContact CD2-CB 4.41Å
217N97.6Very high97.2Very high34 Ų3469.5 Ų69.518%0.18234%0.344CS..SBendtrans55.322.6173.9-56.4-29.4000114.6F114 M134 I238F114-N217 PolarHBondContact O-ND2 3.17Å; F114-N217 PolarHBondContact O-OD1 3.38Å; M134-N217 HydrophobicContact CE-CB 4.09Å; M134-N217 HydrophobicContact SD-CB 3.78Å; N217-I238 PolarHBondContact N-O 3.49Å
218R97.8Very high97.2Very high172 Ų17267.4 Ų67.465%0.64934%0.339SS*.SBendtrans-133.8128.1176.9-174.4178.5-177.1-179.41.8108.9L216 Q220L216-R218 PolarHBondContact O-N 3.02Å; R218-Q220 PolarHBondContact O-N 3.41Å
219T98.4Very high97.2Very high29 Ų2973 Ų7318%0.17836%0.362CS..  trans-75.3126.1-179.2-64.10000110.2Q137 A140 A141 D236Q137-T219 VanDerWaalsContact C-OG1 3.3Å; Q137-T219 PolarHBondContact O-OG1 3.06Å; A140-T219 HydrophobicContact CB-CG2 4.07Å; A141-T219 HydrophobicContact CB-CG2 3.91Å; T219-D236 CarbonylContact C-O 3.58Å; T219-D236 WeakPolarHBondContact CA-O 3.49Å; T219-D236 HydrophobicContact CG2-CB 4.39Å
220Q97.9Very high97Very high104 Ų10472.9 Ų72.949%0.48637%0.371SS..  trans-148125.1174.8177.2178.1-36.100107.8R218 L223 D236R218-Q220 PolarHBondContact O-N 3.41Å; Q220-L223 HydrophobicContact CB-CD1 4.27Å; Q220-L223 HydrophobicContact CB-CD2 4.08Å; Q220-L223 HydrophobicContact CB-CG 4.16Å; Q220-L223 HydrophobicContact CG-CD2 3.98Å; Q220-L223 HydrophobicContact CG-CG 4.39Å; Q220-L223 WeakPolarHBondContact O-CG 3.42Å; Q220-D236 CarbonylContact C-O 3.42Å; Q220-D236 PolarHBondContact N-O 2.7Å; Q220-D236 CarbonylContact O-C 3.55Å; Q220-D236 VanDerWaalsContact O-CA 3.26Å; Q220-D236 WeakPolarHBondContact O-CA 3.37Å
221K96.1Very high96.9Very high96 Ų9676.5 Ų76.542%0.41739%0.388SS..THydrogen-bonded Turntrans-62.6143.2-176.9-63.7-58.6-172.3-178.20112.1A140 D142 L223 D236A140-K221 PolarHBondContact O-NZ 3.46Å; D142-K221 VanDerWaalsContact CG-NZ 3.27Å; D142-K221 IonicContact OD1-NZ 2.77Å; D142-K221 IonicContact OD2-NZ 2.74Å; D142-K221 PolarHBondContact OD2-NZ 3.24Å; K221-L223 PolarHBondContact O-N 2.72Å; K221-D236 WeakPolarHBondContact CA-OD1 3.49Å; K221-D236 HydrophobicContact CD-CB 4.33Å; K221-D236 VanDerWaalsContact CD-CG 3.42Å; K221-D236 WeakPolarHBondContact CD-OD1 3.49Å; K221-D236 VanDerWaalsContact CD-OD2 3.31Å; K221-D236 WeakPolarHBondContact CD-OD2 3.5Å; K221-D236 IonicContact NZ-OD2 2.65Å; K221-D236 PolarHBondContact NZ-OD2 3.45Å
222N95.9Very high97Very high96 Ų9678.3 Ų78.351%0.51340%0.4SS..THydrogen-bonded Turntrans59.539.9168.1-47-23.7000114.6Q224 E234 D236N222-Q224 PolarHBondContact O-N 3.24Å; N222-E234 HydrophobicContact CB-CG 4.13Å; N222-E234 PolarHBondContact OD1-OE1 2.86Å; N222-D236 PolarHBondContact N-OD1 2.89Å
223L97.9Very high97.1Very high9 Ų974.4 Ų74.45%0.04737%0.37CS..EExtended strand (participates in β ladder)trans-64.1129.3173.1-67.4167.6000110.4P215 Q220 K221 E234 T235 I238P215-L223 HydrophobicContact CG-CD1 4.03Å; P215-L223 HydrophobicContact CG-CD2 3.7Å; Q220-L223 HydrophobicContact CB-CD1 4.27Å; Q220-L223 HydrophobicContact CB-CD2 4.08Å; Q220-L223 HydrophobicContact CB-CG 4.16Å; Q220-L223 HydrophobicContact CG-CD2 3.98Å; Q220-L223 HydrophobicContact CG-CG 4.39Å; Q220-L223 WeakPolarHBondContact O-CG 3.42Å; K221-L223 PolarHBondContact O-N 2.72Å; L223-E234 WeakPolarHBondContact O-CA 3.24Å; L223-T235 WeakPolarHBondContact CA-O 3.43Å; L223-T235 HydrophobicContact CB-CG2 4.26Å; L223-T235 VanDerWaalsContact CB-O 3.27Å; L223-T235 WeakPolarHBondContact CB-O 3.32Å; L223-T235 PolarHBondContact N-O 2.84Å; L223-T235 PolarHBondContact O-N 3.21Å; L223-T235 VanDerWaalsContact O-N 3.12Å; L223-I238 HydrophobicContact CD1-CD1 3.96Å; L223-I238 HydrophobicContact CD1-CG1 4.22Å
224Q98.1Very high97.3Very high87 Ų8771.9 Ų71.941%0.40736%0.358SS..EExtended strand (participates in β ladder)trans-93.2108.1179.2-61.7-63.6-23.200110.5N210 N222 T232 E234N210-Q224 PolarHBondContact ND2-O 3.09Å; N222-Q224 PolarHBondContact O-N 3.24Å; Q224-T232 HydrophobicContact CB-CG2 4.2Å; Q224-E234 PolarHBondContact NE2-OE2 2.79Å
225V98.3Very high97.4Very high0 Ų071 Ų710%035%0.354CS..EExtended strand (participates in β ladder)trans-103118.4-178.9-171.70000109.7L145 V208 L214 T232 L233 T235 I238L145-V225 HydrophobicContact CD2-CB 4.04Å; L145-V225 HydrophobicContact CD2-CG1 3.64Å; L145-V225 HydrophobicContact CD2-CG2 3.79Å; V208-V225 HydrophobicContact CB-CG1 4.17Å; V208-V225 HydrophobicContact CG1-CG1 3.43Å; V208-V225 VanDerWaalsContact CG1-CG1 3.43Å; V208-V225 HydrophobicContact CG2-CG1 3.7Å; L214-V225 HydrophobicContact CD1-CB 4.31Å; L214-V225 HydrophobicContact CD1-CG1 3.97Å; L214-V225 HydrophobicContact CD1-CG2 3.97Å; V225-T232 CarbonylContact O-C 3.6Å; V225-T232 WeakPolarHBondContact O-CA 3.38Å; V225-L233 HydrophobicContact CB-CB 4.33Å; V225-L233 PolarHBondContact N-O 3.47Å; V225-L233 PolarHBondContact O-N 2.83Å; V225-T235 HydrophobicContact CG2-CG2 3.96Å; V225-I238 HydrophobicContact CG2-CD1 3.8Å; V225-I238 HydrophobicContact CG2-CG1 4.35Å
226R98.3Very high97.5Very high154 Ų15469.4 Ų69.458%0.58134%0.343SS*.EExtended strand (participates in β ladder)trans-94.6140.7-179.1-62.7-179.6-177179.91.6110.6V208 S209 N210 E231V208-R226 CarbonylContact C-O 3.56Å; V208-R226 WeakPolarHBondContact CA-O 3.38Å; S209-R226 PolarHBondContact N-O 2.81Å; S209-R226 PolarHBondContact OG-O 2.95Å; S209-R226 VanDerWaalsContact OG-O 3.12Å; N210-R226 PolarHBondContact OD1-N 2.88Å; N210-R226 PolarHBondContact OD1-O 3.47Å; R226-E231 WeakPolarHBondContact CA-O 3.43Å
227T98.3Very high97.6Very high5 Ų566.1 Ų66.13%0.03133%0.326CS..BIsolated β-bridgetrans-98.5161.9174.781.80000111.9I172 Q206 K207 S209 K229 G230 E231 L233I172-T227 HydrophobicContact CD1-CG2 3.93Å; Q206-T227 VanDerWaalsContact OE1-CB 3.24Å; Q206-T227 PolarHBondContact OE1-OG1 2.94Å; K207-T227 CarbonylContact O-C 3.58Å; K207-T227 WeakPolarHBondContact O-CA 3.15Å; S209-T227 PolarHBondContact OG-O 2.98Å; T227-K229 PolarHBondContact O-N 3.21Å; T227-K229 PolarHBondContact OG1-N 3.44Å; T227-K229 VanDerWaalsContact OG1-N 3.14Å; T227-G230 PolarHBondContact O-N 2.9Å; T227-E231 HydrophobicContact CG2-CB 4.03Å; T227-E231 PolarHBondContact N-O 3.48Å; T227-E231 WeakPolarHBondContact OG1-CB 3.35Å; T227-E231 PolarHBondContact OG1-N 2.86Å; T227-L233 HydrophobicContact CG2-CD1 4.46Å
228D97.6Very high97.6Very high78 Ų7864.5 Ų64.542%0.41732%0.317SS..THydrogen-bonded Turntrans-69.6-1.8169.867.5-21000113.5Q206 K207Q206-D228 WeakPolarHBondContact CA-OD1 3.44Å; K207-D228 HydrophobicContact CB-CB 4.33Å; K207-D228 PolarHBondContact N-OD1 2.99Å; K207-D228 PolarHBondContact O-N 3.17Å
229K96.9Very high97.7Very high139 Ų13956.3 Ų56.360%0.60429%0.287SS*.THydrogen-bonded Turntrans-102.44171.5-58.8-57.7-178-179.70113.6Q206 T227 E231Q206-K229 HydrophobicContact CB-CG 4.37Å; Q206-K229 HydrophobicContact CG-CB 4.48Å; Q206-K229 HydrophobicContact CG-CG 3.73Å; T227-K229 PolarHBondContact O-N 3.21Å; T227-K229 PolarHBondContact OG1-N 3.44Å; T227-K229 VanDerWaalsContact OG1-N 3.14Å; K229-E231 VanDerWaalsContact C-N 3.27Å
230G94.6Very high97.7Very high69 Ų6955.4 Ų55.471%0.71128%0.281SS*.SBendtrans79.67.1-179.500000114.1T227T227-G230 PolarHBondContact O-N 2.9Å
231E95.7Very high97.7Very high92 Ų9251.4 Ų51.443%0.4326%0.264SS..  trans-76.6153171-63.5176.7-171.600109.9Q206 R226 T227 K229Q206-E231 VanDerWaalsContact NE2-CD 3.27Å; Q206-E231 PolarHBondContact NE2-OE1 3.36Å; Q206-E231 PolarHBondContact NE2-OE2 3.3Å; Q206-E231 PolarHBondContact OE1-OE2 3.27Å; R226-E231 WeakPolarHBondContact CA-O 3.43Å; T227-E231 HydrophobicContact CG2-CB 4.03Å; T227-E231 PolarHBondContact N-O 3.48Å; T227-E231 WeakPolarHBondContact OG1-CB 3.35Å; T227-E231 PolarHBondContact OG1-N 2.86Å; K229-E231 VanDerWaalsContact C-N 3.27Å
232T97.4Very high97.6Very high77 Ų7749.7 Ų49.747%0.47226%0.262SS..EExtended strand (participates in β ladder)trans-123.5125.5172.1-580000108.7Q224 V225Q224-T232 HydrophobicContact CB-CG2 4.2Å; V225-T232 CarbonylContact O-C 3.6Å; V225-T232 WeakPolarHBondContact O-CA 3.38Å
233L97.8Very high97.5Very high37 Ų3747.3 Ų47.319%0.19426%0.26CS..EExtended strand (participates in β ladder)trans-105.1141.5175.1-54.9174.4000108.7L145 I172 V203 V225 T227L145-L233 HydrophobicContact CD1-CD1 4.16Å; I172-L233 HydrophobicContact CD1-CD1 4.34Å; V203-L233 HydrophobicContact CG2-CD1 4.29Å; V225-L233 HydrophobicContact CB-CB 4.33Å; V225-L233 PolarHBondContact N-O 3.47Å; V225-L233 PolarHBondContact O-N 2.83Å; T227-L233 HydrophobicContact CG2-CD1 4.46Å
234E98.3Very high97.3Very high100 Ų10051.2 Ų51.247%0.46728%0.28SS..EExtended strand (participates in β ladder)trans-105.3133.1172.4-170.4172111.900110.1N222 L223 Q224N222-E234 HydrophobicContact CB-CG 4.13Å; N222-E234 PolarHBondContact OD1-OE1 2.86Å; L223-E234 WeakPolarHBondContact O-CA 3.24Å; Q224-E234 PolarHBondContact NE2-OE2 2.79Å
235T98.7Very high97.2Very high4 Ų456.1 Ų56.13%0.02530%0.295CS..EExtended strand (participates in β ladder)trans-150.1163.7179.3-1620000111.7S143 L145 L223 V225 L237 I238S143-T235 PolarHBondContact O-OG1 3.26Å; S143-T235 VanDerWaalsContact O-OG1 3.09Å; S143-T235 VanDerWaalsContact OG-CA 3.28Å; S143-T235 WeakPolarHBondContact OG-CA 3.33Å; L145-T235 HydrophobicContact CB-CG2 3.82Å; L145-T235 PolarHBondContact N-OG1 3.1Å; L145-T235 VanDerWaalsContact N-OG1 3.15Å; L223-T235 WeakPolarHBondContact CA-O 3.43Å; L223-T235 HydrophobicContact CB-CG2 4.26Å; L223-T235 VanDerWaalsContact CB-O 3.27Å; L223-T235 WeakPolarHBondContact CB-O 3.32Å; L223-T235 PolarHBondContact N-O 2.84Å; L223-T235 PolarHBondContact O-N 3.21Å; L223-T235 VanDerWaalsContact O-N 3.12Å; V225-T235 HydrophobicContact CG2-CG2 3.96Å; T235-L237 PolarHBondContact OG1-O 3.22Å; T235-I238 HydrophobicContact CG2-CD1 4.3Å; T235-I238 HydrophobicContact CG2-CG1 3.64Å
236D98.8Very high97.1Very high7 Ų757.3 Ų57.34%0.03730%0.301CS..SBendtrans-98.2-25.9176.2-66.2-17.2000114A141 D142 S143 T219 Q220 K221 N222A141-D236 HydrophobicContact CB-CB 3.84Å; D142-D236 WeakPolarHBondContact CB-OD2 3.46Å; D142-D236 PolarHBondContact N-OD2 3.19Å; S143-D236 WeakPolarHBondContact O-CB 3.44Å; S143-D236 PolarHBondContact O-N 2.84Å; S143-D236 PolarHBondContact OG-N 3.47Å; T219-D236 CarbonylContact C-O 3.58Å; T219-D236 WeakPolarHBondContact CA-O 3.49Å; T219-D236 HydrophobicContact CG2-CB 4.39Å; Q220-D236 CarbonylContact C-O 3.42Å; Q220-D236 PolarHBondContact N-O 2.7Å; Q220-D236 CarbonylContact O-C 3.55Å; Q220-D236 VanDerWaalsContact O-CA 3.26Å; Q220-D236 WeakPolarHBondContact O-CA 3.37Å; K221-D236 WeakPolarHBondContact CA-OD1 3.49Å; K221-D236 HydrophobicContact CD-CB 4.33Å; K221-D236 VanDerWaalsContact CD-CG 3.42Å; K221-D236 WeakPolarHBondContact CD-OD1 3.49Å; K221-D236 VanDerWaalsContact CD-OD2 3.31Å; K221-D236 WeakPolarHBondContact CD-OD2 3.5Å; K221-D236 IonicContact NZ-OD2 2.65Å; K221-D236 PolarHBondContact NZ-OD2 3.45Å; N222-D236 PolarHBondContact N-OD1 2.89Å
237L98.9Very high97Very high0 Ų052.2 Ų52.20%029%0.285CS..EExtended strand (participates in β ladder)trans-142139.1-177.8177.364.8000110.3M134 Q137 I138 A141 S143 V144 L145 T235 I239M134-L237 HydrophobicContact CE-CD2 4.21Å; Q137-L237 HydrophobicContact CB-CD1 4.49Å; I138-L237 HydrophobicContact CB-CD2 4.3Å; I138-L237 HydrophobicContact CG1-CD2 3.57Å; A141-L237 HydrophobicContact CB-CB 3.66Å; A141-L237 HydrophobicContact CB-CD2 4.29Å; S143-L237 PolarHBondContact O-N 3.3Å; S143-L237 VanDerWaalsContact O-N 3.1Å; V144-L237 CarbonylContact C-O 3.43Å; V144-L237 WeakPolarHBondContact CA-O 3.3Å; V144-L237 HydrophobicContact CG1-CB 4.42Å; V144-L237 HydrophobicContact CG1-CD2 4.31Å; V144-L237 HydrophobicContact CG1-CG 4.33Å; V144-L237 HydrophobicContact CG2-CB 4.33Å; V144-L237 HydrophobicContact CG2-CD2 4.26Å; L145-L237 PolarHBondContact N-O 2.97Å; T235-L237 PolarHBondContact OG1-O 3.22Å; L237-I239 HydrophobicContact CD2-CD1 4.32Å; L237-I239 HydrophobicContact CD2-CG1 4.39Å; L237-I239 HydrophobicContact CG-CG1 4.28Å
238I98.8Very high97Very high0 Ų053.3 Ų53.30%029%0.293CS..EExtended strand (participates in β ladder)trans-119.1125.3177.6-57.6164.8000109L145 V147 L211 L214 L216 N217 L223 V225 T235L145-I238 HydrophobicContact CB-CG1 4.38Å; L145-I238 HydrophobicContact CD2-CG1 4.5Å; L145-I238 WeakPolarHBondContact O-CA 3.32Å; V147-I238 HydrophobicContact CG2-CG2 3.81Å; L211-I238 HydrophobicContact CD1-CG2 4.21Å; L214-I238 HydrophobicContact CB-CD1 3.74Å; L214-I238 HydrophobicContact CD1-CD1 3.69Å; L214-I238 HydrophobicContact CD2-CD1 4.3Å; L214-I238 HydrophobicContact CG-CD1 4.11Å; L216-I238 HydrophobicContact CD2-CB 4.19Å; L216-I238 HydrophobicContact CD2-CG2 3.7Å; N217-I238 PolarHBondContact N-O 3.49Å; L223-I238 HydrophobicContact CD1-CD1 3.96Å; L223-I238 HydrophobicContact CD1-CG1 4.22Å; V225-I238 HydrophobicContact CG2-CD1 3.8Å; V225-I238 HydrophobicContact CG2-CG1 4.35Å; T235-I238 HydrophobicContact CG2-CD1 4.3Å; T235-I238 HydrophobicContact CG2-CG1 3.64Å
239I98.7Very high97Very high0 Ų052.4 Ų52.40%030%0.302CS..EExtended strand (participates in β ladder)trans-114.7114.8174.8-56.6-179.1000108.4P115 M134 I138 V144 L145 V147 M156 I160 L237P115-I239 HydrophobicContact CG-CG2 4.29Å; M134-I239 HydrophobicContact CE-CD1 3.52Å; M134-I239 HydrophobicContact CE-CG1 3.7Å; I138-I239 HydrophobicContact CD1-CD1 3.98Å; I138-I239 HydrophobicContact CG1-CD1 4.34Å; V144-I239 HydrophobicContact CG1-CD1 3.94Å; V144-I239 HydrophobicContact CG1-CG1 4.1Å; L145-I239 PolarHBondContact O-N 3.26Å; V147-I239 PolarHBondContact N-O 2.82Å; M156-I239 HydrophobicContact CE-CD1 3.63Å; M156-I239 HydrophobicContact CG-CD1 4.3Å; M156-I239 HydrophobicContact CG-CG2 4.17Å; M156-I239 HydrophobicContact SD-CD1 4.33Å; M156-I239 HydrophobicContact SD-CG2 4.43Å; I160-I239 HydrophobicContact CD1-CD1 4.13Å; L237-I239 HydrophobicContact CD2-CD1 4.32Å; L237-I239 HydrophobicContact CD2-CG1 4.39Å; L237-I239 HydrophobicContact CG-CG1 4.28Å
240C98.3Very high97Very high9 Ų946.3 Ų46.36%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-85.8124.9177.8-172.70000110.5P113 L216 T242P113-C240 HydrophobicContact CB-CB 4.18Å; P113-C240 VanDerWaalsContact CB-O 3.3Å; P113-C240 WeakPolarHBondContact CB-O 3.38Å; P113-C240 HydrophobicContact CG-CB 4.12Å; L216-C240 HydrophobicContact CD1-CB 3.94Å; L216-C240 HydrophobicContact CD2-CB 4.41Å; C240-T242 PolarHBondContact SG-OG1 2.82Å
241C97.8Very high97.1Very high20 Ų2043 Ų4314%0.13524%0.244CC..  trans-11829.8177.8-590000111.5V147 T152V147-C241 WeakPolarHBondContact O-CA 3.4Å; V147-C241 PolarHBondContact O-N 3.01Å; T152-C241 HydrophobicContact CG2-CB 4.08Å
242T95.3Very high97.2Very high61 Ų6140.3 Ų40.337%0.37424%0.237SC..  trans-131.3168.3179.268.80000111.7P113 C240P113-T242 WeakPolarHBondContact CD-O 3.43Å; P113-T242 WeakPolarHBondContact CG-O 3.45Å; C240-T242 PolarHBondContact SG-OG1 2.82Å
243G92.8Very high97.1Very high45 Ų4542.1 Ų42.146%0.46425%0.253SS..  trans86.73117400000114.5
244I93.7Very high97Very high91 Ų9142.4 Ų42.447%0.46726%0.258SS..  trans-57.6137.4168.2-61.1-60.9000109.9D111 K117D111-I244 CarbonylContact O-C 3.43Å; D111-I244 WeakPolarHBondContact O-CA 3.15Å; K117-I244 HydrophobicContact CG-CD1 4.13Å
245R95.7Very high97Very high190 Ų19037.8 Ų37.872%0.71724%0.236SC*.EExtended strand (participates in β ladder)trans-135.6144.3177.9-60.1176.9-139.81804.6110.1S110 D111S110-R245 CarbonylContact C-O 3.59Å; S110-R245 WeakPolarHBondContact CA-O 3.34Å; S110-R245 VanDerWaalsContact CB-O 3.24Å; S110-R245 WeakPolarHBondContact CB-O 3.18Å; D111-R245 PolarHBondContact N-O 2.67Å; D111-R245 PolarHBondContact O-N 3.13Å
246I97.1Very high96.8Very high26 Ų2640.4 Ų40.413%0.13326%0.259CS..EExtended strand (participates in β ladder)trans-69.3138.1176.3-59.3-51.6000110.4S248 Y251 A264 D284 C285I246-S248 VanDerWaalsContact C-N 3.28Å; I246-S248 PolarHBondContact O-N 3.03Å; I246-Y251 VanDerWaalsContact CG2-OH 3.28Å; I246-Y251 WeakPolarHBondContact CG2-OH 3.33Å; I246-A264 HydrophobicContact CG1-CB 4.37Å; I246-D284 HydrophobicContact CD1-CB 4.26Å; I246-D284 WeakPolarHBondContact CD1-O 3.34Å; I246-C285 HydrophobicContact CG2-CB 4.07Å
247N96.9Very high96.7Very high46 Ų4643.4 Ų43.425%0.24629%0.291CS..  trans-79.876.9175.6-74.5-29.1000110.8T108 G109 D111 Y251T108-N247 VanDerWaalsContact CB-O 3.27Å; T108-N247 WeakPolarHBondContact CB-O 3.32Å; T108-N247 VanDerWaalsContact O-CB 3.29Å; T108-N247 WeakPolarHBondContact O-CB 3.48Å; T108-N247 PolarHBondContact O-ND2 3.19Å; T108-N247 PolarHBondContact OG1-O 2.8Å; G109-N247 PolarHBondContact O-N 3.22Å; D111-N247 WeakPolarHBondContact CB-OD1 3.41Å; N247-Y251 WeakPolarHBondContact O-CE1 3.36Å
248S97.5Very high96.7Very high28 Ų2844.1 Ų44.120%0.19630%0.296CS..  trans-91.8-10.4-176.760.30000115.1I246 A250 Y251 A252I246-S248 VanDerWaalsContact C-N 3.28Å; I246-S248 PolarHBondContact O-N 3.03Å; S248-A250 VanDerWaalsContact C-N 3.27Å; S248-A250 PolarHBondContact O-N 2.91Å; S248-Y251 VanDerWaalsContact CA-CZ 3.41Å; S248-Y251 VanDerWaalsContact CB-CE2 3.49Å; S248-Y251 CarbonylContact O-C 3.58Å; S248-Y251 PolarHBondContact O-N 2.89Å; S248-A252 WeakPolarHBondContact O-CB 2.86Å; S248-A252 PolarHBondContact O-N 3.44Å
249G96.8Very high96.6Very high59 Ų5945.5 Ų45.561%0.60830%0.303SS*.THydrogen-bonded Turntrans-49.2-43.2-170.900000114.6Y251G249-Y251 VanDerWaalsContact C-N 3.26Å; G249-Y251 PolarHBondContact O-N 2.96Å
250A96.8Very high96.6Very high11 Ų1146.6 Ų46.69%0.09131%0.312CS..THydrogen-bonded Turntrans-64.1-25.8-178.700000114.5V81 R83 V84 S248V81-A250 HydrophobicContact CB-CB 4.47Å; V81-A250 HydrophobicContact CG1-CB 4.08Å; R83-A250 CarbonylContact C-O 3.54Å; R83-A250 VanDerWaalsContact CA-O 3.26Å; R83-A250 WeakPolarHBondContact CA-O 3.5Å; V84-A250 PolarHBondContact N-O 3.32Å; S248-A250 VanDerWaalsContact C-N 3.27Å; S248-A250 PolarHBondContact O-N 2.91Å
251Y97.8Very high96.5Very high0 Ų051.9 Ų51.90%036%0.356CS..THydrogen-bonded Turntrans-125.7-2.4-174.258.2-108.9000113.8L106 T108 I246 N247 S248 G249 S253 S254 L255 M259 G263 L265 C285L106-Y251 HydrophobicContact CD1-CD1 4.08Å; L106-Y251 HydrophobicContact CD1-CG 4.48Å; T108-Y251 HydrophobicContact CG2-CD1 4.45Å; T108-Y251 HydrophobicContact CG2-CE1 4.22Å; I246-Y251 VanDerWaalsContact CG2-OH 3.28Å; I246-Y251 WeakPolarHBondContact CG2-OH 3.33Å; N247-Y251 WeakPolarHBondContact O-CE1 3.36Å; S248-Y251 VanDerWaalsContact CA-CZ 3.41Å; S248-Y251 VanDerWaalsContact CB-CE2 3.49Å; S248-Y251 CarbonylContact O-C 3.58Å; S248-Y251 PolarHBondContact O-N 2.89Å; G249-Y251 VanDerWaalsContact C-N 3.26Å; G249-Y251 PolarHBondContact O-N 2.96Å; Y251-S253 VanDerWaalsContact C-N 3.25Å; Y251-S253 PolarHBondContact O-N 3.17Å; Y251-S254 PolarHBondContact O-N 3.44Å; Y251-L255 PolarHBondContact O-N 3.18Å; Y251-M259 HydrophobicContact CD2-CE 4.39Å; Y251-M259 HydrophobicContact CD2-CG 4.3Å; Y251-M259 HydrophobicContact CD2-SD 3.76Å; Y251-M259 HydrophobicContact CE2-CE 4.06Å; Y251-M259 HydrophobicContact CE2-CG 4.16Å; Y251-M259 HydrophobicContact CE2-SD 3.91Å; Y251-G263 WeakPolarHBondContact CE2-O 3.41Å; Y251-G263 PolarHBondContact OH-O 3.39Å; Y251-L265 HydrophobicContact CD1-CD1 4.04Å; Y251-L265 HydrophobicContact CD2-CD1 4.15Å; Y251-L265 HydrophobicContact CD2-CD2 3.77Å; Y251-L265 HydrophobicContact CD2-CG 3.99Å; Y251-L265 HydrophobicContact CE1-CD1 3.86Å; Y251-L265 HydrophobicContact CE1-CG 4.37Å; Y251-L265 HydrophobicContact CE2-CD1 3.99Å; Y251-L265 HydrophobicContact CE2-CD2 3.86Å; Y251-L265 HydrophobicContact CE2-CG 3.63Å; Y251-L265 HydrophobicContact CG-CD1 4.18Å; Y251-L265 HydrophobicContact CG-CD2 4.39Å; Y251-C285 HydrophobicContact CE1-CB 4.49Å
252A97Very high96.3Very high35 Ų3555.7 Ų55.729%0.28938%0.375SS..THydrogen-bonded Turntrans-56.5-39-17300000112.9S248 A256 M259S248-A252 WeakPolarHBondContact O-CB 2.86Å; S248-A252 PolarHBondContact O-N 3.44Å; A252-A256 WeakPolarHBondContact O-CB 3.38Å; A252-M259 HydrophobicContact CB-CE 4.3Å
253S95.1Very high96.4Very high116 Ų11653.1 Ų53.181%0.81136%0.361SS*.THydrogen-bonded Turntrans-81.3-43.1-178.8-53.80000112.8Y251Y251-S253 VanDerWaalsContact C-N 3.25Å; Y251-S253 PolarHBondContact O-N 3.17Å
254S96.5Very high96.7Very high43 Ų4351 Ų5130%0.30134%0.339SS..THydrogen-bonded Turntrans-87.4-23.2-171.551.20000114.2V84 Y251V84-S254 WeakPolarHBondContact O-CB 3.47Å; V84-S254 PolarHBondContact O-OG 3.06Å; Y251-S254 PolarHBondContact O-N 3.44Å
255L97.4Very high96.9Very high2 Ų246.7 Ų46.71%0.0132%0.317CS..SBendtrans-115.920.6179.1-57.3-176.6000112.5P86 L106 Y251 G257 S258 M259 L265 F276P86-L255 HydrophobicContact CB-CD2 4.38Å; P86-L255 HydrophobicContact CG-CD2 4.08Å; L106-L255 HydrophobicContact CD1-CD1 3.9Å; Y251-L255 PolarHBondContact O-N 3.18Å; L255-G257 PolarHBondContact O-N 2.83Å; L255-G257 VanDerWaalsContact O-N 3.15Å; L255-S258 CarbonylContact O-C 3.58Å; L255-S258 WeakPolarHBondContact O-CA 3.32Å; L255-S258 PolarHBondContact O-N 2.82Å; L255-M259 WeakPolarHBondContact O-CG 3.35Å; L255-M259 PolarHBondContact O-N 2.93Å; L255-L265 HydrophobicContact CB-CD2 3.89Å; L255-L265 HydrophobicContact CD1-CD1 4.5Å; L255-L265 HydrophobicContact CD1-CD2 3.92Å; L255-F276 HydrophobicContact CD2-CD2 4.17Å; L255-F276 HydrophobicContact CD2-CE2 3.46Å; L255-F276 VanDerWaalsContact CD2-CE2 3.46Å; L255-F276 HydrophobicContact CD2-CZ 3.69Å
256A96.3Very high97.1Very high60 Ų6041 Ų4150%0.49630%0.297SS..G310 helixtrans-51.8-39.7-177.300000113.5A252 S258 M259A252-A256 WeakPolarHBondContact O-CB 3.38Å; A256-S258 PolarHBondContact O-N 3.47Å; A256-M259 PolarHBondContact O-N 3.33Å
257G96.7Very high97.1Very high70 Ų7040.6 Ų40.672%0.72230%0.296SS*.G310 helixtrans-64.7-24.1177.900000114L255L255-G257 PolarHBondContact O-N 2.83Å; L255-G257 VanDerWaalsContact O-N 3.15Å
258S97.7Very high97.2Very high14 Ų1441 Ų4110%0.09830%0.298CS..G310 helixtrans-102.916.9-178.7-49.10000112.2L255 A256 K266 E274L255-S258 CarbonylContact O-C 3.58Å; L255-S258 WeakPolarHBondContact O-CA 3.32Å; L255-S258 PolarHBondContact O-N 2.82Å; A256-S258 PolarHBondContact O-N 3.47Å; S258-K266 WeakPolarHBondContact O-CB 3.27Å; S258-K266 PolarHBondContact O-N 2.81Å; S258-E274 WeakPolarHBondContact CB-O 3.44Å; S258-E274 PolarHBondContact OG-O 3.04Å
259M98Very high97.2Very high30 Ų3045 Ų4515%0.14831%0.314CS..BIsolated β-bridgetrans-106148.1179.7-72.2167.362.700112.9Y251 A252 L255 A256 A264 L265 K266Y251-M259 HydrophobicContact CD2-CE 4.39Å; Y251-M259 HydrophobicContact CD2-CG 4.3Å; Y251-M259 HydrophobicContact CD2-SD 3.76Å; Y251-M259 HydrophobicContact CE2-CE 4.06Å; Y251-M259 HydrophobicContact CE2-CG 4.16Å; Y251-M259 HydrophobicContact CE2-SD 3.91Å; A252-M259 HydrophobicContact CB-CE 4.3Å; L255-M259 WeakPolarHBondContact O-CG 3.35Å; L255-M259 PolarHBondContact O-N 2.93Å; A256-M259 PolarHBondContact O-N 3.33Å; M259-A264 CarbonylContact C-O 3.59Å; M259-A264 VanDerWaalsContact CA-O 3.32Å; M259-A264 WeakPolarHBondContact CA-O 3.32Å; M259-L265 HydrophobicContact CG-CD2 3.88Å; M259-K266 WeakPolarHBondContact O-CE 3.34Å; M259-K266 PolarHBondContact O-NZ 3.42Å; M259-K266 VanDerWaalsContact O-NZ 3.1Å
260A97.4Very high97.2Very high23 Ų2345.2 Ų45.219%0.1930%0.297CS..  trans-81.2168.816300000110.8D262 G263 A264 D287A260-D262 PolarHBondContact O-N 3.15Å; A260-G263 PolarHBondContact O-N 3.07Å; A260-A264 PolarHBondContact N-O 3.14Å; A260-D287 HydrophobicContact CB-CB 4.38Å
261A95.9Very high97.3Very high119 Ų11944.7 Ų44.798%0.98329%0.292SS*.THydrogen-bonded Turntrans-64.4-24.4-174.800000114G263A261-G263 VanDerWaalsContact C-N 3.32Å
262D94.9Very high97.4Very high101 Ų10145.6 Ų45.654%0.5430%0.296SS..THydrogen-bonded Turntrans-88.60.9177.766.4-7.7000113.4A260 A264A260-D262 PolarHBondContact O-N 3.15Å; D262-A264 WeakPolarHBondContact OD1-CB 3.32Å; D262-A264 PolarHBondContact OD1-N 3.32Å
263G97.1Very high97.5Very high7 Ų744 Ų447%0.07228%0.283CS..SBendtrans89.31.3-179.800000115.2Y251 A260 A261Y251-G263 WeakPolarHBondContact CE2-O 3.41Å; Y251-G263 PolarHBondContact OH-O 3.39Å; A260-G263 PolarHBondContact O-N 3.07Å; A261-G263 VanDerWaalsContact C-N 3.32Å
264A98.2Very high97.6Very high0 Ų042.9 Ų42.90%027%0.265CS..PPolyproline II helixtrans-68.9146.8170.700000111.2I246 M259 A260 D262 C285 D287I246-A264 HydrophobicContact CG1-CB 4.37Å; M259-A264 CarbonylContact C-O 3.59Å; M259-A264 VanDerWaalsContact CA-O 3.32Å; M259-A264 WeakPolarHBondContact CA-O 3.32Å; A260-A264 PolarHBondContact N-O 3.14Å; D262-A264 WeakPolarHBondContact OD1-CB 3.32Å; D262-A264 PolarHBondContact OD1-N 3.32Å; A264-C285 CarbonylContact C-O 3.55Å; A264-C285 WeakPolarHBondContact CA-O 3.47Å; A264-D287 HydrophobicContact CB-CB 3.83Å
265L98.6Very high97.7Very high0 Ų044.6 Ų44.60%029%0.29CS..BIsolated β-bridgetrans-82.2124.9175.7-72.7163.9000109.9L106 Y251 L255 M259 V267 V273 A281 C285 D287L106-L265 HydrophobicContact CB-CD1 4.31Å; L106-L265 HydrophobicContact CD1-CD1 3.47Å; L106-L265 VanDerWaalsContact CD1-CD1 3.47Å; Y251-L265 HydrophobicContact CD1-CD1 4.04Å; Y251-L265 HydrophobicContact CD2-CD1 4.15Å; Y251-L265 HydrophobicContact CD2-CD2 3.77Å; Y251-L265 HydrophobicContact CD2-CG 3.99Å; Y251-L265 HydrophobicContact CE1-CD1 3.86Å; Y251-L265 HydrophobicContact CE1-CG 4.37Å; Y251-L265 HydrophobicContact CE2-CD1 3.99Å; Y251-L265 HydrophobicContact CE2-CD2 3.86Å; Y251-L265 HydrophobicContact CE2-CG 3.63Å; Y251-L265 HydrophobicContact CG-CD1 4.18Å; Y251-L265 HydrophobicContact CG-CD2 4.39Å; L255-L265 HydrophobicContact CB-CD2 3.89Å; L255-L265 HydrophobicContact CD1-CD1 4.5Å; L255-L265 HydrophobicContact CD1-CD2 3.92Å; M259-L265 HydrophobicContact CG-CD2 3.88Å; L265-V267 PolarHBondContact O-N 3.24Å; L265-V273 HydrophobicContact CB-CG2 4.34Å; L265-V273 HydrophobicContact CD1-CG2 4.12Å; L265-V273 HydrophobicContact CD2-CG1 4.08Å; L265-A281 HydrophobicContact CB-CB 3.89Å; L265-A281 HydrophobicContact CD1-CB 3.86Å; L265-C285 PolarHBondContact N-O 3.5Å; L265-D287 WeakPolarHBondContact O-CB 3.29Å; L265-D287 PolarHBondContact O-N 3.33Å
266K98.7Very high97.7Very high70 Ų7047.2 Ų47.230%0.30430%0.301SS..PPolyproline II helixtrans-65.4128.1170.5-62.8172.7-177.3154.60108.7S258 M259 V273 E274S258-K266 WeakPolarHBondContact O-CB 3.27Å; S258-K266 PolarHBondContact O-N 2.81Å; M259-K266 WeakPolarHBondContact O-CE 3.34Å; M259-K266 PolarHBondContact O-NZ 3.42Å; M259-K266 VanDerWaalsContact O-NZ 3.1Å; K266-V273 WeakPolarHBondContact O-CA 3.42Å; K266-E274 HydrophobicContact CB-CB 4.42Å; K266-E274 HydrophobicContact CB-CG 3.93Å; K266-E274 WeakPolarHBondContact CD-OE2 3.47Å; K266-E274 PolarHBondContact O-N 3.1Å
267V98.6Very high97.8Very high18 Ų1848.5 Ų48.511%0.10931%0.307CS..BIsolated β-bridgetrans-124.8147.5180-65.80000111.1L265 L271 Q272 A281 A286 L288L265-V267 PolarHBondContact O-N 3.24Å; V267-L271 HydrophobicContact CG2-CD2 4.24Å; V267-Q272 CarbonylContact C-O 3.56Å; V267-Q272 WeakPolarHBondContact CA-O 3.28Å; V267-Q272 WeakPolarHBondContact CB-O 3.47Å; V267-A281 HydrophobicContact CG1-CB 3.73Å; V267-A286 HydrophobicContact CG1-CB 4.41Å; V267-A286 HydrophobicContact CG2-CB 4.41Å; V267-L288 HydrophobicContact CG2-CD2 3.8Å; V267-L288 HydrophobicContact CG2-CG 4.08Å
268N97.9Very high97.8Very high55 Ų5546.2 Ų46.229%0.29428%0.278SS..  trans-75.4179.4168.47315.5000111.1Y270 L271 Q272N268-Y270 PolarHBondContact O-N 3.22Å; N268-Y270 WeakPolarHBondContact OD1-CA 3.4Å; N268-Y270 WeakPolarHBondContact OD1-CB 3.28Å; N268-Y270 PolarHBondContact OD1-N 3.36Å; N268-L271 PolarHBondContact O-N 3.03Å; N268-L271 PolarHBondContact OD1-N 3.48Å; N268-Q272 PolarHBondContact N-O 3.33Å; N268-Q272 PolarHBondContact ND2-OE1 2.92Å; N268-Q272 PolarHBondContact OD1-N 2.95Å; N268-Q272 VanDerWaalsContact OD1-N 3.17Å
269Q97.4Very high97.9Very high111 Ų11145.6 Ų45.652%0.51927%0.273SS..THydrogen-bonded Turntrans-62.2-11.7179.569.2-178.7-6.900114.5P319 Y320Q269-P319 HydrophobicContact CB-CB 4.32Å; Q269-P319 HydrophobicContact CG-CB 4.13Å; Q269-P319 CarbonylContact O-C 3.55Å; Q269-P319 VanDerWaalsContact O-CA 3.29Å; Q269-P319 WeakPolarHBondContact O-CA 3.37Å; Q269-Y320 PolarHBondContact O-N 3.06Å
270Y98.3Very high97.9Very high65 Ų6544.1 Ų44.126%0.25527%0.266SS..THydrogen-bonded Turntrans-99.87.2178.6-50.1-64.4000112.7N268 Q272 N307 L317 P319N268-Y270 PolarHBondContact O-N 3.22Å; N268-Y270 WeakPolarHBondContact OD1-CA 3.4Å; N268-Y270 WeakPolarHBondContact OD1-CB 3.28Å; N268-Y270 PolarHBondContact OD1-N 3.36Å; Y270-Q272 PolarHBondContact O-N 2.98Å; Y270-N307 PolarHBondContact O-ND2 2.93Å; Y270-L317 HydrophobicContact CD1-CB 3.42Å; Y270-L317 VanDerWaalsContact CD1-CB 3.42Å; Y270-L317 HydrophobicContact CD1-CD1 4.33Å; Y270-L317 HydrophobicContact CD2-CB 4.38Å; Y270-L317 HydrophobicContact CD2-CD1 3.9Å; Y270-L317 HydrophobicContact CE1-CB 3.67Å; Y270-L317 HydrophobicContact CE2-CD1 4.43Å; Y270-L317 HydrophobicContact CG-CB 3.81Å; Y270-L317 HydrophobicContact CG-CD1 3.83Å; Y270-L317 HydrophobicContact CG-CG 4.5Å; Y270-P319 HydrophobicContact CD1-CB 4.34Å; Y270-P319 HydrophobicContact CE1-CB 4.15Å
271L98.5Very high98Very high0 Ų043 Ų430%026%0.257CS..SBendtrans66.614-174.6-52.8-179.5000114.9V267 N268 F280 A281 L288 H300 I303 Y320V267-L271 HydrophobicContact CG2-CD2 4.24Å; N268-L271 PolarHBondContact O-N 3.03Å; N268-L271 PolarHBondContact OD1-N 3.48Å; L271-F280 HydrophobicContact CB-CD1 4.45Å; L271-F280 VanDerWaalsContact O-CA 3.24Å; L271-F280 WeakPolarHBondContact O-CA 3.24Å; L271-A281 PolarHBondContact O-N 3.27Å; L271-A281 VanDerWaalsContact O-N 3.1Å; L271-L288 HydrophobicContact CD2-CD1 3.75Å; L271-L288 HydrophobicContact CD2-CD2 4.31Å; L271-H300 HydrophobicContact CD1-CB 3.79Å; L271-H300 WeakPolarHBondContact CD1-O 3.17Å; L271-I303 HydrophobicContact CD1-CB 3.83Å; L271-I303 HydrophobicContact CD1-CG2 3.88Å; L271-I303 HydrophobicContact CG-CG2 4.12Å; L271-Y320 HydrophobicContact CD1-CG 4.43Å; L271-Y320 HydrophobicContact CD2-CD1 4.03Å; L271-Y320 HydrophobicContact CD2-CG 4.14Å; L271-Y320 HydrophobicContact CG-CG 4.48Å
272Q98.8Very high98.1Very high18 Ų1837.5 Ų37.58%0.08421%0.211CC..BIsolated β-bridgetrans-76.7137.4171-63.3167.7-53.800109.3V267 N268 Y270 E274 F276 S277 I279 F280V267-Q272 CarbonylContact C-O 3.56Å; V267-Q272 WeakPolarHBondContact CA-O 3.28Å; V267-Q272 WeakPolarHBondContact CB-O 3.47Å; N268-Q272 PolarHBondContact N-O 3.33Å; N268-Q272 PolarHBondContact ND2-OE1 2.92Å; N268-Q272 PolarHBondContact OD1-N 2.95Å; N268-Q272 VanDerWaalsContact OD1-N 3.17Å; Y270-Q272 PolarHBondContact O-N 2.98Å; Q272-E274 PolarHBondContact O-N 3.46Å; Q272-F276 WeakPolarHBondContact CB-O 3.38Å; Q272-S277 PolarHBondContact NE2-O 3.24Å; Q272-I279 CarbonylContact C-O 3.46Å; Q272-I279 WeakPolarHBondContact CA-O 3.38Å; Q272-F280 HydrophobicContact CB-CE1 4.48Å; Q272-F280 HydrophobicContact CG-CD1 3.89Å; Q272-F280 HydrophobicContact CG-CE1 3.37Å; Q272-F280 HydrophobicContact CG-CE2 4.38Å; Q272-F280 HydrophobicContact CG-CZ 3.65Å
273V98.8Very high98.2Very high1 Ų133 Ų331%0.00619%0.188CC..BIsolated β-bridgetrans-61.8133.1173.1178.60000108.9L265 K266 G275 F276 I279 A281L265-V273 HydrophobicContact CB-CG2 4.34Å; L265-V273 HydrophobicContact CD1-CG2 4.12Å; L265-V273 HydrophobicContact CD2-CG1 4.08Å; K266-V273 WeakPolarHBondContact O-CA 3.42Å; V273-G275 PolarHBondContact O-N 2.78Å; V273-F276 HydrophobicContact CB-CD2 4.4Å; V273-F276 HydrophobicContact CG1-CD2 4.07Å; V273-F276 PolarHBondContact O-N 3.28Å; V273-F276 VanDerWaalsContact O-O 3.11Å; V273-I279 HydrophobicContact CB-CB 4.41Å; V273-I279 HydrophobicContact CB-CG2 4.28Å; V273-I279 HydrophobicContact CG2-CB 4.36Å; V273-I279 HydrophobicContact CG2-CG2 3.77Å; V273-I279 PolarHBondContact N-O 2.77Å; V273-A281 HydrophobicContact CG2-CB 4.04Å
274E98.3Very high98.2Very high93 Ų9333.8 Ų33.844%0.43519%0.191SC..THydrogen-bonded Turntrans-53.4129.1179.6-72.5-175.1172.700111.2S258 K266 Q272S258-E274 WeakPolarHBondContact CB-O 3.44Å; S258-E274 PolarHBondContact OG-O 3.04Å; K266-E274 HydrophobicContact CB-CB 4.42Å; K266-E274 HydrophobicContact CB-CG 3.93Å; K266-E274 WeakPolarHBondContact CD-OE2 3.47Å; K266-E274 PolarHBondContact O-N 3.1Å; Q272-E274 PolarHBondContact O-N 3.46Å
275G97.4Very high98.2Very high79 Ų7933.8 Ų33.881%0.81419%0.191SC*.THydrogen-bonded Turntrans92.3-8.9-175.900000115.2V273V273-G275 PolarHBondContact O-N 2.78Å
276F98.3Very high98.2Very high57 Ų5733.8 Ų33.825%0.2519%0.191CC..  trans-130.7132.5-175.9-59.1-83.6000111.9P86 L255 Q272 V273 I279P86-F276 HydrophobicContact CB-CD1 4.18Å; P86-F276 HydrophobicContact CB-CE1 3.49Å; P86-F276 VanDerWaalsContact CB-CE1 3.49Å; P86-F276 HydrophobicContact CB-CZ 3.95Å; P86-F276 HydrophobicContact CG-CE1 4.12Å; P86-F276 HydrophobicContact CG-CZ 4.13Å; L255-F276 HydrophobicContact CD2-CD2 4.17Å; L255-F276 HydrophobicContact CD2-CE2 3.46Å; L255-F276 VanDerWaalsContact CD2-CE2 3.46Å; L255-F276 HydrophobicContact CD2-CZ 3.69Å; Q272-F276 WeakPolarHBondContact CB-O 3.38Å; V273-F276 HydrophobicContact CB-CD2 4.4Å; V273-F276 HydrophobicContact CG1-CD2 4.07Å; V273-F276 PolarHBondContact O-N 3.28Å; V273-F276 VanDerWaalsContact O-O 3.11Å; F276-I279 HydrophobicContact CB-CB 3.88Å; F276-I279 HydrophobicContact CB-CD1 4.1Å; F276-I279 HydrophobicContact CB-CG1 3.95Å; F276-I279 HydrophobicContact CD1-CD1 3.74Å; F276-I279 HydrophobicContact CD1-CG1 4.38Å; F276-I279 HydrophobicContact CD2-CD1 4.38Å; F276-I279 HydrophobicContact CE1-CD1 4.31Å; F276-I279 HydrophobicContact CG-CB 4.42Å; F276-I279 HydrophobicContact CG-CD1 3.79Å; F276-I279 HydrophobicContact CG-CG1 4.21Å
277S97.6Very high98.1Very high88 Ų8833.6 Ų33.662%0.61519%0.193SC*.SBendtrans-89.9-18.3176.656.50000113.2Q272Q272-S277 PolarHBondContact NE2-O 3.24Å
278N98.3Very high97.9Very high22 Ų2234 Ų3412%0.11820%0.195CC..SBendtrans-114.64.2-173.470.9-42.3000113.7Q89 S102 H103 L104Q89-N278 PolarHBondContact NE2-ND2 3.3Å; S102-N278 WeakPolarHBondContact O-CB 3.49Å; S102-N278 PolarHBondContact O-ND2 3.15Å; H103-N278 CarbonylContact C-O 3.47Å; H103-N278 VanDerWaalsContact CA-O 3.3Å; H103-N278 WeakPolarHBondContact CA-O 3.35Å; L104-N278 PolarHBondContact N-O 3.45Å
279I98.8Very high97.5Very high0 Ų042.8 Ų42.80%022%0.224CC..EExtended strand (participates in β ladder)trans-116.7128176.6-52.1-179000109P86 L104 L106 Q272 V273 F276P86-I279 HydrophobicContact CB-CD1 3.87Å; L104-I279 HydrophobicContact CB-CG1 4.28Å; L104-I279 HydrophobicContact CB-CG2 4.27Å; L104-I279 HydrophobicContact CD2-CG2 4.06Å; L104-I279 HydrophobicContact CG-CG2 4.29Å; L104-I279 CarbonylContact O-C 3.47Å; L104-I279 WeakPolarHBondContact O-CA 3.17Å; L106-I279 HydrophobicContact CD1-CG2 3.99Å; L106-I279 HydrophobicContact CG-CG2 4.42Å; Q272-I279 CarbonylContact C-O 3.46Å; Q272-I279 WeakPolarHBondContact CA-O 3.38Å; V273-I279 HydrophobicContact CB-CB 4.41Å; V273-I279 HydrophobicContact CB-CG2 4.28Å; V273-I279 HydrophobicContact CG2-CB 4.36Å; V273-I279 HydrophobicContact CG2-CG2 3.77Å; V273-I279 PolarHBondContact N-O 2.77Å; F276-I279 HydrophobicContact CB-CB 3.88Å; F276-I279 HydrophobicContact CB-CD1 4.1Å; F276-I279 HydrophobicContact CB-CG1 3.95Å; F276-I279 HydrophobicContact CD1-CD1 3.74Å; F276-I279 HydrophobicContact CD1-CG1 4.38Å; F276-I279 HydrophobicContact CD2-CD1 4.38Å; F276-I279 HydrophobicContact CE1-CD1 4.31Å; F276-I279 HydrophobicContact CG-CB 4.42Å; F276-I279 HydrophobicContact CG-CD1 3.79Å; F276-I279 HydrophobicContact CG-CG1 4.21Å
280F98.9Very high97.2Very high0 Ų038.2 Ų38.20%020%0.202CC..EExtended strand (participates in β ladder)trans-119.7146.1-179.3-63.9-101.2000110.3L104 L106 L271 Q272 A304 N307 I308L104-F280 PolarHBondContact O-N 2.88Å; L106-F280 PolarHBondContact N-O 3.15Å; L271-F280 HydrophobicContact CB-CD1 4.45Å; L271-F280 VanDerWaalsContact O-CA 3.24Å; L271-F280 WeakPolarHBondContact O-CA 3.24Å; Q272-F280 HydrophobicContact CB-CE1 4.48Å; Q272-F280 HydrophobicContact CG-CD1 3.89Å; Q272-F280 HydrophobicContact CG-CE1 3.37Å; Q272-F280 HydrophobicContact CG-CE2 4.38Å; Q272-F280 HydrophobicContact CG-CZ 3.65Å; F280-A304 HydrophobicContact CB-CB 4.04Å; F280-A304 HydrophobicContact CD1-CB 3.93Å; F280-A304 HydrophobicContact CG-CB 4.13Å; F280-N307 HydrophobicContact CE1-CB 3.82Å; F280-N307 HydrophobicContact CZ-CB 4.18Å; F280-I308 HydrophobicContact CD2-CD1 4.08Å; F280-I308 HydrophobicContact CD2-CG1 3.97Å; F280-I308 HydrophobicContact CE2-CD1 4.06Å; F280-I308 HydrophobicContact CE2-CG1 3.43Å; F280-I308 VanDerWaalsContact CE2-CG1 3.43Å; F280-I308 HydrophobicContact CZ-CG1 3.85Å
281A98.7Very high96.8Very high0 Ų035.2 Ų35.20%019%0.191CC..EExtended strand (participates in β ladder)trans-116.3134.4170.800000110.6L106 L265 V267 L271 V273 A286L106-A281 WeakPolarHBondContact O-CA 3.26Å; L265-A281 HydrophobicContact CB-CB 3.89Å; L265-A281 HydrophobicContact CD1-CB 3.86Å; V267-A281 HydrophobicContact CG1-CB 3.73Å; L271-A281 PolarHBondContact O-N 3.27Å; L271-A281 VanDerWaalsContact O-N 3.1Å; V273-A281 HydrophobicContact CG2-CB 4.04Å; A281-A286 HydrophobicContact CB-CB 4.02Å
282V98.3Very high96.4Very high2 Ų239 Ų391%0.01221%0.207CC..  trans-134.8131.9-169.1163.70000110.4I105 L106 C285 A297 H300 A301 A304I105-V282 HydrophobicContact CG2-CB 4.16Å; I105-V282 HydrophobicContact CG2-CG2 3.7Å; L106-V282 PolarHBondContact O-N 3.33Å; V282-C285 PolarHBondContact O-SG 3.25Å; V282-C285 VanDerWaalsContact O-SG 3.37Å; V282-A297 WeakPolarHBondContact CG1-O 3.37Å; V282-H300 HydrophobicContact CB-CB 4.22Å; V282-H300 HydrophobicContact CG1-CB 3.79Å; V282-H300 HydrophobicContact CG2-CB 4.14Å; V282-A301 HydrophobicContact CG1-CB 4.1Å; V282-A304 HydrophobicContact CG2-CB 3.76Å
283G97.6Very high96.2Very high6 Ų639.6 Ų39.66%0.06221%0.211CC..G310 helixtrans80.1-144177.600000112.4C285 A286 H300G283-C285 PolarHBondContact O-N 2.95Å; G283-A286 PolarHBondContact O-N 3.45Å; G283-A286 VanDerWaalsContact O-N 3.12Å; G283-H300 PolarHBondContact N-ND1 2.7Å
284D97.3Very high96Very high25 Ų2541 Ų4113%0.13422%0.223CC..G310 helixtrans-61.2-30.8-169.2-61.16000113.5S110 K117 I246 A286 K292S110-D284 WeakPolarHBondContact CB-OD2 3.08Å; S110-D284 PolarHBondContact OG-OD2 3.49Å; K117-D284 IonicContact NZ-OD2 2.79Å; I246-D284 HydrophobicContact CD1-CB 4.26Å; I246-D284 WeakPolarHBondContact CD1-O 3.34Å; D284-A286 PolarHBondContact O-N 3.14Å; D284-K292 WeakPolarHBondContact OD1-CB 3.34Å
285C97.9Very high95.8Very high0 Ų041.9 Ų41.90%022%0.223CC..G310 helixtrans-74.8-7.9-179.164.70000114.2L106 T108 I246 Y251 A264 L265 V282 G283L106-C285 PolarHBondContact O-SG 2.88Å; T108-C285 WeakPolarHBondContact OG1-CB 3.22Å; I246-C285 HydrophobicContact CG2-CB 4.07Å; Y251-C285 HydrophobicContact CE1-CB 4.49Å; A264-C285 CarbonylContact C-O 3.55Å; A264-C285 WeakPolarHBondContact CA-O 3.47Å; L265-C285 PolarHBondContact N-O 3.5Å; V282-C285 PolarHBondContact O-SG 3.25Å; V282-C285 VanDerWaalsContact O-SG 3.37Å; G283-C285 PolarHBondContact O-N 2.95Å
286A98.1Very high95.7Very high0 Ų038.5 Ų38.50%019%0.186CC..BIsolated β-bridgetrans-88.5135.2173.400000111.1V267 A281 G283 D284 L288 K292V267-A286 HydrophobicContact CG1-CB 4.41Å; V267-A286 HydrophobicContact CG2-CB 4.41Å; A281-A286 HydrophobicContact CB-CB 4.02Å; G283-A286 PolarHBondContact O-N 3.45Å; G283-A286 VanDerWaalsContact O-N 3.12Å; D284-A286 PolarHBondContact O-N 3.14Å; A286-L288 HydrophobicContact CB-CD1 4.14Å; A286-L288 HydrophobicContact CB-CG 4.24Å; A286-L288 PolarHBondContact O-N 2.83Å; A286-K292 PolarHBondContact O-NZ 3.48Å
287D97.1Very high95.6Very high65 Ų6536.1 Ų36.135%0.34818%0.177SC..  trans-77.671.9175.8-174.218.8000111A260 A264 L265A260-D287 HydrophobicContact CB-CB 4.38Å; A264-D287 HydrophobicContact CB-CB 3.83Å; L265-D287 WeakPolarHBondContact O-CB 3.29Å; L265-D287 PolarHBondContact O-N 3.33Å
288L94.6Very high95.6Very high27 Ų2733 Ų3314%0.14116%0.159CC..  trans-111.3133.2173.4-64.2168.4000109.7V267 L271 A286 E290 K292 H300 Y320V267-L288 HydrophobicContact CG2-CD2 3.8Å; V267-L288 HydrophobicContact CG2-CG 4.08Å; L271-L288 HydrophobicContact CD2-CD1 3.75Å; L271-L288 HydrophobicContact CD2-CD2 4.31Å; A286-L288 HydrophobicContact CB-CD1 4.14Å; A286-L288 HydrophobicContact CB-CG 4.24Å; A286-L288 PolarHBondContact O-N 2.83Å; L288-E290 HydrophobicContact CB-CG 3.91Å; L288-E290 PolarHBondContact O-N 3.16Å; L288-K292 PolarHBondContact O-NZ 3.39Å; L288-H300 VanDerWaalsContact CD1-CE1 3.41Å; L288-H300 WeakPolarHBondContact CD1-CE1 3.42Å; L288-H300 VanDerWaalsContact CD1-NE2 3.27Å; L288-H300 WeakPolarHBondContact CD1-NE2 3.43Å; L288-Y320 HydrophobicContact CD1-CD1 4.11Å; L288-Y320 HydrophobicContact CD1-CE1 3.94Å; L288-Y320 HydrophobicContact CD2-CD1 4.4Å
289R89.5Confident95.5Very high240 Ų24035 Ų3591%0.90617%0.169SC*.SBendtrans-7870.5179.3-63.9-175.2-175.5-179.62.4111.5
290E90Very high95.4Very high15 Ų1535.1 Ų35.17%0.0717%0.17CC..SBendtrans-153.1165.2178.651.1166.9-128.600110.8L288 K292 H296 H300 Y320 T322L288-E290 HydrophobicContact CB-CG 3.91Å; L288-E290 PolarHBondContact O-N 3.16Å; E290-K292 PolarHBondContact O-N 3.41Å; E290-H296 VanDerWaalsContact OE1-CB 3.26Å; E290-H296 WeakPolarHBondContact OE1-CB 3.37Å; E290-H296 IonicContact OE1-CE1 3.84Å; E290-H296 IonicContact OE1-CG 3Å; E290-H296 IonicContact OE1-ND1 3.3Å; E290-H296 PolarHBondContact OE1-ND1 3.11Å; E290-H296 IonicContact OE2-ND1 2.8Å; E290-H300 IonicContact OE1-CE1 3.7Å; E290-H300 PolarHBondContact OE1-CE1 2.98Å; E290-H300 IonicContact OE1-NE2 3.51Å; E290-H300 PolarHBondContact OE1-NE2 3.03Å; E290-H300 VanDerWaalsContact OE1-NE2 3.13Å; E290-H300 IonicContact OE2-NE2 2.69Å; E290-Y320 WeakPolarHBondContact OE2-CE1 3.3Å; E290-Y320 PolarHBondContact OE2-OH 3.22Å; E290-T322 HydrophobicContact CB-CG2 4.33Å; E290-T322 HydrophobicContact CG-CG2 4.34Å
291A89.3Confident95.4Very high1 Ų135.1 Ų35.11%0.00817%0.17CC..  trans-60.3132.7173.100000110.5L293 H296 V325 M327A291-L293 HydrophobicContact CB-CD1 3.95Å; A291-L293 HydrophobicContact CB-CD2 4.49Å; A291-L293 HydrophobicContact CB-CG 3.96Å; A291-L293 PolarHBondContact O-N 2.85Å; A291-L293 VanDerWaalsContact O-N 3.17Å; A291-H296 PolarHBondContact O-ND1 3.17Å; A291-V325 HydrophobicContact CB-CG1 4.24Å; A291-V325 HydrophobicContact CB-CG2 4.18Å; A291-M327 HydrophobicContact CB-CE 4.11Å
292K91.9Very high95.4Very high79 Ų7941.7 Ų41.734%0.34320%0.195SC..  trans-77.4100.3178.2-59.9-46-165.1-173.80109.8D284 A286 L288 E290D284-K292 WeakPolarHBondContact OD1-CB 3.34Å; A286-K292 PolarHBondContact O-NZ 3.48Å; L288-K292 PolarHBondContact O-NZ 3.39Å; E290-K292 PolarHBondContact O-N 3.41Å
293L93.6Very high95.4Very high32 Ų3242.4 Ų42.417%0.16820%0.199CC..  trans-131.5144.5-171-60174.6000112A291 Y295 H296 A297 S326 M327A291-L293 HydrophobicContact CB-CD1 3.95Å; A291-L293 HydrophobicContact CB-CD2 4.49Å; A291-L293 HydrophobicContact CB-CG 3.96Å; A291-L293 PolarHBondContact O-N 2.85Å; A291-L293 VanDerWaalsContact O-N 3.17Å; L293-Y295 PolarHBondContact O-N 2.85Å; L293-H296 PolarHBondContact O-N 2.91Å; L293-H296 VanDerWaalsContact O-N 3.07Å; L293-A297 PolarHBondContact O-N 2.79Å; L293-S326 WeakPolarHBondContact CD1-O 3.29Å; L293-M327 HydrophobicContact CD1-CB 4.34Å; L293-M327 HydrophobicContact CD1-CE 4.45Å; L293-M327 HydrophobicContact CD2-CE 3.59Å; L293-M327 HydrophobicContact CD2-CG 4.48Å; L293-M327 HydrophobicContact CG-CE 4.46Å
294A94.6Very high95.4Very high31 Ų3142.1 Ų42.126%0.25620%0.196SC..Hα-helixtrans-52-38170.400000112.6F20 V49 A297 G298F20-A294 HydrophobicContact CB-CB 4.18Å; F20-A294 HydrophobicContact CD1-CB 3.83Å; F20-A294 HydrophobicContact CD2-CB 3.36Å; F20-A294 HydrophobicContact CE1-CB 3.96Å; F20-A294 HydrophobicContact CE2-CB 3.52Å; F20-A294 HydrophobicContact CG-CB 3.52Å; F20-A294 HydrophobicContact CZ-CB 3.82Å; V49-A294 HydrophobicContact CG2-CB 3.96Å; A294-A297 PolarHBondContact O-N 3.34Å; A294-G298 PolarHBondContact O-N 3.04Å
295Y93.7Very high95.5Very high110 Ų11041 Ų4143%0.43119%0.19SC..Hα-helixtrans-61.1-48.5176.3176.3-115.3000112.3L293 G298 L299L293-Y295 PolarHBondContact O-N 2.85Å; Y295-G298 PolarHBondContact O-N 2.99Å; Y295-L299 HydrophobicContact CD1-CD1 4.31Å; Y295-L299 HydrophobicContact CE1-CD1 3.73Å; Y295-L299 PolarHBondContact O-N 3.03Å
296H95.4Very high95.5Very high8 Ų842.1 Ų42.14%0.03720%0.198CC..Hα-helixtrans-68-37.9178.3-62.7168000112E290 A291 L293 G298 L299 H300E290-H296 VanDerWaalsContact OE1-CB 3.26Å; E290-H296 WeakPolarHBondContact OE1-CB 3.37Å; E290-H296 IonicContact OE1-CE1 3.84Å; E290-H296 IonicContact OE1-CG 3Å; E290-H296 IonicContact OE1-ND1 3.3Å; E290-H296 PolarHBondContact OE1-ND1 3.11Å; E290-H296 IonicContact OE2-ND1 2.8Å; A291-H296 PolarHBondContact O-ND1 3.17Å; L293-H296 PolarHBondContact O-N 2.91Å; L293-H296 VanDerWaalsContact O-N 3.07Å; H296-G298 PolarHBondContact O-N 3.2Å; H296-L299 CarbonylContact O-C 3.57Å; H296-L299 WeakPolarHBondContact O-CB 3.41Å; H296-L299 PolarHBondContact O-N 2.68Å; H296-H300 WeakPolarHBondContact O-CB 3.49Å; H296-H300 PolarHBondContact O-CD2 3.33Å; H296-H300 PolarHBondContact O-N 3.3Å; H296-H300 PolarHBondContact O-ND1 2.89Å
297A97.1Very high95.5Very high8 Ų842.1 Ų42.17%0.06620%0.198CC..Hα-helixtrans-55.8-38.8174.700000112.2F20 G21 V282 L293 A294 A301F20-A297 HydrophobicContact CB-CB 4.22Å; G21-A297 WeakPolarHBondContact CA-O 3.34Å; V282-A297 WeakPolarHBondContact CG1-O 3.37Å; L293-A297 PolarHBondContact O-N 2.79Å; A294-A297 PolarHBondContact O-N 3.34Å; A297-A301 WeakPolarHBondContact O-CB 3.33Å; A297-A301 PolarHBondContact O-N 3.35Å
298G96.4Very high95.5Very high23 Ų2339 Ų3924%0.23718%0.182CC..Hα-helixtrans-66.9-40.8172.700000113.7A294 Y295 H296 A301 Y302A294-G298 PolarHBondContact O-N 3.04Å; Y295-G298 PolarHBondContact O-N 2.99Å; H296-G298 PolarHBondContact O-N 3.2Å; G298-A301 PolarHBondContact O-N 3.21Å; G298-Y302 PolarHBondContact O-N 3.11Å
299L96.1Very high95.6Very high64 Ų6439.4 Ų39.434%0.33518%0.183SC..Hα-helixtrans-64.2-42.4174.9-65.2-179.9000111.9Y295 H296 Y302 I303 Y320Y295-L299 HydrophobicContact CD1-CD1 4.31Å; Y295-L299 HydrophobicContact CE1-CD1 3.73Å; Y295-L299 PolarHBondContact O-N 3.03Å; H296-L299 CarbonylContact O-C 3.57Å; H296-L299 WeakPolarHBondContact O-CB 3.41Å; H296-L299 PolarHBondContact O-N 2.68Å; L299-Y302 WeakPolarHBondContact O-CB 3.27Å; L299-Y302 PolarHBondContact O-N 3.39Å; L299-I303 PolarHBondContact O-N 2.8Å; L299-Y320 HydrophobicContact CB-CE2 4.3Å
300H98.3Very high95.9Very high2 Ų228.8 Ų28.81%0.00915%0.146CC..Hα-helixtrans-59.7-46.7175.3-65.5160.5000111.3L271 V282 G283 L288 E290 H296 Y302 I303 A304 Y320L271-H300 HydrophobicContact CD1-CB 3.79Å; L271-H300 WeakPolarHBondContact CD1-O 3.17Å; V282-H300 HydrophobicContact CB-CB 4.22Å; V282-H300 HydrophobicContact CG1-CB 3.79Å; V282-H300 HydrophobicContact CG2-CB 4.14Å; G283-H300 PolarHBondContact N-ND1 2.7Å; L288-H300 VanDerWaalsContact CD1-CE1 3.41Å; L288-H300 WeakPolarHBondContact CD1-CE1 3.42Å; L288-H300 VanDerWaalsContact CD1-NE2 3.27Å; L288-H300 WeakPolarHBondContact CD1-NE2 3.43Å; E290-H300 IonicContact OE1-CE1 3.7Å; E290-H300 PolarHBondContact OE1-CE1 2.98Å; E290-H300 IonicContact OE1-NE2 3.51Å; E290-H300 PolarHBondContact OE1-NE2 3.03Å; E290-H300 VanDerWaalsContact OE1-NE2 3.13Å; E290-H300 IonicContact OE2-NE2 2.69Å; H296-H300 WeakPolarHBondContact O-CB 3.49Å; H296-H300 PolarHBondContact O-CD2 3.33Å; H296-H300 PolarHBondContact O-N 3.3Å; H296-H300 PolarHBondContact O-ND1 2.89Å; H300-Y302 VanDerWaalsContact C-N 3.28Å; H300-Y302 PolarHBondContact O-N 2.83Å; H300-I303 PolarHBondContact O-N 2.94Å; H300-A304 WeakPolarHBondContact O-CB 3.34Å; H300-A304 PolarHBondContact O-N 2.65Å; H300-Y320 AromaticContact CD2-CE1 3.65Å; H300-Y320 AromaticContact CD2-CE2 3.58Å; H300-Y320 AromaticContact CD2-CZ 3.37Å; H300-Y320 AromaticContact NE2-CE1 3.24Å; H300-Y320 WeakPolarHBondContact NE2-CE1 3.45Å; H300-Y320 AromaticContact NE2-CE2 3.85Å; H300-Y320 AromaticContact NE2-CZ 3.12Å; H300-Y320 PolarHBondContact NE2-OH 2.68Å; H300-Y320 VanDerWaalsContact NE2-OH 3.16Å
301A98.3Very high96.2Very high0 Ų030.4 Ų30.40%016%0.159CC..Hα-helixtrans-58-41.917600000111.9G21 A24 A25 V282 A297 G298 A304 V305G21-A301 VanDerWaalsContact O-CB 3.26Å; G21-A301 WeakPolarHBondContact O-CB 3.17Å; A24-A301 HydrophobicContact CB-CB 3.77Å; A25-A301 HydrophobicContact CB-CB 4.04Å; V282-A301 HydrophobicContact CG1-CB 4.1Å; A297-A301 WeakPolarHBondContact O-CB 3.33Å; A297-A301 PolarHBondContact O-N 3.35Å; G298-A301 PolarHBondContact O-N 3.21Å; A301-A304 PolarHBondContact O-N 2.83Å; A301-V305 WeakPolarHBondContact O-CG2 2.97Å; A301-V305 PolarHBondContact O-N 3.34Å
302Y97.9Very high96.4Very high137 Ų13733 Ų3354%0.53717%0.172SC..Hα-helixtrans-59.7-47175.4177.6-95.2000113.3Q28 G298 L299 H300 S306Q28-Y302 VanDerWaalsContact NE2-CA 3.33Å; Q28-Y302 VanDerWaalsContact OE1-CA 3.27Å; G298-Y302 PolarHBondContact O-N 3.11Å; L299-Y302 WeakPolarHBondContact O-CB 3.27Å; L299-Y302 PolarHBondContact O-N 3.39Å; H300-Y302 VanDerWaalsContact C-N 3.28Å; H300-Y302 PolarHBondContact O-N 2.83Å; Y302-S306 WeakPolarHBondContact O-CB 3.49Å; Y302-S306 PolarHBondContact O-N 3.34Å; Y302-S306 PolarHBondContact O-OG 2.88Å
303I98.3Very high96.4Very high17 Ų1731.7 Ų31.79%0.08717%0.173CC..Hα-helixtrans-65.4-45.4177.5-65.4-60.9000111.3L271 L299 H300 S306 N307 T318 Y320L271-I303 HydrophobicContact CD1-CB 3.83Å; L271-I303 HydrophobicContact CD1-CG2 3.88Å; L271-I303 HydrophobicContact CG-CG2 4.12Å; L299-I303 PolarHBondContact O-N 2.8Å; H300-I303 PolarHBondContact O-N 2.94Å; I303-S306 PolarHBondContact O-N 3.26Å; I303-N307 WeakPolarHBondContact CG2-ND2 3.43Å; I303-N307 VanDerWaalsContact O-CB 3.29Å; I303-N307 WeakPolarHBondContact O-CB 3.2Å; I303-N307 VanDerWaalsContact O-CG 3.27Å; I303-N307 PolarHBondContact O-N 2.8Å; I303-N307 PolarHBondContact O-ND2 3.07Å; I303-T318 HydrophobicContact CD1-CG2 3.95Å; I303-Y320 HydrophobicContact CG1-CD2 4.05Å
304A98.6Very high96.3Very high0 Ų033.6 Ų33.60%020%0.2CC..Hα-helixtrans-59.6-50.9-179.400000111.8F280 V282 H300 A301 S306 N307 I308F280-A304 HydrophobicContact CB-CB 4.04Å; F280-A304 HydrophobicContact CD1-CB 3.93Å; F280-A304 HydrophobicContact CG-CB 4.13Å; V282-A304 HydrophobicContact CG2-CB 3.76Å; H300-A304 WeakPolarHBondContact O-CB 3.34Å; H300-A304 PolarHBondContact O-N 2.65Å; A301-A304 PolarHBondContact O-N 2.83Å; A304-S306 PolarHBondContact O-N 3.24Å; A304-N307 PolarHBondContact O-N 2.79Å; A304-I308 WeakPolarHBondContact O-CG1 3.28Å; A304-I308 PolarHBondContact O-N 3.49Å
305V98.6Very high96.3Very high2 Ų238.4 Ų38.41%0.01222%0.215CC..Hα-helixtrans-65-41.8178.8176.40000111.3A25 Q28 L29 I105 A301 N307 I308 I309A25-V305 HydrophobicContact CB-CG2 3.99Å; Q28-V305 HydrophobicContact CB-CB 4.26Å; Q28-V305 HydrophobicContact CB-CG1 3.9Å; Q28-V305 HydrophobicContact CB-CG2 4.31Å; L29-V305 HydrophobicContact CD2-CG1 3.94Å; L29-V305 HydrophobicContact CD2-CG2 4.32Å; L29-V305 HydrophobicContact CG-CG1 4.17Å; L29-V305 HydrophobicContact CG-CG2 4.04Å; I105-V305 HydrophobicContact CD1-CG2 3.88Å; A301-V305 WeakPolarHBondContact O-CG2 2.97Å; A301-V305 PolarHBondContact O-N 3.34Å; V305-N307 PolarHBondContact O-N 2.75Å; V305-I308 PolarHBondContact O-N 2.82Å; V305-I309 HydrophobicContact CG1-CD1 4.01Å; V305-I309 WeakPolarHBondContact O-CG1 3.16Å; V305-I309 PolarHBondContact O-N 3.43Å
306S98Very high96.4Very high24 Ų2438.7 Ų38.717%0.16823%0.231CC..Hα-helixtrans-60.7-36.1176-62.20000112.3Y302 I303 A304 I309 S310Y302-S306 WeakPolarHBondContact O-CB 3.49Å; Y302-S306 PolarHBondContact O-N 3.34Å; Y302-S306 PolarHBondContact O-OG 2.88Å; I303-S306 PolarHBondContact O-N 3.26Å; A304-S306 PolarHBondContact O-N 3.24Å; S306-I309 PolarHBondContact O-N 3.04Å; S306-S310 WeakPolarHBondContact O-CB 3.11Å; S306-S310 PolarHBondContact O-N 3.2Å; S306-S310 PolarHBondContact O-OG 3.41Å
307N98.5Very high96.6Very high0 Ų040.3 Ų40.30%024%0.24CC..Hα-helixtrans-75.5-33178.1-76.4-18.5000112.9Y270 F280 I303 A304 V305 S310 S311 L317 T318Y270-N307 PolarHBondContact O-ND2 2.93Å; F280-N307 HydrophobicContact CE1-CB 3.82Å; F280-N307 HydrophobicContact CZ-CB 4.18Å; I303-N307 WeakPolarHBondContact CG2-ND2 3.43Å; I303-N307 VanDerWaalsContact O-CB 3.29Å; I303-N307 WeakPolarHBondContact O-CB 3.2Å; I303-N307 VanDerWaalsContact O-CG 3.27Å; I303-N307 PolarHBondContact O-N 2.8Å; I303-N307 PolarHBondContact O-ND2 3.07Å; A304-N307 PolarHBondContact O-N 2.79Å; V305-N307 PolarHBondContact O-N 2.75Å; N307-S310 PolarHBondContact O-N 2.98Å; N307-S311 WeakPolarHBondContact O-CB 3.37Å; N307-S311 PolarHBondContact O-N 3.32Å; N307-S311 PolarHBondContact O-OG 3.25Å; N307-L317 HydrophobicContact CB-CD2 4.02Å; N307-L317 WeakPolarHBondContact O-CD2 3.38Å; N307-T318 PolarHBondContact ND2-O 2.91Å; N307-T318 PolarHBondContact OD1-N 3.28Å; N307-T318 PolarHBondContact OD1-O 3.09Å
308I97.9Very high96.6Very high0 Ų043 Ų430%026%0.256CS..Hα-helixtrans-62.1-45.6168.5-67.6166.9000110.4V13 H103 I105 F280 A304 V305 S310 S311 L312V13-I308 HydrophobicContact CG1-CD1 4.21Å; V13-I308 HydrophobicContact CG2-CG2 4.4Å; H103-I308 HydrophobicContact CB-CD1 4.1Å; H103-I308 HydrophobicContact CB-CG1 4.33Å; H103-I308 HydrophobicContact CB-CG2 4.38Å; I105-I308 HydrophobicContact CD1-CD1 3.76Å; I105-I308 HydrophobicContact CG1-CD1 3.86Å; F280-I308 HydrophobicContact CD2-CD1 4.08Å; F280-I308 HydrophobicContact CD2-CG1 3.97Å; F280-I308 HydrophobicContact CE2-CD1 4.06Å; F280-I308 HydrophobicContact CE2-CG1 3.43Å; F280-I308 VanDerWaalsContact CE2-CG1 3.43Å; F280-I308 HydrophobicContact CZ-CG1 3.85Å; A304-I308 WeakPolarHBondContact O-CG1 3.28Å; A304-I308 PolarHBondContact O-N 3.49Å; V305-I308 PolarHBondContact O-N 2.82Å; I308-S310 VanDerWaalsContact C-N 3.31Å; I308-S310 PolarHBondContact O-N 3.17Å; I308-S311 PolarHBondContact O-N 2.9Å; I308-S311 PolarHBondContact O-OG 3.44Å; I308-L312 HydrophobicContact CG2-CD1 3.99Å; I308-L312 WeakPolarHBondContact O-CD1 3.44Å; I308-L312 VanDerWaalsContact O-CG 3.31Å; I308-L312 WeakPolarHBondContact O-CG 3.38Å; I308-L312 PolarHBondContact O-N 3.03Å; I308-L312 VanDerWaalsContact O-N 3.16Å
309I96.1Very high96.7Very high34 Ų3444.1 Ų44.117%0.17426%0.258CS..Hα-helixtrans-63.5-41.3177.4-66.1168000110.8V5 A32 F34 V305 S306 S313V5-I309 HydrophobicContact CG1-CG2 4.24Å; V5-I309 HydrophobicContact CG2-CG2 4.11Å; A32-I309 HydrophobicContact CB-CD1 3.94Å; F34-I309 HydrophobicContact CE2-CD1 4.12Å; F34-I309 HydrophobicContact CE2-CG1 3.63Å; F34-I309 HydrophobicContact CZ-CG1 3.71Å; V305-I309 HydrophobicContact CG1-CD1 4.01Å; V305-I309 WeakPolarHBondContact O-CG1 3.16Å; V305-I309 PolarHBondContact O-N 3.43Å; S306-I309 PolarHBondContact O-N 3.04Å; I309-S313 WeakPolarHBondContact O-CB 3.18Å; I309-S313 PolarHBondContact O-N 2.8Å; I309-S313 VanDerWaalsContact O-N 3.15Å; I309-S313 PolarHBondContact O-OG 3.37Å
310S96.3Very high96.7Very high17 Ų1742.4 Ų42.412%0.11925%0.248CC..Hα-helixtrans-67.7-42.7-179.6-600000111.6S306 N307 I308 L312 S313 G314 K315S306-S310 WeakPolarHBondContact O-CB 3.11Å; S306-S310 PolarHBondContact O-N 3.2Å; S306-S310 PolarHBondContact O-OG 3.41Å; N307-S310 PolarHBondContact O-N 2.98Å; I308-S310 VanDerWaalsContact C-N 3.31Å; I308-S310 PolarHBondContact O-N 3.17Å; S310-L312 VanDerWaalsContact C-N 3.35Å; S310-L312 PolarHBondContact O-N 3.17Å; S310-S313 CarbonylContact O-C 3.57Å; S310-S313 PolarHBondContact O-N 3.2Å; S310-S313 PolarHBondContact O-OG 3.32Å; S310-G314 PolarHBondContact O-N 3.16Å; S310-G314 VanDerWaalsContact O-N 3.09Å; S310-K315 PolarHBondContact O-N 2.98Å
311S95.3Very high96.4Very high50 Ų5052.2 Ų52.235%0.3529%0.285SS..Hα-helixtrans-61.5-43177.766.80000111.8N307 I308 S313 G314N307-S311 WeakPolarHBondContact O-CB 3.37Å; N307-S311 PolarHBondContact O-N 3.32Å; N307-S311 PolarHBondContact O-OG 3.25Å; I308-S311 PolarHBondContact O-N 2.9Å; I308-S311 PolarHBondContact O-OG 3.44Å; S311-S313 VanDerWaalsContact C-N 3.3Å; S311-S313 PolarHBondContact O-N 3.38Å; S311-G314 PolarHBondContact O-N 3.42Å
312L94.1Very high95.9Very high55 Ų5556 Ų5629%0.28831%0.308SS..Hα-helixtrans-69.1-26.4179.1-70.1169.4000113.7V11 F34 I308 S310V11-L312 HydrophobicContact CG1-CD1 3.72Å; V11-L312 HydrophobicContact CG2-CD1 4.04Å; V11-L312 HydrophobicContact CG2-CD2 3.77Å; F34-L312 HydrophobicContact CE1-CD1 3.51Å; F34-L312 HydrophobicContact CZ-CD1 4.11Å; I308-L312 HydrophobicContact CG2-CD1 3.99Å; I308-L312 WeakPolarHBondContact O-CD1 3.44Å; I308-L312 VanDerWaalsContact O-CG 3.31Å; I308-L312 WeakPolarHBondContact O-CG 3.38Å; I308-L312 PolarHBondContact O-N 3.03Å; I308-L312 VanDerWaalsContact O-N 3.16Å; S310-L312 VanDerWaalsContact C-N 3.35Å; S310-L312 PolarHBondContact O-N 3.17Å
313S90.9Very high95.2Very high51 Ų5152 Ų5236%0.35731%0.308SS..THydrogen-bonded Turntrans-97.97178.2580000113.8I309 S310 S311 K315I309-S313 WeakPolarHBondContact O-CB 3.18Å; I309-S313 PolarHBondContact O-N 2.8Å; I309-S313 VanDerWaalsContact O-N 3.15Å; I309-S313 PolarHBondContact O-OG 3.37Å; S310-S313 CarbonylContact O-C 3.57Å; S310-S313 PolarHBondContact O-N 3.2Å; S310-S313 PolarHBondContact O-OG 3.32Å; S311-S313 VanDerWaalsContact C-N 3.3Å; S311-S313 PolarHBondContact O-N 3.38Å; S313-K315 PolarHBondContact O-N 2.92Å
314G91.5Very high94.5Very high72 Ų7259.7 Ų59.774%0.74234%0.337SS*.THydrogen-bonded Turntrans64.621.1-178.100000114S310 S311S310-G314 PolarHBondContact O-N 3.16Å; S310-G314 VanDerWaalsContact O-N 3.09Å; S311-G314 PolarHBondContact O-N 3.42Å
315K94.9Very high94Very high132 Ų13260.2 Ų60.257%0.57434%0.34SS*.PPolyproline II helixtrans-89.9154179.2-68-180-175.1173.50111.2S310 S313S310-K315 PolarHBondContact O-N 2.98Å; S313-K315 PolarHBondContact O-N 2.92Å
316P97Very high93.7Very high116 Ų11660.8 Ų60.875%0.75335%0.345SS*.PPolyproline II helixtrans-57.8141.3173.8-23.533.9000112.4
317L98Very high93.5Very high43 Ų4360.2 Ų60.223%0.22534%0.339CS..PPolyproline II helixtrans-73.4145.7175-56.3-174.4000111.1Y270 N307Y270-L317 HydrophobicContact CD1-CB 3.42Å; Y270-L317 VanDerWaalsContact CD1-CB 3.42Å; Y270-L317 HydrophobicContact CD1-CD1 4.33Å; Y270-L317 HydrophobicContact CD2-CB 4.38Å; Y270-L317 HydrophobicContact CD2-CD1 3.9Å; Y270-L317 HydrophobicContact CE1-CB 3.67Å; Y270-L317 HydrophobicContact CE2-CD1 4.43Å; Y270-L317 HydrophobicContact CG-CB 3.81Å; Y270-L317 HydrophobicContact CG-CD1 3.83Å; Y270-L317 HydrophobicContact CG-CG 4.5Å; N307-L317 HydrophobicContact CB-CD2 4.02Å; N307-L317 WeakPolarHBondContact O-CD2 3.38Å
318T97.8Very high93.5Very high65 Ų6562.6 Ų62.640%0.39935%0.352SS..PPolyproline II helixtrans-91.5122.3176.7-58.40000109.9I303 N307I303-T318 HydrophobicContact CD1-CG2 3.95Å; N307-T318 PolarHBondContact ND2-O 2.91Å; N307-T318 PolarHBondContact OD1-N 3.28Å; N307-T318 PolarHBondContact OD1-O 3.09Å
319P97.6Very high93.4Very high46 Ų4662.7 Ų62.730%0.29935%0.352SS..PPolyproline II helixtrans-75.4140.8177.930.7-34.2000111.6Q269 Y270Q269-P319 HydrophobicContact CB-CB 4.32Å; Q269-P319 HydrophobicContact CG-CB 4.13Å; Q269-P319 CarbonylContact O-C 3.55Å; Q269-P319 VanDerWaalsContact O-CA 3.29Å; Q269-P319 WeakPolarHBondContact O-CA 3.37Å; Y270-P319 HydrophobicContact CD1-CB 4.34Å; Y270-P319 HydrophobicContact CE1-CB 4.15Å
320Y97.1Very high93.5Very high28 Ų2861.1 Ų61.111%0.1134%0.344CS..PPolyproline II helixtrans-79.9138.9164.1-177.6-111000110.3Q269 L271 L288 E290 L299 H300 I303 T322Q269-Y320 PolarHBondContact O-N 3.06Å; L271-Y320 HydrophobicContact CD1-CG 4.43Å; L271-Y320 HydrophobicContact CD2-CD1 4.03Å; L271-Y320 HydrophobicContact CD2-CG 4.14Å; L271-Y320 HydrophobicContact CG-CG 4.48Å; L288-Y320 HydrophobicContact CD1-CD1 4.11Å; L288-Y320 HydrophobicContact CD1-CE1 3.94Å; L288-Y320 HydrophobicContact CD2-CD1 4.4Å; E290-Y320 WeakPolarHBondContact OE2-CE1 3.3Å; E290-Y320 PolarHBondContact OE2-OH 3.22Å; L299-Y320 HydrophobicContact CB-CE2 4.3Å; H300-Y320 AromaticContact CD2-CE1 3.65Å; H300-Y320 AromaticContact CD2-CE2 3.58Å; H300-Y320 AromaticContact CD2-CZ 3.37Å; H300-Y320 AromaticContact NE2-CE1 3.24Å; H300-Y320 WeakPolarHBondContact NE2-CE1 3.45Å; H300-Y320 AromaticContact NE2-CE2 3.85Å; H300-Y320 AromaticContact NE2-CZ 3.12Å; H300-Y320 PolarHBondContact NE2-OH 2.68Å; H300-Y320 VanDerWaalsContact NE2-OH 3.16Å; I303-Y320 HydrophobicContact CG1-CD2 4.05Å; Y320-T322 HydrophobicContact CE1-CG2 4.01Å
321R92.3Very high93.6Very high208 Ų20860.3 Ų60.379%0.78534%0.339SS*.  trans-128.7128.3175.1-63.4-174.3-179.2-163.90.2108.9G323R321-G323 PolarHBondContact O-N 2.86Å
322T86.6Confident93.7Very high79 Ų7958 Ų5849%0.48532%0.322SS..  trans-65.6127.8175.352.30000109.6E290 Y320E290-T322 HydrophobicContact CB-CG2 4.33Å; E290-T322 HydrophobicContact CG-CG2 4.34Å; Y320-T322 HydrophobicContact CE1-CG2 4.01Å
323G83.7Confident93.8Very high52 Ų5260.4 Ų60.454%0.53633%0.327SS..  trans-93.9-178.4178.100000112.7R321R321-G323 PolarHBondContact O-N 2.86Å
324Y84.6Confident94Very high179 Ų17962.7 Ų62.770%0.70234%0.336SS*.  trans-65.1141.4164.7-70.3-75.2000110.4S326Y324-S326 PolarHBondContact O-N 3.41Å
325V86.7Confident94.3Very high11 Ų1160 Ų607%0.06730%0.304CS..  trans-60.7124.9177.9174.70000110.4Q182 A291 M327 Q339Q182-V325 HydrophobicContact CB-CB 4.39Å; Q182-V325 HydrophobicContact CB-CG2 3.66Å; Q182-V325 HydrophobicContact CG-CG2 4.38Å; A291-V325 HydrophobicContact CB-CG1 4.24Å; A291-V325 HydrophobicContact CB-CG2 4.18Å; V325-M327 HydrophobicContact CG1-CB 3.87Å; V325-Q339 WeakPolarHBondContact O-CG 3.28Å; V325-Q339 PolarHBondContact O-NE2 3.15Å
326S92.8Very high94.4Very high15 Ų1553.7 Ų53.711%0.10528%0.277CS..  trans-114.1103168.4-68.70000108L293 Y324 Q339 N341L293-S326 WeakPolarHBondContact CD1-O 3.29Å; Y324-S326 PolarHBondContact O-N 3.41Å; S326-Q339 WeakPolarHBondContact CA-O 3.27Å; S326-N341 PolarHBondContact OG-N 3.08Å; S326-N341 PolarHBondContact OG-OD1 3.43Å
327M94.9Very high94.5Very high12 Ų1248.1 Ų48.16%0.05924%0.241CC..EExtended strand (participates in β ladder)trans-136.3127.7-175.6173.7-170.8-73.100108.7D180 L183 A291 L293 V325 L329 G338 Q339D180-M327 HydrophobicContact CB-CE 3.57Å; D180-M327 HydrophobicContact CB-SD 3.77Å; L183-M327 HydrophobicContact CD1-SD 3.72Å; L183-M327 HydrophobicContact CD2-CB 3.87Å; L183-M327 HydrophobicContact CD2-CG 4.27Å; L183-M327 HydrophobicContact CD2-SD 4.04Å; L183-M327 HydrophobicContact CG-SD 3.91Å; A291-M327 HydrophobicContact CB-CE 4.11Å; L293-M327 HydrophobicContact CD1-CB 4.34Å; L293-M327 HydrophobicContact CD1-CE 4.45Å; L293-M327 HydrophobicContact CD2-CE 3.59Å; L293-M327 HydrophobicContact CD2-CG 4.48Å; L293-M327 HydrophobicContact CG-CE 4.46Å; V325-M327 HydrophobicContact CG1-CB 3.87Å; M327-L329 HydrophobicContact CG-CD2 4.12Å; M327-L329 HydrophobicContact SD-CD2 4.01Å; M327-G338 CarbonylContact O-C 3.35Å; M327-G338 WeakPolarHBondContact O-CA 3.48Å; M327-Q339 PolarHBondContact N-O 2.93Å; M327-Q339 VanDerWaalsContact N-O 3.11Å; M327-Q339 PolarHBondContact O-N 3.26Å
328L96.6Very high94.4Very high50 Ų5046.1 Ų46.126%0.26223%0.23SC..EExtended strand (participates in β ladder)trans-113.4129176.7-56.1-174000106.7L345 V350 K354L328-L345 HydrophobicContact CD2-CD1 3.7Å; L328-V350 HydrophobicContact CB-CG1 3.91Å; L328-V350 HydrophobicContact CD2-CG1 4.18Å; L328-V350 HydrophobicContact CD2-CG2 4.13Å; L328-V350 HydrophobicContact CG-CG1 4.42Å; L328-K354 HydrophobicContact CB-CB 4.2Å; L328-K354 HydrophobicContact CB-CD 3.56Å; L328-K354 HydrophobicContact CB-CG 4.47Å; L328-K354 HydrophobicContact CD1-CB 3.99Å; L328-K354 WeakPolarHBondContact O-CD 3.47Å; L328-K354 PolarHBondContact O-NZ 2.8Å
329L97.5Very high94.3Very high2 Ų243.2 Ų43.21%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-107.3126.4175.3-57.9175.6000108.4A151 V154 E155 A179 L183 M327 M331 G336 V337A151-L329 HydrophobicContact CB-CD2 3.61Å; V154-L329 HydrophobicContact CG1-CD1 4.35Å; E155-L329 HydrophobicContact CG-CB 4.19Å; E155-L329 HydrophobicContact CG-CD2 4.24Å; E155-L329 VanDerWaalsContact OE1-CA 3.31Å; E155-L329 WeakPolarHBondContact OE1-CA 3.5Å; A179-L329 HydrophobicContact CB-CD1 3.7Å; L183-L329 HydrophobicContact CD1-CD1 4.16Å; M327-L329 HydrophobicContact CG-CD2 4.12Å; M327-L329 HydrophobicContact SD-CD2 4.01Å; L329-M331 HydrophobicContact CB-SD 4.33Å; L329-M331 PolarHBondContact O-N 2.84Å; L329-G336 WeakPolarHBondContact O-CA 3.44Å; L329-V337 HydrophobicContact CB-CG2 3.79Å; L329-V337 HydrophobicContact CD1-CG2 4.02Å; L329-V337 HydrophobicContact CG-CG2 4.36Å; L329-V337 PolarHBondContact N-O 3.41Å; L329-V337 PolarHBondContact O-N 2.88Å
330A97.8Very high94.2Very high1 Ų146.1 Ų46.11%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-75.5119.2171.700000109.2E155 G332 L358E155-A330 WeakPolarHBondContact CA-O 3.37Å; E155-A330 WeakPolarHBondContact CG-O 3.28Å; E155-A330 PolarHBondContact OE1-N 2.98Å; A330-G332 VanDerWaalsContact C-N 3.31Å; A330-G332 PolarHBondContact O-N 2.76Å; A330-L358 HydrophobicContact CB-CD2 3.48Å; A330-L358 VanDerWaalsContact CB-CD2 3.48Å
331M98.1Very high93.7Very high0 Ų049 Ų490%024%0.237CC..  trans-101.552.5177.5-57.8-56.8-69.400108.9V154 A158 V194 L195 K198 L329 D335 V337V154-M331 HydrophobicContact CG1-CE 3.79Å; V154-M331 HydrophobicContact CG1-SD 3.68Å; A158-M331 VanDerWaalsContact CB-C 3.46Å; A158-M331 HydrophobicContact CB-CB 4.17Å; A158-M331 HydrophobicContact CB-CE 4.08Å; A158-M331 HydrophobicContact CB-SD 4.42Å; V194-M331 HydrophobicContact CB-CE 3.9Å; V194-M331 HydrophobicContact CB-CG 4.47Å; V194-M331 HydrophobicContact CG1-CB 3.63Å; V194-M331 HydrophobicContact CG1-CE 3.76Å; V194-M331 HydrophobicContact CG1-CG 3.93Å; L195-M331 HydrophobicContact CD2-CE 3.55Å; L195-M331 HydrophobicContact CG-CE 3.7Å; K198-M331 WeakPolarHBondContact CE-O 3.37Å; K198-M331 PolarHBondContact NZ-O 3.35Å; L329-M331 HydrophobicContact CB-SD 4.33Å; L329-M331 PolarHBondContact O-N 2.84Å; M331-D335 HydrophobicContact CB-CB 4.08Å; M331-D335 PolarHBondContact N-O 3.39Å; M331-V337 HydrophobicContact CG-CB 4.38Å; M331-V337 HydrophobicContact CG-CG1 3.97Å; M331-V337 HydrophobicContact CG-CG2 3.82Å; M331-V337 HydrophobicContact SD-CG2 3.78Å
332G96.9Very high93.4Very high0 Ų040.3 Ų40.30%021%0.213CC..SBendtrans80.5178.9-163.300000113R53 E159 T162 A330 D334 S355R53-G332 VanDerWaalsContact NH2-C 3.26Å; R53-G332 PolarHBondContact NH2-O 3.5Å; E159-G332 WeakPolarHBondContact OE1-CA 3.45Å; T162-G332 WeakPolarHBondContact OG1-CA 3.31Å; A330-G332 VanDerWaalsContact C-N 3.31Å; A330-G332 PolarHBondContact O-N 2.76Å; G332-D334 PolarHBondContact O-N 2.62Å; G332-S355 WeakPolarHBondContact O-CB 3.42Å
333R95.9Very high93.7Very high106 Ų10641.2 Ų41.240%0.422%0.218SC..THydrogen-bonded Turntrans-69.2-17.6-177.163.2178.2164.2-131.9-11.4114.9T162 E163 R356T162-R333 HydrophobicContact CG2-CG 3.88Å; E163-R333 IonicContact OE2-CZ 3.93Å; E163-R333 IonicContact OE2-NH1 3.75Å; E163-R333 PolarHBondContact OE2-NH1 2.8Å; E163-R333 IonicContact OE2-NH2 2.71Å; E163-R333 PolarHBondContact OE2-NH2 3.41Å; R333-R356 WeakPolarHBondContact O-CG 3.42Å
334D96.1Very high94.3Very high100 Ų10044.6 Ų44.654%0.53522%0.215SC..THydrogen-bonded Turntrans-103.3-12.7-169.560.8-19.5000113.8T162 K198 G332T162-D334 WeakPolarHBondContact CG2-OD1 3.48Å; K198-D334 VanDerWaalsContact NZ-CG 3.33Å; K198-D334 IonicContact NZ-OD1 3.41Å; K198-D334 PolarHBondContact NZ-OD1 2.78Å; K198-D334 IonicContact NZ-OD2 3.69Å; K198-D334 PolarHBondContact NZ-OD2 3.4Å; K198-D334 VanDerWaalsContact NZ-OD2 3.16Å; G332-D334 PolarHBondContact O-N 2.62Å
335D97.7Very high94.9Very high14 Ų1437.8 Ų37.88%0.07519%0.191CC..  trans-147.9164.2-173.5-159.2-0.6000112.7V194 M331 R347 S355V194-D335 VanDerWaalsContact CG1-OD2 3.3Å; V194-D335 WeakPolarHBondContact CG1-OD2 3.43Å; M331-D335 HydrophobicContact CB-CB 4.08Å; M331-D335 PolarHBondContact N-O 3.39Å; D335-R347 WeakPolarHBondContact OD1-CB 3.43Å; D335-R347 WeakPolarHBondContact OD1-CG 3.3Å; D335-R347 IonicContact OD1-CZ 2.75Å; D335-R347 IonicContact OD1-NE 3.62Å; D335-R347 PolarHBondContact OD1-NE 3.18Å; D335-R347 IonicContact OD1-NH2 3.13Å; D335-R347 IonicContact OD2-CZ 3.61Å; D335-R347 IonicContact OD2-NE 3.77Å; D335-R347 PolarHBondContact OD2-NE 2.8Å; D335-R347 IonicContact OD2-NH2 3.95Å; D335-R347 PolarHBondContact OD2-NH2 2.8Å; D335-S355 WeakPolarHBondContact O-CB 3.47Å; D335-S355 PolarHBondContact O-OG 3.42Å
336G97.5Very high95.4Very high0 Ų040.3 Ų40.30%021%0.207CC..EExtended strand (participates in β ladder)trans-162.4150.4179.800000112.2L329 R347 S355L329-G336 WeakPolarHBondContact O-CA 3.44Å; G336-R347 WeakPolarHBondContact O-CA 3.36Å; G336-R347 WeakPolarHBondContact O-CG 3.42Å; G336-S355 WeakPolarHBondContact CA-OG 3.37Å
337V97.9Very high95.6Very high0 Ų043.2 Ų43.20%022%0.216CC..EExtended strand (participates in β ladder)trans-131.8146.7176-60.70000108.9Q190 A191 V194 L329 M331 R347Q190-V337 HydrophobicContact CB-CG1 4.28Å; Q190-V337 HydrophobicContact CG-CB 4.49Å; Q190-V337 HydrophobicContact CG-CG1 3.7Å; A191-V337 HydrophobicContact CB-CG2 3.82Å; V194-V337 HydrophobicContact CG2-CG1 3.9Å; L329-V337 HydrophobicContact CB-CG2 3.79Å; L329-V337 HydrophobicContact CD1-CG2 4.02Å; L329-V337 HydrophobicContact CG-CG2 4.36Å; L329-V337 PolarHBondContact N-O 3.41Å; L329-V337 PolarHBondContact O-N 2.88Å; M331-V337 HydrophobicContact CG-CB 4.38Å; M331-V337 HydrophobicContact CG-CG1 3.97Å; M331-V337 HydrophobicContact CG-CG2 3.82Å; M331-V337 HydrophobicContact SD-CG2 3.78Å; V337-R347 HydrophobicContact CG1-CG 4.32Å
338G96.9Very high95.6Very high0 Ų050.3 Ų50.30%024%0.242CC..EExtended strand (participates in β ladder)trans171.3179.8-179.400000114.1M327 L345M327-G338 CarbonylContact O-C 3.35Å; M327-G338 WeakPolarHBondContact O-CA 3.48Å; G338-L345 PolarHBondContact O-N 2.87Å
339Q95.8Very high95.6Very high4 Ų451.4 Ų51.42%0.01925%0.248CC..EExtended strand (participates in β ladder)trans-134.8156.417362.4-175.967.800110.8L183 V187 V325 S326 M327 V343L183-Q339 HydrophobicContact CD2-CG 3.66Å; V187-Q339 HydrophobicContact CG2-CB 4.1Å; V325-Q339 WeakPolarHBondContact O-CG 3.28Å; V325-Q339 PolarHBondContact O-NE2 3.15Å; S326-Q339 WeakPolarHBondContact CA-O 3.27Å; M327-Q339 PolarHBondContact N-O 2.93Å; M327-Q339 VanDerWaalsContact N-O 3.11Å; M327-Q339 PolarHBondContact O-N 3.26Å; Q339-V343 CarbonylContact C-O 3.53Å; Q339-V343 WeakPolarHBondContact CA-O 3.43Å; Q339-V343 VanDerWaalsContact CB-O 3.23Å; Q339-V343 WeakPolarHBondContact CB-O 3.27Å
340F93.9Very high95.6Very high108 Ų10851.3 Ų51.347%0.47425%0.247SC..EExtended strand (participates in β ladder)trans-127.2125.7167.8-174.4-97.2000108.5G342 V343 L345F340-G342 VanDerWaalsContact C-N 3.27Å; F340-G342 PolarHBondContact O-N 3.42Å; F340-V343 PolarHBondContact N-O 2.79Å; F340-V343 PolarHBondContact O-N 2.96Å; F340-L345 HydrophobicContact CB-CD1 4.03Å; F340-L345 HydrophobicContact CB-CD2 4.09Å; F340-L345 HydrophobicContact CB-CG 4.21Å
341N87.8Confident95.5Very high87 Ų8751.5 Ų51.547%0.46525%0.249SC..THydrogen-bonded Turntrans47.346.4-177.2-69.8-14.3000113.9S326 V343S326-N341 PolarHBondContact OG-N 3.08Å; S326-N341 PolarHBondContact OG-OD1 3.43Å; N341-V343 VanDerWaalsContact C-N 3.25Å; N341-V343 PolarHBondContact O-N 3.16Å
342G86.4Confident95.3Very high27 Ų2755.6 Ų55.628%0.27827%0.27SS..THydrogen-bonded Turntrans80.1-4.5179.700000115.5F340F340-G342 VanDerWaalsContact C-N 3.27Å; F340-G342 PolarHBondContact O-N 3.42Å
343V92.4Very high95.1Very high97 Ų9757.6 Ų57.659%0.58829%0.29SS*.EExtended strand (participates in β ladder)trans-101.9124.1-179.9-176.80000110.3Q339 F340 N341 L345Q339-V343 CarbonylContact C-O 3.53Å; Q339-V343 WeakPolarHBondContact CA-O 3.43Å; Q339-V343 VanDerWaalsContact CB-O 3.23Å; Q339-V343 WeakPolarHBondContact CB-O 3.27Å; F340-V343 PolarHBondContact N-O 2.79Å; F340-V343 PolarHBondContact O-N 2.96Å; N341-V343 VanDerWaalsContact C-N 3.25Å; N341-V343 PolarHBondContact O-N 3.16Å; V343-L345 PolarHBondContact O-N 2.87Å
344R96Very high95Very high124 Ų12453.5 Ų53.547%0.46828%0.276SS..EExtended strand (participates in β ladder)trans-60.2132.2173.7178.2175.870.4171.13.5110.4V187V187-R344 HydrophobicContact CG2-CB 3.82Å; V187-R344 HydrophobicContact CG2-CG 3.78Å
345L96.6Very high95Very high36 Ų3648.7 Ų48.719%0.18825%0.25CS..PPolyproline II helixtrans-93.1152.9176.1-63.1-176.4000112.1L328 G338 F340 V343 L349 V350L328-L345 HydrophobicContact CD2-CD1 3.7Å; G338-L345 PolarHBondContact O-N 2.87Å; F340-L345 HydrophobicContact CB-CD1 4.03Å; F340-L345 HydrophobicContact CB-CD2 4.09Å; F340-L345 HydrophobicContact CB-CG 4.21Å; V343-L345 PolarHBondContact O-N 2.87Å; L345-L349 HydrophobicContact CD2-CD2 4.32Å; L345-V350 HydrophobicContact CB-CG2 3.75Å; L345-V350 HydrophobicContact CD1-CG2 4.18Å
346P97Very high94.8Very high64 Ų6455.8 Ų55.842%0.41628%0.276SS..PPolyproline II helixtrans-60.1141.3167.5-2233.4000112.1W348 L349 V350P346-W348 PolarHBondContact O-N 2.93Å; P346-L349 HydrophobicContact CB-CB 4.32Å; P346-L349 WeakPolarHBondContact O-CB 3.42Å; P346-L349 PolarHBondContact O-N 3.18Å; P346-V350 PolarHBondContact O-N 3.13Å
347R97.1Very high94.6Very high75 Ų7557.6 Ų57.628%0.28329%0.285SS..Hα-helixtrans-52.3-52.4-177.5-85.5166.169.2174.20113.6Q190 E197 D335 G336 V337 L349 V350 A351Q190-R347 HydrophobicContact CG-CG 4.46Å; E197-R347 IonicContact OE1-NH1 3.35Å; E197-R347 PolarHBondContact OE1-NH1 2.81Å; E197-R347 IonicContact OE2-CZ 3.85Å; E197-R347 VanDerWaalsContact OE2-CZ 3.3Å; E197-R347 IonicContact OE2-NH1 3Å; E197-R347 PolarHBondContact OE2-NH1 2.94Å; E197-R347 IonicContact OE2-NH2 3.01Å; E197-R347 PolarHBondContact OE2-NH2 2.85Å; D335-R347 WeakPolarHBondContact OD1-CB 3.43Å; D335-R347 WeakPolarHBondContact OD1-CG 3.3Å; D335-R347 IonicContact OD1-CZ 2.75Å; D335-R347 IonicContact OD1-NE 3.62Å; D335-R347 PolarHBondContact OD1-NE 3.18Å; D335-R347 IonicContact OD1-NH2 3.13Å; D335-R347 IonicContact OD2-CZ 3.61Å; D335-R347 IonicContact OD2-NE 3.77Å; D335-R347 PolarHBondContact OD2-NE 2.8Å; D335-R347 IonicContact OD2-NH2 3.95Å; D335-R347 PolarHBondContact OD2-NH2 2.8Å; G336-R347 WeakPolarHBondContact O-CA 3.36Å; G336-R347 WeakPolarHBondContact O-CG 3.42Å; V337-R347 HydrophobicContact CG1-CG 4.32Å; R347-L349 PolarHBondContact O-N 3.15Å; R347-V350 PolarHBondContact O-N 2.86Å; R347-V350 VanDerWaalsContact O-N 3.09Å; R347-A351 PolarHBondContact O-N 3.1Å
348W96.3Very high94.6Very high162 Ų16257.8 Ų57.861%0.61429%0.286SS*.Hα-helixtrans-59.7-31.8-179.966.7-97.9000112.9P346 A351 L352P346-W348 PolarHBondContact O-N 2.93Å; W348-A351 PolarHBondContact O-N 3.03Å; W348-L352 HydrophobicContact CE3-CD1 3.56Å; W348-L352 HydrophobicContact CE3-CG 4.42Å; W348-L352 HydrophobicContact CZ3-CD1 3.72Å; W348-L352 WeakPolarHBondContact O-CB 3.39Å; W348-L352 VanDerWaalsContact O-CG 3.29Å; W348-L352 WeakPolarHBondContact O-CG 3.44Å; W348-L352 PolarHBondContact O-N 2.9Å
349L96.6Very high94.5Very high72 Ų7260.3 Ų60.338%0.37730%0.299SS..Hα-helixtrans-70.6-40.9178.5-179.263.2000110.6L345 P346 R347 A351 L352 G353L345-L349 HydrophobicContact CD2-CD2 4.32Å; P346-L349 HydrophobicContact CB-CB 4.32Å; P346-L349 WeakPolarHBondContact O-CB 3.42Å; P346-L349 PolarHBondContact O-N 3.18Å; R347-L349 PolarHBondContact O-N 3.15Å; L349-A351 VanDerWaalsContact C-N 3.34Å; L349-L352 PolarHBondContact O-N 3.36Å; L349-G353 PolarHBondContact O-N 2.83Å
350V96.9Very high94.5Very high1 Ų160.1 Ų60.11%0.00630%0.299CS..Hα-helixtrans-65.6-40.9174-174.60000110.6L328 L345 P346 R347 L352 G353 K354 S355L328-V350 HydrophobicContact CB-CG1 3.91Å; L328-V350 HydrophobicContact CD2-CG1 4.18Å; L328-V350 HydrophobicContact CD2-CG2 4.13Å; L328-V350 HydrophobicContact CG-CG1 4.42Å; L345-V350 HydrophobicContact CB-CG2 3.75Å; L345-V350 HydrophobicContact CD1-CG2 4.18Å; P346-V350 PolarHBondContact O-N 3.13Å; R347-V350 PolarHBondContact O-N 2.86Å; R347-V350 VanDerWaalsContact O-N 3.09Å; V350-L352 PolarHBondContact O-N 2.83Å; V350-G353 PolarHBondContact O-N 2.88Å; V350-K354 PolarHBondContact O-N 3.47Å; V350-S355 PolarHBondContact O-N 3.17Å; V350-S355 VanDerWaalsContact O-N 3.07Å
351A96.1Very high94.6Very high5 Ų561.2 Ų61.24%0.04130%0.3CS..Iπ-helixtrans-59.3-47.7175.900000112.1R347 W348 L349 S355 R356R347-A351 PolarHBondContact O-N 3.1Å; W348-A351 PolarHBondContact O-N 3.03Å; L349-A351 VanDerWaalsContact C-N 3.34Å; A351-S355 PolarHBondContact O-N 3.09Å; A351-S355 VanDerWaalsContact O-N 3.15Å; A351-R356 WeakPolarHBondContact O-CG 3.15Å; A351-R356 PolarHBondContact O-N 2.9Å
352L94.1Very high94.9Very high86 Ų8661.6 Ų61.645%0.4530%0.297SS..Iπ-helixtrans-64.9-45.5176.9-72.2177.7000112.8W348 L349 V350W348-L352 HydrophobicContact CE3-CD1 3.56Å; W348-L352 HydrophobicContact CE3-CG 4.42Å; W348-L352 HydrophobicContact CZ3-CD1 3.72Å; W348-L352 WeakPolarHBondContact O-CB 3.39Å; W348-L352 VanDerWaalsContact O-CG 3.29Å; W348-L352 WeakPolarHBondContact O-CG 3.44Å; W348-L352 PolarHBondContact O-N 2.9Å; L349-L352 PolarHBondContact O-N 3.36Å; V350-L352 PolarHBondContact O-N 2.83Å
353G92.4Very high95.4Very high41 Ų4160.4 Ų60.442%0.42329%0.285SS..Iπ-helixtrans-79.9-36.3-171.800000114.3L349 V350 L359L349-G353 PolarHBondContact O-N 2.83Å; V350-G353 PolarHBondContact O-N 2.88Å; G353-L359 WeakPolarHBondContact O-CD2 3.41Å
354K94.3Very high95.6Very high20 Ų2056.6 Ų56.69%0.08726%0.26CS..Iπ-helixtrans-119.5-60.3178.7178.5178.6169.6-177.80111.1E155 L328 V350 R356 D357 L358 L359E155-K354 IonicContact OE1-NZ 3.15Å; E155-K354 PolarHBondContact OE1-NZ 3.24Å; L328-K354 HydrophobicContact CB-CB 4.2Å; L328-K354 HydrophobicContact CB-CD 3.56Å; L328-K354 HydrophobicContact CB-CG 4.47Å; L328-K354 HydrophobicContact CD1-CB 3.99Å; L328-K354 WeakPolarHBondContact O-CD 3.47Å; L328-K354 PolarHBondContact O-NZ 2.8Å; V350-K354 PolarHBondContact O-N 3.47Å; K354-R356 VanDerWaalsContact C-N 3.31Å; K354-R356 PolarHBondContact O-N 3.21Å; K354-R356 VanDerWaalsContact O-N 3.12Å; K354-D357 PolarHBondContact O-N 3.34Å; K354-L358 HydrophobicContact CG-CD2 4.46Å; K354-L358 WeakPolarHBondContact O-CA 3.35Å; K354-L358 PolarHBondContact O-N 2.63Å; K354-L359 HydrophobicContact CG-CG 4.43Å
355S95.4Very high95.6Very high0 Ų059.8 Ų59.80%027%0.272CS..Iπ-helixtrans-65-28.6-157.7-40.10000115.1R53 G332 D335 G336 V350 A351R53-S355 PolarHBondContact NH1-O 3.24Å; R53-S355 PolarHBondContact NH2-O 3.01Å; G332-S355 WeakPolarHBondContact O-CB 3.42Å; D335-S355 WeakPolarHBondContact O-CB 3.47Å; D335-S355 PolarHBondContact O-OG 3.42Å; G336-S355 WeakPolarHBondContact CA-OG 3.37Å; V350-S355 PolarHBondContact O-N 3.17Å; V350-S355 VanDerWaalsContact O-N 3.07Å; A351-S355 PolarHBondContact O-N 3.09Å; A351-S355 VanDerWaalsContact O-N 3.15Å
356R93.1Very high95.5Very high163 Ų16360.7 Ų60.762%0.61528%0.275SS*.THydrogen-bonded Turntrans-66.3-46.5179.5-77.8-179.5178.9-172.50.3113.8R53 R333 A351 K354R53-R356 PolarHBondContact NH1-O 2.8Å; R333-R356 WeakPolarHBondContact O-CG 3.42Å; A351-R356 WeakPolarHBondContact O-CG 3.15Å; A351-R356 PolarHBondContact O-N 2.9Å; K354-R356 VanDerWaalsContact C-N 3.31Å; K354-R356 PolarHBondContact O-N 3.21Å; K354-R356 VanDerWaalsContact O-N 3.12Å
357D93.8Very high95.5Very high37 Ų3757.6 Ų57.620%0.19826%0.255CS..THydrogen-bonded Turntrans-115.1-8-174.3-172.164000113.7R63 K354 L359 L360 W361R63-D357 IonicContact CZ-OD1 2.73Å; R63-D357 IonicContact NH2-OD1 3.48Å; R63-D357 PolarHBondContact NH2-OD1 2.81Å; K354-D357 PolarHBondContact O-N 3.34Å; D357-L359 PolarHBondContact O-N 3.45Å; D357-L359 VanDerWaalsContact O-N 3.17Å; D357-L360 WeakPolarHBondContact O-CB 3.28Å; D357-L360 WeakPolarHBondContact O-CD1 3.49Å; D357-L360 VanDerWaalsContact O-CG 3.29Å; D357-L360 WeakPolarHBondContact O-CG 3.26Å; D357-L360 PolarHBondContact O-N 2.95Å; D357-L360 VanDerWaalsContact O-N 3.17Å; D357-L360 PolarHBondContact OD2-N 3.12Å; D357-W361 VanDerWaalsContact OD2-CD1 3.25Å; D357-W361 PolarHBondContact OD2-N 3.28Å
358L96.9Very high95.5Very high4 Ų460.4 Ų60.42%0.02127%0.271CS..THydrogen-bonded Turntrans57.824.1-176.3-60.4170.2000113.8H47 A50 R53 F60 A330 K354 L360H47-L358 PolarHBondContact NE2-O 3.3Å; A50-L358 HydrophobicContact CB-CB 3.71Å; A50-L358 HydrophobicContact CB-CD1 3.74Å; A50-L358 HydrophobicContact CB-CG 4.36Å; R53-L358 HydrophobicContact CB-CD1 3.53Å; R53-L358 HydrophobicContact CG-CD1 4.37Å; F60-L358 HydrophobicContact CZ-CD1 4.32Å; A330-L358 HydrophobicContact CB-CD2 3.48Å; A330-L358 VanDerWaalsContact CB-CD2 3.48Å; K354-L358 HydrophobicContact CG-CD2 4.46Å; K354-L358 WeakPolarHBondContact O-CA 3.35Å; K354-L358 PolarHBondContact O-N 2.63Å; L358-L360 PolarHBondContact O-N 3.31Å
359L95.9Very high95.5Very high53 Ų5353.8 Ų53.828%0.27725%0.247SC..THydrogen-bonded Turntrans66.221-177.2-49.8170.3000113.8H47 G353 K354 D357 W361 K362 S363H47-L359 PolarHBondContact CE1-O 3.29Å; G353-L359 WeakPolarHBondContact O-CD2 3.41Å; K354-L359 HydrophobicContact CG-CG 4.43Å; D357-L359 PolarHBondContact O-N 3.45Å; D357-L359 VanDerWaalsContact O-N 3.17Å; L359-W361 VanDerWaalsContact C-N 3.29Å; L359-W361 PolarHBondContact O-N 2.83Å; L359-K362 WeakPolarHBondContact O-CB 3.35Å; L359-K362 PolarHBondContact O-N 3.26Å; L359-K362 VanDerWaalsContact O-N 3.08Å; L359-S363 PolarHBondContact O-N 2.77Å
360L96.6Very high95.4Very high0 Ų059.8 Ų59.80%027%0.27CS..Hα-helixtrans-57.5-43.8175.6-75.1170.2000111.3H47 A50 F60 R63 T64 D357 L358 K362 S363 W364H47-L360 HydrophobicContact CB-CD2 3.89Å; A50-L360 HydrophobicContact CB-CD1 4.25Å; A50-L360 HydrophobicContact CB-CD2 3.98Å; A50-L360 HydrophobicContact CB-CG 4.09Å; F60-L360 HydrophobicContact CE1-CD1 3.97Å; F60-L360 HydrophobicContact CE2-CD1 4.42Å; F60-L360 HydrophobicContact CZ-CD1 3.58Å; R63-L360 HydrophobicContact CB-CD1 3.99Å; R63-L360 WeakPolarHBondContact O-CD2 3.27Å; T64-L360 HydrophobicContact CG2-CD2 4.33Å; D357-L360 WeakPolarHBondContact O-CB 3.28Å; D357-L360 WeakPolarHBondContact O-CD1 3.49Å; D357-L360 VanDerWaalsContact O-CG 3.29Å; D357-L360 WeakPolarHBondContact O-CG 3.26Å; D357-L360 PolarHBondContact O-N 2.95Å; D357-L360 VanDerWaalsContact O-N 3.17Å; D357-L360 PolarHBondContact OD2-N 3.12Å; L358-L360 PolarHBondContact O-N 3.31Å; L360-K362 PolarHBondContact O-N 3.19Å; L360-S363 PolarHBondContact O-N 2.82Å; L360-W364 VanDerWaalsContact O-CD1 3.25Å; L360-W364 PolarHBondContact O-N 2.65Å
361W94.4Very high95.1Very high132 Ų13262.7 Ų62.750%0.528%0.284SS..Hα-helixtrans-49.8-36.2176.571.9-95.5000112.9D357 L359 R365D357-W361 VanDerWaalsContact OD2-CD1 3.25Å; D357-W361 PolarHBondContact OD2-N 3.28Å; L359-W361 VanDerWaalsContact C-N 3.29Å; L359-W361 PolarHBondContact O-N 2.83Å; W361-R365 VanDerWaalsContact O-CB 3.25Å; W361-R365 WeakPolarHBondContact O-CB 3.31Å; W361-R365 PolarHBondContact O-N 3.48Å
362K94.7Very high94.7Very high95 Ų9568.3 Ų68.341%0.41332%0.32SS..Hα-helixtrans-69.7-47.2-178.9-176.6-173.6170.6-171.70110.5L359 L360 R365 E366L359-K362 WeakPolarHBondContact O-CB 3.35Å; L359-K362 PolarHBondContact O-N 3.26Å; L359-K362 VanDerWaalsContact O-N 3.08Å; L360-K362 PolarHBondContact O-N 3.19Å; K362-R365 PolarHBondContact O-N 3.14Å; K362-E366 WeakPolarHBondContact O-CB 3.42Å; K362-E366 PolarHBondContact O-N 3.22Å
363S96.7Very high94.7Very high2 Ų267.4 Ų67.41%0.01431%0.313CS..Hα-helixtrans-67.9-40.5180-74.50000112.8F45 H47 L359 L360 R365 E366 M367F45-S363 WeakPolarHBondContact CE1-OG 3.33Å; H47-S363 PolarHBondContact CE1-OG 2.87Å; H47-S363 WeakPolarHBondContact ND1-CB 3.47Å; H47-S363 PolarHBondContact ND1-OG 2.87Å; L359-S363 PolarHBondContact O-N 2.77Å; L360-S363 PolarHBondContact O-N 2.82Å; S363-R365 VanDerWaalsContact C-N 3.34Å; S363-R365 PolarHBondContact O-N 3.5Å; S363-E366 PolarHBondContact O-N 2.82Å; S363-M367 WeakPolarHBondContact O-CB 3.34Å; S363-M367 VanDerWaalsContact O-CG 3.32Å; S363-M367 WeakPolarHBondContact O-CG 3.47Å; S363-M367 PolarHBondContact O-N 3.24Å
364W97.4Very high94.9Very high16 Ų1668.8 Ų68.86%0.06131%0.307CS..Hα-helixtrans-60.8-43.6173.7-77.996.1000111.6R63 I66 L360 M367 Q368 Q369 K370 Q371 P372R63-W364 PolarHBondContact O-NE1 2.86Å; I66-W364 HydrophobicContact CD1-CB 4.42Å; I66-W364 HydrophobicContact CD1-CD2 3.73Å; I66-W364 HydrophobicContact CD1-CE3 4.29Å; I66-W364 HydrophobicContact CD1-CG 3.78Å; I66-W364 HydrophobicContact CD1-CZ2 4.39Å; I66-W364 HydrophobicContact CG1-CD2 4.01Å; I66-W364 HydrophobicContact CG1-CE3 4.37Å; I66-W364 HydrophobicContact CG1-CH2 4.17Å; I66-W364 HydrophobicContact CG1-CZ2 3.8Å; I66-W364 HydrophobicContact CG1-CZ3 4.44Å; I66-W364 HydrophobicContact CG2-CE3 4.07Å; I66-W364 HydrophobicContact CG2-CH2 4.32Å; I66-W364 HydrophobicContact CG2-CZ3 3.97Å; L360-W364 VanDerWaalsContact O-CD1 3.25Å; L360-W364 PolarHBondContact O-N 2.65Å; W364-M367 CarbonylContact O-C 3.54Å; W364-M367 PolarHBondContact O-N 3.41Å; W364-Q368 PolarHBondContact O-N 3.15Å; W364-Q369 CarbonylContact C-O 3.54Å; W364-Q369 HydrophobicContact CE3-CB 3.62Å; W364-Q369 HydrophobicContact CZ3-CB 3.81Å; W364-Q369 PolarHBondContact O-N 3.12Å; W364-Q369 VanDerWaalsContact O-O 3.12Å; W364-K370 VanDerWaalsContact CE3-C 3.46Å; W364-K370 VanDerWaalsContact CE3-O 3.25Å; W364-K370 WeakPolarHBondContact CZ3-O 3.42Å; W364-Q371 HydrophobicContact CD2-CB 4.03Å; W364-Q371 HydrophobicContact CD2-CG 4.33Å; W364-Q371 HydrophobicContact CG-CB 3.95Å; W364-Q371 HydrophobicContact CG-CG 4.28Å; W364-P372 VanDerWaalsContact CH2-CD 3.46Å; W364-P372 HydrophobicContact CH2-CG 4.36Å; W364-P372 HydrophobicContact CZ2-CG 4.17Å
365R95.5Very high94.9Very high191 Ų19171.5 Ų71.572%0.72132%0.32SS*.Hα-helixtrans-62.9-44.1174.1-179.7-179.8173.7-176.6-2112.7W361 K362 S363 M367 Q368W361-R365 VanDerWaalsContact O-CB 3.25Å; W361-R365 WeakPolarHBondContact O-CB 3.31Å; W361-R365 PolarHBondContact O-N 3.48Å; K362-R365 PolarHBondContact O-N 3.14Å; S363-R365 VanDerWaalsContact C-N 3.34Å; S363-R365 PolarHBondContact O-N 3.5Å; R365-M367 VanDerWaalsContact C-N 3.3Å; R365-M367 PolarHBondContact O-N 2.8Å; R365-Q368 PolarHBondContact O-N 2.92Å
366E94.7Very high94.9Very high55 Ų5575.7 Ų75.726%0.25734%0.339SS..Hα-helixtrans-63.4-37.6178.7-175.9166.4-172.100111.6A24 Q27 K362 S363 Q368A24-E366 WeakPolarHBondContact CA-OE1 3.49Å; Q27-E366 HydrophobicContact CG-CG 4.12Å; Q27-E366 PolarHBondContact NE2-O 2.9Å; K362-E366 WeakPolarHBondContact O-CB 3.42Å; K362-E366 PolarHBondContact O-N 3.22Å; S363-E366 PolarHBondContact O-N 2.82Å; E366-Q368 PolarHBondContact O-N 3.32Å
367M96.9Very high95Very high0 Ų070.3 Ų70.30%032%0.321CS..THydrogen-bonded Turntrans-78.4-1.5172.9-67.2-66.5-76.100113.4I23 F45 I66 Y68 T71 F72 S363 W364 R365 Q369I23-M367 HydrophobicContact CB-SD 4.07Å; I23-M367 HydrophobicContact CD1-SD 4.38Å; I23-M367 HydrophobicContact CG2-SD 3.9Å; F45-M367 HydrophobicContact CB-CE 4.3Å; I66-M367 HydrophobicContact CB-CG 4.38Å; I66-M367 HydrophobicContact CD1-CG 4.25Å; I66-M367 HydrophobicContact CG2-CB 3.69Å; I66-M367 HydrophobicContact CG2-CE 4.15Å; I66-M367 HydrophobicContact CG2-CG 3.86Å; Y68-M367 HydrophobicContact CD1-CE 3.95Å; T71-M367 WeakPolarHBondContact CB-O 3.46Å; T71-M367 HydrophobicContact CG2-CE 4.37Å; T71-M367 VanDerWaalsContact CG2-O 3.27Å; T71-M367 WeakPolarHBondContact CG2-O 3.48Å; T71-M367 HydrophobicContact CG2-SD 4.25Å; T71-M367 WeakPolarHBondContact OG1-CE 3.4Å; T71-M367 PolarHBondContact OG1-O 3Å; F72-M367 HydrophobicContact CD2-CE 4.41Å; F72-M367 HydrophobicContact CE2-CE 3.81Å; F72-M367 HydrophobicContact CE2-SD 3.83Å; F72-M367 HydrophobicContact CZ-SD 4.05Å; S363-M367 WeakPolarHBondContact O-CB 3.34Å; S363-M367 VanDerWaalsContact O-CG 3.32Å; S363-M367 WeakPolarHBondContact O-CG 3.47Å; S363-M367 PolarHBondContact O-N 3.24Å; W364-M367 CarbonylContact O-C 3.54Å; W364-M367 PolarHBondContact O-N 3.41Å; R365-M367 VanDerWaalsContact C-N 3.3Å; R365-M367 PolarHBondContact O-N 2.8Å; M367-Q369 PolarHBondContact O-N 3.42Å
368Q96.1Very high95.1Very high133 Ų13372.5 Ų72.562%0.62133%0.329SS*.THydrogen-bonded Turntrans56.732.4-178.9-59.6178.2-14.600114.1W364 R365 E366W364-Q368 PolarHBondContact O-N 3.15Å; R365-Q368 PolarHBondContact O-N 2.92Å; E366-Q368 PolarHBondContact O-N 3.32Å
369Q96.9Very high94.9Very high23 Ų2377.4 Ų77.411%0.10735%0.352CS..  trans-117.3161.3178.8-69.3175.838.200110.4I66 P67 E70 T71 W364 M367I66-Q369 HydrophobicContact CG2-CB 4.43Å; I66-Q369 HydrophobicContact CG2-CG 4.48Å; I66-Q369 VanDerWaalsContact CG2-OE1 3.23Å; P67-Q369 PolarHBondContact O-NE2 3.42Å; E70-Q369 HydrophobicContact CB-CG 4.3Å; E70-Q369 PolarHBondContact OE2-OE1 3.18Å; T71-Q369 PolarHBondContact OG1-NE2 2.93Å; W364-Q369 CarbonylContact C-O 3.54Å; W364-Q369 HydrophobicContact CE3-CB 3.62Å; W364-Q369 HydrophobicContact CZ3-CB 3.81Å; W364-Q369 PolarHBondContact O-N 3.12Å; W364-Q369 VanDerWaalsContact O-O 3.12Å; M367-Q369 PolarHBondContact O-N 3.42Å
370K93.9Very high94.8Very high198 Ų19879.2 Ų79.286%0.86136%0.357SS*.  trans-93.9135.3173.6-69-177.9-178.3176.90109.2W364W364-K370 VanDerWaalsContact CE3-C 3.46Å; W364-K370 VanDerWaalsContact CE3-O 3.25Å; W364-K370 WeakPolarHBondContact CZ3-O 3.42Å
371Q90.6Very high94.7Very high62 Ų6285.8 Ų85.829%0.2939%0.387SS..  trans-62.8139.6174.2-168.7168.637.500110.4R63 W364R63-Q371 VanDerWaalsContact CZ-NE2 3.29Å; R63-Q371 VanDerWaalsContact NH2-CD 3.3Å; R63-Q371 VanDerWaalsContact NH2-OE1 3.1Å; W364-Q371 HydrophobicContact CD2-CB 4.03Å; W364-Q371 HydrophobicContact CD2-CG 4.33Å; W364-Q371 HydrophobicContact CG-CB 3.95Å; W364-Q371 HydrophobicContact CG-CG 4.28Å
372P88.7Confident94.7Very high123 Ų12381.6 Ų81.680%0.79938%0.377SS*.  trans-66.20176.527.4-36.3000113.4R63 W364R63-P372 HydrophobicContact CG-CG 4.3Å; W364-P372 VanDerWaalsContact CH2-CD 3.46Å; W364-P372 HydrophobicContact CH2-CG 4.36Å; W364-P372 HydrophobicContact CZ2-CG 4.17Å

Retrieved 372 of 372 residues in 1542.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).