A0A087YLR3_POEFO Loading...

AP complex subunit sigma

Subunit of clathrin-associated adaptor protein complex 1 that plays a role in protein sorting in the late-Golgi/trans-Golgi network (TGN) and/or endosomes. The AP complexes mediate both the recruitment of clathrin to membranes and the recognition of sorting signals within the cytosolic tails of transmembrane cargo molecules.

AlphaFold DB , UniProt , Accession A0A087YLR3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 159 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
1M95Very high97.3Very high16 Ų1634.9 Ų34.98%0.07916%0.164CC..  0138.30-173.5-172.6-52.300112.5M4 Y19 C68 A69 I70 T79 I82 L117 G120 E121M1-M4 HydrophobicContact SD-CB 4.28Å; M1-Y19 HydrophobicContact SD-CE2 4.06Å; M1-C68 HydrophobicContact CE-CB 4.27Å; M1-C68 HydrophobicContact CG-CB 4.3Å; M1-C68 HydrophobicContact SD-CB 3.86Å; M1-A69 VanDerWaalsContact CG-O 3.31Å; M1-A69 WeakPolarHBondContact CG-O 3.46Å; M1-I70 HydrophobicContact CB-CG2 4.25Å; M1-I70 HydrophobicContact CG-CG2 4.08Å; M1-T79 HydrophobicContact CE-CG2 4.32Å; M1-I82 HydrophobicContact CE-CG2 4.05Å; M1-L117 HydrophobicContact CE-CD1 4.23Å; M1-G120 WeakPolarHBondContact CB-O 3.42Å; M1-G120 PolarHBondContact N-O 3.07Å; M1-G120 WeakPolarHBondContact O-CA 3.39Å; M1-E121 PolarHBondContact N-OE1 3.43Å
2Q97.3Very high97.3Very high43 Ų4342.8 Ų42.820%0.20120%0.197CC..  trans-88.8-41.2-179.5-66.7-154.7-2.700114.9Y19 V20 L54 A69Q2-Y19 WeakPolarHBondContact O-CB 3.39Å; Q2-Y19 PolarHBondContact O-N 3.05Å; Q2-V20 HydrophobicContact CB-CG1 4.33Å; Q2-V20 HydrophobicContact CB-CG2 4.14Å; Q2-V20 HydrophobicContact CG-CG1 4.16Å; Q2-L54 HydrophobicContact CG-CD1 4.47Å; Q2-L54 HydrophobicContact CG-CD2 4.43Å; Q2-A69 HydrophobicContact CB-CB 4.5Å; Q2-A69 PolarHBondContact N-O 3.46Å
3F98.1Very high97.4Very high1 Ų144.2 Ų44.20%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-160.2159.9177.157.2-97.5000112.1L5 K17 W18 I30 L34 W51 I56 C68 A69F3-L5 HydrophobicContact CD2-CD1 4.22Å; F3-L5 HydrophobicContact CD2-CD2 4.33Å; F3-L5 HydrophobicContact CD2-CG 3.9Å; F3-L5 HydrophobicContact CE2-CD1 4.03Å; F3-L5 HydrophobicContact CE2-CG 4.2Å; F3-K17 CarbonylContact C-O 3.55Å; F3-K17 WeakPolarHBondContact CA-O 3.38Å; F3-K17 WeakPolarHBondContact CB-O 3.46Å; F3-W18 HydrophobicContact CB-CD2 3.99Å; F3-W18 HydrophobicContact CB-CE3 3.49Å; F3-W18 VanDerWaalsContact CB-CE3 3.49Å; F3-W18 HydrophobicContact CB-CZ3 3.89Å; F3-W18 AromaticContact CD1-CE3 3.66Å; F3-W18 HydrophobicContact CD1-CE3 3.66Å; F3-W18 HydrophobicContact CD1-CH2 4.26Å; F3-W18 AromaticContact CD1-CZ3 3.31Å; F3-W18 HydrophobicContact CD1-CZ3 3.31Å; F3-W18 HydrophobicContact CD2-CH2 4.42Å; F3-W18 HydrophobicContact CD2-CZ3 4.15Å; F3-W18 HydrophobicContact CE1-CH2 4.5Å; F3-W18 AromaticContact CE1-CZ3 3.77Å; F3-W18 HydrophobicContact CE1-CZ3 3.77Å; F3-W18 AromaticContact CG-CE3 3.68Å; F3-W18 HydrophobicContact CG-CE3 3.68Å; F3-W18 HydrophobicContact CG-CH2 4.21Å; F3-W18 AromaticContact CG-CZ3 3.51Å; F3-W18 HydrophobicContact CG-CZ3 3.51Å; F3-W18 HydrophobicContact CZ-CZ3 4.35Å; F3-I30 HydrophobicContact CE1-CG2 4.15Å; F3-I30 HydrophobicContact CE2-CG2 4.36Å; F3-I30 HydrophobicContact CZ-CG2 3.72Å; F3-L34 HydrophobicContact CE2-CD1 3.55Å; F3-L34 HydrophobicContact CZ-CD1 3.48Å; F3-L34 VanDerWaalsContact CZ-CD1 3.48Å; F3-W51 HydrophobicContact CZ-CZ3 4.33Å; F3-I56 HydrophobicContact CZ-CD1 4.4Å; F3-C68 WeakPolarHBondContact O-CA 3.42Å; F3-A69 HydrophobicContact CD1-CB 3.82Å; F3-A69 HydrophobicContact CD2-CB 4Å; F3-A69 HydrophobicContact CE1-CB 3.38Å; F3-A69 HydrophobicContact CE2-CB 3.58Å; F3-A69 HydrophobicContact CG-CB 4.12Å; F3-A69 HydrophobicContact CZ-CB 3.26Å; F3-A69 PolarHBondContact O-N 3.36Å
4M98.4Very high97.4Very high0 Ų045.4 Ų45.40%021%0.208CC..EExtended strand (participates in β ladder)trans-128.7129.2174.4-177.7171.4-166.900110.1M1 L6 Q16 K17 F66 C67 I83 Y86 L113 L117M1-M4 HydrophobicContact SD-CB 4.28Å; M4-L6 HydrophobicContact CE-CD1 3.99Å; M4-L6 HydrophobicContact CG-CD1 4.03Å; M4-Q16 WeakPolarHBondContact O-CA 3.31Å; M4-K17 PolarHBondContact N-O 2.85Å; M4-K17 PolarHBondContact O-N 3.49Å; M4-F66 HydrophobicContact CE-CD1 3.78Å; M4-C67 CarbonylContact C-O 3.52Å; M4-C67 WeakPolarHBondContact CA-O 3.45Å; M4-I83 HydrophobicContact CE-CG1 4.42Å; M4-Y86 HydrophobicContact CE-CD1 3.53Å; M4-Y86 HydrophobicContact CE-CE1 4.09Å; M4-Y86 HydrophobicContact CE-CG 4.35Å; M4-Y86 HydrophobicContact SD-CD1 4.42Å; M4-L113 HydrophobicContact SD-CD1 3.8Å; M4-L113 HydrophobicContact SD-CD2 4.39Å; M4-L117 HydrophobicContact SD-CD1 4.47Å
5L98.4Very high97.5Very high0 Ų042.5 Ų42.50%020%0.195CC..EExtended strand (participates in β ladder)trans-120.3136.6178.6-53.9178.2000110F3 F7 L13 Q16 W18 T31 C67F3-L5 HydrophobicContact CD2-CD1 4.22Å; F3-L5 HydrophobicContact CD2-CD2 4.33Å; F3-L5 HydrophobicContact CD2-CG 3.9Å; F3-L5 HydrophobicContact CE2-CD1 4.03Å; F3-L5 HydrophobicContact CE2-CG 4.2Å; L5-F7 HydrophobicContact CB-CD1 4.26Å; L5-F7 HydrophobicContact CB-CE1 4.5Å; L5-L13 HydrophobicContact CB-CD1 4.37Å; L5-L13 HydrophobicContact CD2-CD1 4.37Å; L5-Q16 HydrophobicContact CD2-CB 3.63Å; L5-W18 HydrophobicContact CD2-CZ2 4.12Å; L5-T31 HydrophobicContact CD1-CG2 4.46Å; L5-C67 HydrophobicContact CB-CB 4.34Å; L5-C67 PolarHBondContact N-O 2.85Å; L5-C67 PolarHBondContact O-N 3.38Å
6L98.4Very high97.5Very high0 Ų044.4 Ų44.40%020%0.204CC..EExtended strand (participates in β ladder)trans-116.2128.6166.1-74.458.7000108.7M4 L13 R14 L15 Y65 F66 Y86 I102M4-L6 HydrophobicContact CE-CD1 3.99Å; M4-L6 HydrophobicContact CG-CD1 4.03Å; L6-L13 WeakPolarHBondContact O-CD1 3.49Å; L6-R14 HydrophobicContact CB-CB 4.29Å; L6-R14 PolarHBondContact O-N 3.42Å; L6-L15 HydrophobicContact CB-CB 3.94Å; L6-L15 HydrophobicContact CD1-CB 4.16Å; L6-L15 HydrophobicContact CD1-CD2 4.01Å; L6-L15 HydrophobicContact CD2-CB 4.04Å; L6-L15 HydrophobicContact CG-CB 4.26Å; L6-L15 PolarHBondContact N-O 3.25Å; L6-L15 PolarHBondContact O-N 3.46Å; L6-Y65 VanDerWaalsContact CA-O 3.27Å; L6-Y65 WeakPolarHBondContact CA-O 3.37Å; L6-F66 HydrophobicContact CD1-CD1 3.81Å; L6-F66 HydrophobicContact CD1-CE1 4.1Å; L6-F66 HydrophobicContact CD2-CD1 4.04Å; L6-F66 HydrophobicContact CD2-CE1 3.48Å; L6-F66 VanDerWaalsContact CD2-CE1 3.48Å; L6-F66 HydrophobicContact CD2-CZ 3.85Å; L6-F66 HydrophobicContact CG-CD1 3.67Å; L6-F66 HydrophobicContact CG-CE1 3.65Å; L6-F66 HydrophobicContact CG-CG 4.2Å; L6-F66 HydrophobicContact CG-CZ 4.16Å; L6-Y86 HydrophobicContact CD1-CE1 4.45Å; L6-Y86 HydrophobicContact CD2-CE1 4.18Å; L6-I102 HydrophobicContact CD2-CD1 4.38Å
7F98.5Very high97.5Very high0 Ų044.6 Ų44.60%020%0.204CC..EExtended strand (participates in β ladder)trans-145.3152.4177.353.7-88.4000112.1L5 K12 L13 V35 V38 L39 Y65 C67L5-F7 HydrophobicContact CB-CD1 4.26Å; L5-F7 HydrophobicContact CB-CE1 4.5Å; F7-K12 CarbonylContact C-O 3.51Å; F7-K12 WeakPolarHBondContact CA-O 3.46Å; F7-K12 WeakPolarHBondContact CB-O 3.43Å; F7-L13 HydrophobicContact CB-CD1 4.44Å; F7-V35 HydrophobicContact CB-CG2 4.21Å; F7-V35 HydrophobicContact CD1-CG2 3.69Å; F7-V35 HydrophobicContact CD2-CB 4.44Å; F7-V35 HydrophobicContact CD2-CG1 3.94Å; F7-V35 HydrophobicContact CD2-CG2 4.02Å; F7-V35 HydrophobicContact CE1-CG2 3.96Å; F7-V35 HydrophobicContact CE2-CB 4.46Å; F7-V35 HydrophobicContact CE2-CG1 4.2Å; F7-V35 HydrophobicContact CE2-CG2 4.28Å; F7-V35 HydrophobicContact CG-CG1 4.37Å; F7-V35 HydrophobicContact CG-CG2 3.72Å; F7-V35 HydrophobicContact CZ-CG2 4.25Å; F7-V38 HydrophobicContact CE2-CB 4.41Å; F7-V38 HydrophobicContact CE2-CG1 4.21Å; F7-V38 HydrophobicContact CZ-CB 3.89Å; F7-V38 HydrophobicContact CZ-CG1 3.79Å; F7-V38 HydrophobicContact CZ-CG2 4.42Å; F7-L39 HydrophobicContact CD2-CD2 4.44Å; F7-L39 HydrophobicContact CE2-CD2 4.08Å; F7-L39 HydrophobicContact CE2-CG 4.06Å; F7-Y65 HydrophobicContact CD2-CD2 4.41Å; F7-Y65 HydrophobicContact CD2-CG 4.26Å; F7-Y65 VanDerWaalsContact CE2-CB 3.41Å; F7-Y65 HydrophobicContact CE2-CD1 4.29Å; F7-Y65 HydrophobicContact CE2-CD2 4.21Å; F7-Y65 AromaticContact CE2-CG 3.74Å; F7-Y65 HydrophobicContact CE2-CG 3.74Å; F7-Y65 HydrophobicContact CZ-CG 4.24Å; F7-Y65 PolarHBondContact N-O 3.35Å; F7-Y65 PolarHBondContact O-N 3.36Å; F7-C67 HydrophobicContact CE1-CB 3.73Å; F7-C67 HydrophobicContact CZ-CB 4.4Å
8S97.8Very high97.6Very high0 Ų044.2 Ų44.20%020%0.201CC..EExtended strand (participates in β ladder)trans-76168179.983.60000112Q10 G11 K12 S63 E99S8-Q10 PolarHBondContact O-N 3.37Å; S8-Q10 VanDerWaalsContact O-N 3.14Å; S8-Q10 PolarHBondContact OG-N 2.87Å; S8-Q10 VanDerWaalsContact OG-N 3.11Å; S8-Q10 PolarHBondContact OG-OE1 2.93Å; S8-G11 WeakPolarHBondContact O-CA 3.43Å; S8-G11 PolarHBondContact O-N 3.31Å; S8-K12 PolarHBondContact N-O 3.21Å; S8-K12 PolarHBondContact OG-N 2.85Å; S8-S63 CarbonylContact C-O 3.53Å; S8-E99 WeakPolarHBondContact CB-OE1 3.3Å
9R96.2Very high97.6Very high162 Ų16244 Ų4461%0.61120%0.198SC*.THydrogen-bonded Turntrans-56.5-25.2169.9-173.9177.9172.5-171-2.4113.5G11 S63 Y65R9-G11 VanDerWaalsContact C-N 3.26Å; R9-S63 PolarHBondContact N-O 2.88Å; R9-Y65 HydrophobicContact CB-CE2 4.38Å
10Q96.1Very high97.5Very high136 Ų13643.9 Ų43.964%0.63620%0.201SC*.THydrogen-bonded Turntrans-85.64.1174.4-52.285.26.800113S8 K12S8-Q10 PolarHBondContact O-N 3.37Å; S8-Q10 VanDerWaalsContact O-N 3.14Å; S8-Q10 PolarHBondContact OG-N 2.87Å; S8-Q10 VanDerWaalsContact OG-N 3.11Å; S8-Q10 PolarHBondContact OG-OE1 2.93Å; Q10-K12 VanDerWaalsContact C-N 3.32Å; Q10-K12 PolarHBondContact O-N 3.39Å
11G96.6Very high97.4Very high26 Ų2648.1 Ų48.127%0.26823%0.233SC..  trans77.214.3-178.900000114.5S8 R9S8-G11 WeakPolarHBondContact O-CA 3.43Å; S8-G11 PolarHBondContact O-N 3.31Å; R9-G11 VanDerWaalsContact C-N 3.26Å
12K97.3Very high97.5Very high129 Ų12949.6 Ų49.656%0.56124%0.241SC*.  trans-79122.1175.3-66.1-173.7177.6-176.70109.5F7 S8 Q10F7-K12 CarbonylContact C-O 3.51Å; F7-K12 WeakPolarHBondContact CA-O 3.46Å; F7-K12 WeakPolarHBondContact CB-O 3.43Å; S8-K12 PolarHBondContact N-O 3.21Å; S8-K12 PolarHBondContact OG-N 2.85Å; Q10-K12 VanDerWaalsContact C-N 3.32Å; Q10-K12 PolarHBondContact O-N 3.39Å
13L97.9Very high97.5Very high61 Ų6150.2 Ų50.232%0.31925%0.25SC..EExtended strand (participates in β ladder)trans-68.1134.3176.8-164.571000110.3L5 L6 F7 Q16 T31L5-L13 HydrophobicContact CB-CD1 4.37Å; L5-L13 HydrophobicContact CD2-CD1 4.37Å; L6-L13 WeakPolarHBondContact O-CD1 3.49Å; F7-L13 HydrophobicContact CB-CD1 4.44Å; L13-Q16 HydrophobicContact CD2-CB 3.95Å; L13-Q16 HydrophobicContact CD2-CG 3.73Å; L13-T31 HydrophobicContact CD1-CG2 3.81Å; L13-T31 HydrophobicContact CD2-CG2 4.1Å; L13-T31 HydrophobicContact CG-CG2 4.48Å
14R97.8Very high97.5Very high61 Ų6155.4 Ų55.423%0.2328%0.278CS..EExtended strand (participates in β ladder)trans-112.4-36.4178.5-55.4-51.3-175.3-176.65.6112L6 L64 E99 I102L6-R14 HydrophobicContact CB-CB 4.29Å; L6-R14 PolarHBondContact O-N 3.42Å; R14-L64 HydrophobicContact CG-CD2 3.84Å; R14-E99 IonicContact CZ-OE1 3.33Å; R14-E99 IonicContact NE-OE1 2.74Å; R14-E99 PolarHBondContact NE-OE1 2.97Å; R14-E99 IonicContact NH2-OE1 2.76Å; R14-E99 PolarHBondContact NH2-OE1 3.07Å; R14-I102 HydrophobicContact CB-CG2 4.35Å
15L98.1Very high97.4Very high2 Ų263.9 Ų63.91%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-147.3142.8176.7-172.3149.4000109.3L6 K17 A109 Y110 L113L6-L15 HydrophobicContact CB-CB 3.94Å; L6-L15 HydrophobicContact CD1-CB 4.16Å; L6-L15 HydrophobicContact CD1-CD2 4.01Å; L6-L15 HydrophobicContact CD2-CB 4.04Å; L6-L15 HydrophobicContact CG-CB 4.26Å; L6-L15 PolarHBondContact N-O 3.25Å; L6-L15 PolarHBondContact O-N 3.46Å; L15-K17 HydrophobicContact CD2-CB 4.23Å; L15-A109 HydrophobicContact CD1-CB 4.06Å; L15-Y110 HydrophobicContact CD1-CD1 4.19Å; L15-Y110 HydrophobicContact CD1-CD2 4.28Å; L15-Y110 HydrophobicContact CD1-CE1 4.19Å; L15-Y110 HydrophobicContact CD1-CE2 4.26Å; L15-Y110 HydrophobicContact CD1-CG 4.23Å; L15-Y110 HydrophobicContact CD2-CE1 4.05Å; L15-Y110 HydrophobicContact CG-CD1 4.21Å; L15-Y110 HydrophobicContact CG-CE1 3.71Å; L15-Y110 HydrophobicContact CG-CE2 4.03Å; L15-L113 HydrophobicContact CD1-CD2 4.34Å; L15-L113 HydrophobicContact CD2-CD2 3.69Å
16Q97.9Very high97.4Very high73 Ų7368.3 Ų68.334%0.34134%0.335SS..EExtended strand (participates in β ladder)trans-140.1114.6168.750.216811.100110.2M4 L5 L13 Y110M4-Q16 WeakPolarHBondContact O-CA 3.31Å; L5-Q16 HydrophobicContact CD2-CB 3.63Å; L13-Q16 HydrophobicContact CD2-CB 3.95Å; L13-Q16 HydrophobicContact CD2-CG 3.73Å; Q16-Y110 PolarHBondContact N-OH 3.42Å; Q16-Y110 PolarHBondContact O-OH 3.22Å
17K98.1Very high97.4Very high49 Ų4970.4 Ų70.421%0.21334%0.344CS..EExtended strand (participates in β ladder)trans-110.5121.7173.2-169.873.2178.2-166.90108.5F3 M4 L15 Y19 Y110 L113 D114F3-K17 CarbonylContact C-O 3.55Å; F3-K17 WeakPolarHBondContact CA-O 3.38Å; F3-K17 WeakPolarHBondContact CB-O 3.46Å; M4-K17 PolarHBondContact N-O 2.85Å; M4-K17 PolarHBondContact O-N 3.49Å; L15-K17 HydrophobicContact CD2-CB 4.23Å; K17-Y19 HydrophobicContact CD-CE1 4.47Å; K17-Y19 HydrophobicContact CG-CD1 4.33Å; K17-Y19 HydrophobicContact CG-CE1 3.69Å; K17-Y19 HydrophobicContact CG-CE2 4.02Å; K17-Y110 HydrophobicContact CD-CD1 4.42Å; K17-L113 HydrophobicContact CB-CD2 3.74Å; K17-L113 HydrophobicContact CG-CD2 4.04Å; K17-D114 WeakPolarHBondContact CE-OD1 3.42Å; K17-D114 IonicContact NZ-OD1 2.86Å; K17-D114 PolarHBondContact NZ-OD1 3.28Å; K17-D114 IonicContact NZ-OD2 3.68Å; K17-D114 PolarHBondContact NZ-OD2 3.25Å
18W98.2Very high97.3Very high36 Ų3677.5 Ų77.514%0.13638%0.375CS..EExtended strand (participates in β ladder)trans-110.9118178.2-60.690.8000108.1F3 L5 L22 K27 I30F3-W18 HydrophobicContact CB-CD2 3.99Å; F3-W18 HydrophobicContact CB-CE3 3.49Å; F3-W18 VanDerWaalsContact CB-CE3 3.49Å; F3-W18 HydrophobicContact CB-CZ3 3.89Å; F3-W18 AromaticContact CD1-CE3 3.66Å; F3-W18 HydrophobicContact CD1-CE3 3.66Å; F3-W18 HydrophobicContact CD1-CH2 4.26Å; F3-W18 AromaticContact CD1-CZ3 3.31Å; F3-W18 HydrophobicContact CD1-CZ3 3.31Å; F3-W18 HydrophobicContact CD2-CH2 4.42Å; F3-W18 HydrophobicContact CD2-CZ3 4.15Å; F3-W18 HydrophobicContact CE1-CH2 4.5Å; F3-W18 AromaticContact CE1-CZ3 3.77Å; F3-W18 HydrophobicContact CE1-CZ3 3.77Å; F3-W18 AromaticContact CG-CE3 3.68Å; F3-W18 HydrophobicContact CG-CE3 3.68Å; F3-W18 HydrophobicContact CG-CH2 4.21Å; F3-W18 AromaticContact CG-CZ3 3.51Å; F3-W18 HydrophobicContact CG-CZ3 3.51Å; F3-W18 HydrophobicContact CZ-CZ3 4.35Å; L5-W18 HydrophobicContact CD2-CZ2 4.12Å; W18-L22 HydrophobicContact CE3-CD1 3.61Å; W18-L22 HydrophobicContact CZ3-CD1 3.6Å; W18-K27 HydrophobicContact CD2-CD 4.09Å; W18-K27 HydrophobicContact CD2-CG 3.78Å; W18-K27 HydrophobicContact CE3-CG 4.21Å; W18-K27 HydrophobicContact CG-CD 4.01Å; W18-K27 HydrophobicContact CG-CG 4.24Å; W18-K27 HydrophobicContact CH2-CB 4.2Å; W18-K27 HydrophobicContact CH2-CG 4.23Å; W18-K27 HydrophobicContact CZ2-CB 3.61Å; W18-K27 HydrophobicContact CZ2-CG 3.79Å; W18-K27 HydrophobicContact CZ3-CG 4.41Å; W18-I30 HydrophobicContact CH2-CB 3.98Å; W18-I30 HydrophobicContact CH2-CD1 4.41Å; W18-I30 HydrophobicContact CH2-CG2 3.8Å; W18-I30 HydrophobicContact CZ3-CD1 4.28Å; W18-I30 HydrophobicContact CZ3-CG2 4.26Å
19Y97.6Very high97.3Very high41 Ų4183.8 Ų83.816%0.16140%0.402CS..SBendtrans-92.3-12.5178.4-59.7-71.3000112.3M1 Q2 K17 L117 G120M1-Y19 HydrophobicContact SD-CE2 4.06Å; Q2-Y19 WeakPolarHBondContact O-CB 3.39Å; Q2-Y19 PolarHBondContact O-N 3.05Å; K17-Y19 HydrophobicContact CD-CE1 4.47Å; K17-Y19 HydrophobicContact CG-CD1 4.33Å; K17-Y19 HydrophobicContact CG-CE1 3.69Å; K17-Y19 HydrophobicContact CG-CE2 4.02Å; Y19-L117 WeakPolarHBondContact OH-CB 3.37Å; Y19-G120 VanDerWaalsContact CG-CA 3.47Å; Y19-G120 VanDerWaalsContact CG-N 3.34Å
20V96.6Very high97.4Very high41 Ų4176.7 Ų76.725%0.24838%0.377CS..SBendtrans-108.7144.2173.5-66.30000111.5Q2 L22Q2-V20 HydrophobicContact CB-CG1 4.33Å; Q2-V20 HydrophobicContact CB-CG2 4.14Å; Q2-V20 HydrophobicContact CG-CG1 4.16Å; V20-L22 HydrophobicContact CG2-CD1 3.98Å; V20-L22 HydrophobicContact CG2-CG 3.99Å; V20-L22 PolarHBondContact O-N 2.97Å
21P95.9Very high97.5Very high133 Ų13371 Ų7186%0.86435%0.351SS*.  trans-71.8112.5177.329.3-33.1000110
22L96.3Very high97.5Very high47 Ų4777.9 Ų77.925%0.24637%0.369CS..  trans-129.8150.3175.2-63.3174.6000110.3W18 V20 K27 I30W18-L22 HydrophobicContact CE3-CD1 3.61Å; W18-L22 HydrophobicContact CZ3-CD1 3.6Å; V20-L22 HydrophobicContact CG2-CD1 3.98Å; V20-L22 HydrophobicContact CG2-CG 3.99Å; V20-L22 PolarHBondContact O-N 2.97Å; L22-K27 HydrophobicContact CB-CG 3.93Å; L22-K27 WeakPolarHBondContact O-CE 3.48Å; L22-K27 PolarHBondContact O-NZ 2.91Å; L22-I30 HydrophobicContact CD1-CD1 3.98Å
23S97.8Very high97.6Very high56 Ų5674.6 Ų74.639%0.39236%0.356SS..  trans-68.4152173.771.70000111.3K25 E26 K27S23-K25 PolarHBondContact O-N 2.75Å; S23-K25 VanDerWaalsContact O-N 3.16Å; S23-E26 VanDerWaalsContact CB-OE2 3.28Å; S23-E26 WeakPolarHBondContact CB-OE2 3.35Å; S23-E26 PolarHBondContact N-OE2 2.83Å; S23-E26 PolarHBondContact O-N 2.88Å; S23-E26 VanDerWaalsContact OG-CD 3.31Å; S23-E26 VanDerWaalsContact OG-CG 3.27Å; S23-E26 WeakPolarHBondContact OG-CG 3.36Å; S23-E26 PolarHBondContact OG-N 2.99Å; S23-E26 PolarHBondContact OG-OE2 2.89Å; S23-K27 WeakPolarHBondContact O-CG 3.26Å; S23-K27 PolarHBondContact O-N 3.35Å
24D97.1Very high97.5Very high111 Ų11171.7 Ų71.759%0.59434%0.34SS*.Hα-helixtrans-61.4-27.9178.5-68.4-26.8000113K27 K28D24-K27 IonicContact OD1-NZ 2.63Å; D24-K28 WeakPolarHBondContact O-CB 3.25Å; D24-K28 VanDerWaalsContact O-CG 3.23Å; D24-K28 WeakPolarHBondContact O-CG 3.2Å; D24-K28 PolarHBondContact O-N 2.85Å
25K97.8Very high97.6Very high177 Ų17769.4 Ų69.477%0.7733%0.333SS*.Hα-helixtrans-65-45.1174.1-175-179.6178.2-177.60110.9S23 K29S23-K25 PolarHBondContact O-N 2.75Å; S23-K25 VanDerWaalsContact O-N 3.16Å; K25-K29 PolarHBondContact O-N 3.19Å; K25-K29 VanDerWaalsContact O-N 3.09Å
26E97.2Very high97.5Very high94 Ų9475.2 Ų75.244%0.43936%0.36SS..Hα-helixtrans-67.4-47.6177.4-71165.4122.500111.2S23 K28 K29 I30S23-E26 VanDerWaalsContact CB-OE2 3.28Å; S23-E26 WeakPolarHBondContact CB-OE2 3.35Å; S23-E26 PolarHBondContact N-OE2 2.83Å; S23-E26 PolarHBondContact O-N 2.88Å; S23-E26 VanDerWaalsContact OG-CD 3.31Å; S23-E26 VanDerWaalsContact OG-CG 3.27Å; S23-E26 WeakPolarHBondContact OG-CG 3.36Å; S23-E26 PolarHBondContact OG-N 2.99Å; S23-E26 PolarHBondContact OG-OE2 2.89Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 2.81Å; E26-K29 WeakPolarHBondContact O-CB 2.94Å; E26-K29 PolarHBondContact O-N 3.48Å; E26-I30 VanDerWaalsContact O-CG1 3.29Å; E26-I30 WeakPolarHBondContact O-CG1 3.28Å; E26-I30 PolarHBondContact O-N 3.14Å
27K97.9Very high97.5Very high44 Ų4474.4 Ų74.419%0.19136%0.36CS..Hα-helixtrans-52.3-49.8175.8-67.7175.2177.7160.90111.3W18 L22 S23 D24 K29 I30 T31W18-K27 HydrophobicContact CD2-CD 4.09Å; W18-K27 HydrophobicContact CD2-CG 3.78Å; W18-K27 HydrophobicContact CE3-CG 4.21Å; W18-K27 HydrophobicContact CG-CD 4.01Å; W18-K27 HydrophobicContact CG-CG 4.24Å; W18-K27 HydrophobicContact CH2-CB 4.2Å; W18-K27 HydrophobicContact CH2-CG 4.23Å; W18-K27 HydrophobicContact CZ2-CB 3.61Å; W18-K27 HydrophobicContact CZ2-CG 3.79Å; W18-K27 HydrophobicContact CZ3-CG 4.41Å; L22-K27 HydrophobicContact CB-CG 3.93Å; L22-K27 WeakPolarHBondContact O-CE 3.48Å; L22-K27 PolarHBondContact O-NZ 2.91Å; S23-K27 WeakPolarHBondContact O-CG 3.26Å; S23-K27 PolarHBondContact O-N 3.35Å; D24-K27 IonicContact OD1-NZ 2.63Å; K27-K29 VanDerWaalsContact C-N 3.35Å; K27-K29 PolarHBondContact O-N 3.42Å; K27-I30 PolarHBondContact O-N 3.11Å; K27-T31 WeakPolarHBondContact O-CB 3.38Å; K27-T31 PolarHBondContact O-N 3.07Å; K27-T31 PolarHBondContact O-OG1 2.83Å
28K97.6Very high97.5Very high149 Ų14972.1 Ų72.165%0.64835%0.35SS*.Hα-helixtrans-61.4-39.6177.5-75173.2-177.1175.70113D24 E26 R32D24-K28 WeakPolarHBondContact O-CB 3.25Å; D24-K28 VanDerWaalsContact O-CG 3.23Å; D24-K28 WeakPolarHBondContact O-CG 3.2Å; D24-K28 PolarHBondContact O-N 2.85Å; E26-K28 VanDerWaalsContact C-N 3.31Å; E26-K28 PolarHBondContact O-N 2.81Å; K28-R32 WeakPolarHBondContact O-CB 3.2Å; K28-R32 PolarHBondContact O-N 3.11Å; K28-R32 VanDerWaalsContact O-N 3.16Å
29K97.8Very high97.4Very high132 Ų13273 Ų7357%0.57436%0.357SS*.Hα-helixtrans-64.7-51177.4-175-174179.1-171.50110.7K25 E26 K27 R32 E33K25-K29 PolarHBondContact O-N 3.19Å; K25-K29 VanDerWaalsContact O-N 3.09Å; E26-K29 WeakPolarHBondContact O-CB 2.94Å; E26-K29 PolarHBondContact O-N 3.48Å; K27-K29 VanDerWaalsContact C-N 3.35Å; K27-K29 PolarHBondContact O-N 3.42Å; K29-R32 PolarHBondContact O-N 2.91Å; K29-E33 WeakPolarHBondContact O-CB 3.46Å; K29-E33 PolarHBondContact O-N 3.44Å
30I97.8Very high97.4Very high13 Ų1375 Ų757%0.06738%0.383CS..Hα-helixtrans-61-49.6-179.1-65.7171000110.4F3 W18 L22 E26 K27 R32 E33 L34 W51F3-I30 HydrophobicContact CE1-CG2 4.15Å; F3-I30 HydrophobicContact CE2-CG2 4.36Å; F3-I30 HydrophobicContact CZ-CG2 3.72Å; W18-I30 HydrophobicContact CH2-CB 3.98Å; W18-I30 HydrophobicContact CH2-CD1 4.41Å; W18-I30 HydrophobicContact CH2-CG2 3.8Å; W18-I30 HydrophobicContact CZ3-CD1 4.28Å; W18-I30 HydrophobicContact CZ3-CG2 4.26Å; L22-I30 HydrophobicContact CD1-CD1 3.98Å; E26-I30 VanDerWaalsContact O-CG1 3.29Å; E26-I30 WeakPolarHBondContact O-CG1 3.28Å; E26-I30 PolarHBondContact O-N 3.14Å; K27-I30 PolarHBondContact O-N 3.11Å; I30-R32 VanDerWaalsContact C-N 3.33Å; I30-R32 PolarHBondContact O-N 2.84Å; I30-E33 PolarHBondContact O-N 3.5Å; I30-L34 HydrophobicContact CG2-CD1 3.77Å; I30-L34 HydrophobicContact CG2-CG 4.35Å; I30-L34 WeakPolarHBondContact O-CB 3.26Å; I30-L34 PolarHBondContact O-N 2.91Å; I30-W51 HydrophobicContact CB-CH2 4.27Å; I30-W51 HydrophobicContact CD1-CH2 4.29Å; I30-W51 HydrophobicContact CG1-CH2 3.89Å; I30-W51 HydrophobicContact CG1-CZ2 4.37Å; I30-W51 HydrophobicContact CG2-CH2 3.6Å; I30-W51 HydrophobicContact CG2-CZ2 4.1Å; I30-W51 HydrophobicContact CG2-CZ3 4.36Å
31T98Very high97.4Very high15 Ų1575.8 Ų75.89%0.09238%0.381CS..Hα-helixtrans-57.1-46.2178.6-62.70000111.5L5 L13 K27 V35L5-T31 HydrophobicContact CD1-CG2 4.46Å; L13-T31 HydrophobicContact CD1-CG2 3.81Å; L13-T31 HydrophobicContact CD2-CG2 4.1Å; L13-T31 HydrophobicContact CG-CG2 4.48Å; K27-T31 WeakPolarHBondContact O-CB 3.38Å; K27-T31 PolarHBondContact O-N 3.07Å; K27-T31 PolarHBondContact O-OG1 2.83Å; T31-V35 HydrophobicContact CG2-CG2 4.13Å; T31-V35 VanDerWaalsContact O-CB 3.24Å; T31-V35 WeakPolarHBondContact O-CB 3.44Å; T31-V35 WeakPolarHBondContact O-CG2 3.33Å; T31-V35 PolarHBondContact O-N 2.86Å
32R97.8Very high97.3Very high171 Ų17177 Ų7765%0.64537%0.373SS*.Hα-helixtrans-62.3-47.1179.6-174.4-176.4-62.5156.5-0.1111.8K28 K29 I30 Q36K28-R32 WeakPolarHBondContact O-CB 3.2Å; K28-R32 PolarHBondContact O-N 3.11Å; K28-R32 VanDerWaalsContact O-N 3.16Å; K29-R32 PolarHBondContact O-N 2.91Å; I30-R32 VanDerWaalsContact C-N 3.33Å; I30-R32 PolarHBondContact O-N 2.84Å; R32-Q36 WeakPolarHBondContact O-CB 3.36Å; R32-Q36 VanDerWaalsContact O-CG 3.26Å; R32-Q36 WeakPolarHBondContact O-CG 3.43Å; R32-Q36 PolarHBondContact O-N 2.98Å; R32-Q36 VanDerWaalsContact O-N 3.13Å
33E97.6Very high97Very high61 Ų6181 Ų8129%0.28540%0.401SS..Hα-helixtrans-61.9-48.7-179.1-174.2-177.1154.100111.8K29 I30 Q36 T37 W51 R52K29-E33 WeakPolarHBondContact O-CB 3.46Å; K29-E33 PolarHBondContact O-N 3.44Å; I30-E33 PolarHBondContact O-N 3.5Å; E33-Q36 PolarHBondContact O-N 2.91Å; E33-T37 WeakPolarHBondContact O-CB 3.47Å; E33-T37 PolarHBondContact O-N 2.76Å; E33-T37 PolarHBondContact O-OG1 2.87Å; E33-W51 PolarHBondContact OE1-NE1 3.13Å; E33-R52 IonicContact OE1-NE 2.77Å; E33-R52 IonicContact OE1-NH2 2.78Å; E33-R52 IonicContact OE2-CZ 3.21Å; E33-R52 IonicContact OE2-NH2 2.85Å; E33-R52 PolarHBondContact OE2-NH2 3.01Å
34L97.8Very high96.6Very high0 Ų088.4 Ų88.40%043%0.427CS..Hα-helixtrans-70-41.5-178.7-75.2179.6000112.9F3 I30 Q36 T37 V38 W51 I56F3-L34 HydrophobicContact CE2-CD1 3.55Å; F3-L34 HydrophobicContact CZ-CD1 3.48Å; F3-L34 VanDerWaalsContact CZ-CD1 3.48Å; I30-L34 HydrophobicContact CG2-CD1 3.77Å; I30-L34 HydrophobicContact CG2-CG 4.35Å; I30-L34 WeakPolarHBondContact O-CB 3.26Å; I30-L34 PolarHBondContact O-N 2.91Å; L34-Q36 VanDerWaalsContact C-N 3.32Å; L34-Q36 PolarHBondContact O-N 3.26Å; L34-T37 PolarHBondContact O-N 2.76Å; L34-V38 WeakPolarHBondContact O-CB 3.4Å; L34-V38 WeakPolarHBondContact O-CG2 3.37Å; L34-V38 PolarHBondContact O-N 2.88Å; L34-W51 HydrophobicContact CD1-CZ3 4.5Å; L34-W51 HydrophobicContact CD2-CB 4.42Å; L34-W51 HydrophobicContact CD2-CD2 3.73Å; L34-W51 HydrophobicContact CD2-CE3 4.38Å; L34-W51 HydrophobicContact CD2-CG 3.73Å; L34-W51 HydrophobicContact CD2-CZ2 4.44Å; L34-W51 HydrophobicContact CG-CD2 4.38Å; L34-W51 HydrophobicContact CG-CZ2 4.28Å; L34-I56 HydrophobicContact CD1-CD1 3.97Å; L34-I56 HydrophobicContact CD2-CD1 4.12Å; L34-I56 HydrophobicContact CD2-CG1 3.84Å
35V98.2Very high96.5Very high12 Ų1287.1 Ų87.17%0.07342%0.418CS..Hα-helixtrans-59.6-46.2176.4169.60000110.3F7 T31 L39F7-V35 HydrophobicContact CB-CG2 4.21Å; F7-V35 HydrophobicContact CD1-CG2 3.69Å; F7-V35 HydrophobicContact CD2-CB 4.44Å; F7-V35 HydrophobicContact CD2-CG1 3.94Å; F7-V35 HydrophobicContact CD2-CG2 4.02Å; F7-V35 HydrophobicContact CE1-CG2 3.96Å; F7-V35 HydrophobicContact CE2-CB 4.46Å; F7-V35 HydrophobicContact CE2-CG1 4.2Å; F7-V35 HydrophobicContact CE2-CG2 4.28Å; F7-V35 HydrophobicContact CG-CG1 4.37Å; F7-V35 HydrophobicContact CG-CG2 3.72Å; F7-V35 HydrophobicContact CZ-CG2 4.25Å; T31-V35 HydrophobicContact CG2-CG2 4.13Å; T31-V35 VanDerWaalsContact O-CB 3.24Å; T31-V35 WeakPolarHBondContact O-CB 3.44Å; T31-V35 WeakPolarHBondContact O-CG2 3.33Å; T31-V35 PolarHBondContact O-N 2.86Å; V35-L39 HydrophobicContact CG1-CD1 3.72Å; V35-L39 HydrophobicContact CG1-CG 4.34Å; V35-L39 VanDerWaalsContact O-CB 3.31Å; V35-L39 WeakPolarHBondContact O-CB 3.11Å; V35-L39 WeakPolarHBondContact O-CG 3.23Å; V35-L39 PolarHBondContact O-N 2.81Å
36Q97.4Very high96.4Very high124 Ų12482.1 Ų82.158%0.57940%0.404SS*.Hα-helixtrans-61.9-45.6176.7-73.7175.6-12.100111.8R32 E33 L34 L39 A40R32-Q36 WeakPolarHBondContact O-CB 3.36Å; R32-Q36 VanDerWaalsContact O-CG 3.26Å; R32-Q36 WeakPolarHBondContact O-CG 3.43Å; R32-Q36 PolarHBondContact O-N 2.98Å; R32-Q36 VanDerWaalsContact O-N 3.13Å; E33-Q36 PolarHBondContact O-N 2.91Å; L34-Q36 VanDerWaalsContact C-N 3.32Å; L34-Q36 PolarHBondContact O-N 3.26Å; Q36-L39 PolarHBondContact O-N 3.04Å; Q36-A40 WeakPolarHBondContact O-CB 3.47Å; Q36-A40 PolarHBondContact O-N 3.38Å; Q36-A40 VanDerWaalsContact O-N 3.07Å
37T97.1Very high96.4Very high57 Ų5779 Ų7935%0.3539%0.393SS..Hα-helixtrans-61.7-47.6-179.6-59.30000111.8E33 L34 A40 R41E33-T37 WeakPolarHBondContact O-CB 3.47Å; E33-T37 PolarHBondContact O-N 2.76Å; E33-T37 PolarHBondContact O-OG1 2.87Å; L34-T37 PolarHBondContact O-N 2.76Å; T37-A40 PolarHBondContact O-N 2.99Å; T37-R41 WeakPolarHBondContact O-CG 3.31Å
38V97.5Very high96.3Very high1 Ų179.6 Ų79.61%0.00640%0.396CS..Hα-helixtrans-68.8-40.8-178.8171.60000111.5F7 L34 A40 R41 L49 Y58 Y65F7-V38 HydrophobicContact CE2-CB 4.41Å; F7-V38 HydrophobicContact CE2-CG1 4.21Å; F7-V38 HydrophobicContact CZ-CB 3.89Å; F7-V38 HydrophobicContact CZ-CG1 3.79Å; F7-V38 HydrophobicContact CZ-CG2 4.42Å; L34-V38 WeakPolarHBondContact O-CB 3.4Å; L34-V38 WeakPolarHBondContact O-CG2 3.37Å; L34-V38 PolarHBondContact O-N 2.88Å; V38-A40 VanDerWaalsContact C-N 3.3Å; V38-A40 PolarHBondContact O-N 2.81Å; V38-R41 WeakPolarHBondContact O-CB 3.46Å; V38-R41 PolarHBondContact O-N 2.86Å; V38-L49 HydrophobicContact CG2-CD2 4.35Å; V38-Y58 HydrophobicContact CG1-CD2 3.5Å; V38-Y58 VanDerWaalsContact CG1-CD2 3.5Å; V38-Y58 HydrophobicContact CG1-CE2 3.86Å; V38-Y58 HydrophobicContact CG1-CG 3.9Å; V38-Y58 HydrophobicContact CG2-CD1 4.42Å; V38-Y58 HydrophobicContact CG2-CG 4.29Å; V38-Y65 HydrophobicContact CG1-CD1 3.6Å; V38-Y65 HydrophobicContact CG1-CE1 4Å; V38-Y65 HydrophobicContact CG1-CG 4.49Å
39L97.1Very high96.3Very high53 Ų5373.4 Ų73.428%0.27737%0.37SS..Hα-helixtrans-69.3-26.2179-69.6178.3000113.5F7 V35 Q36 R41 Y65F7-L39 HydrophobicContact CD2-CD2 4.44Å; F7-L39 HydrophobicContact CE2-CD2 4.08Å; F7-L39 HydrophobicContact CE2-CG 4.06Å; V35-L39 HydrophobicContact CG1-CD1 3.72Å; V35-L39 HydrophobicContact CG1-CG 4.34Å; V35-L39 VanDerWaalsContact O-CB 3.31Å; V35-L39 WeakPolarHBondContact O-CB 3.11Å; V35-L39 WeakPolarHBondContact O-CG 3.23Å; V35-L39 PolarHBondContact O-N 2.81Å; Q36-L39 PolarHBondContact O-N 3.04Å; L39-R41 PolarHBondContact O-N 2.91Å; L39-Y65 HydrophobicContact CD2-CD2 3.97Å; L39-Y65 HydrophobicContact CD2-CE1 4.38Å; L39-Y65 HydrophobicContact CD2-CE2 3.61Å
40A96.8Very high96.2Very high85 Ų8575.4 Ų75.470%0.70238%0.381SS*.THydrogen-bonded Turntrans-73.6-13.6175.800000113.5Q36 T37 V38Q36-A40 WeakPolarHBondContact O-CB 3.47Å; Q36-A40 PolarHBondContact O-N 3.38Å; Q36-A40 VanDerWaalsContact O-N 3.07Å; T37-A40 PolarHBondContact O-N 2.99Å; V38-A40 VanDerWaalsContact C-N 3.3Å; V38-A40 PolarHBondContact O-N 2.81Å
41R96.6Very high96.1Very high56 Ų5675.8 Ų75.821%0.21138%0.382CS..SBendtrans-79.3143.8-176-68.4172.87193.5-8.8112.4T37 V38 L39 M45 C46 F48 Y58T37-R41 WeakPolarHBondContact O-CG 3.31Å; V38-R41 WeakPolarHBondContact O-CB 3.46Å; V38-R41 PolarHBondContact O-N 2.86Å; L39-R41 PolarHBondContact O-N 2.91Å; R41-M45 HydrophobicContact CB-SD 3.88Å; R41-M45 HydrophobicContact CG-SD 4.12Å; R41-C46 PolarHBondContact NH2-O 3.44Å; R41-F48 PolarHBondContact NH2-O 2.96Å; R41-Y58 WeakPolarHBondContact CD-OH 3.47Å; R41-Y58 PolarHBondContact NE-OH 2.87Å
42K94.1Very high95.8Very high160 Ų16081.5 Ų81.570%0.69640%0.401SS*.  trans-74.8148.8177.1-60.5-178.8-174.7177.20110.8K44 M45K42-K44 PolarHBondContact O-N 3.19Å; K42-M45 HydrophobicContact CB-CG 4.11Å; K42-M45 HydrophobicContact CB-SD 4.24Å; K42-M45 PolarHBondContact N-SD 2.97Å; K42-M45 VanDerWaalsContact N-SD 3.43Å; K42-M45 WeakPolarHBondContact O-CB 3.46Å; K42-M45 WeakPolarHBondContact O-CG 3.43Å; K42-M45 PolarHBondContact O-N 3.12Å
43P89.4Confident95.6Very high129 Ų12980.7 Ų80.784%0.83841%0.41SS*.THydrogen-bonded Turntrans-58.4-25.2-174.9-28.235.5000116.8
44K90.4Very high95.6Very high212 Ų21278.9 Ų78.992%0.92240%0.402SS*.THydrogen-bonded Turntrans-90.11.8-179.8-64.8-172.9177.7-176.20113.9K42K42-K44 PolarHBondContact O-N 3.19Å
45M95.3Very high95.6Very high85 Ų8580.5 Ų80.542%0.41941%0.409SS..SBendtrans-74.3160178.6-66.3-175.474.900111.4R41 K42R41-M45 HydrophobicContact CB-SD 3.88Å; R41-M45 HydrophobicContact CG-SD 4.12Å; K42-M45 HydrophobicContact CB-CG 4.11Å; K42-M45 HydrophobicContact CB-SD 4.24Å; K42-M45 PolarHBondContact N-SD 2.97Å; K42-M45 VanDerWaalsContact N-SD 3.43Å; K42-M45 WeakPolarHBondContact O-CB 3.46Å; K42-M45 WeakPolarHBondContact O-CG 3.43Å; K42-M45 PolarHBondContact O-N 3.12Å
46C95.3Very high95.6Very high71 Ų7180 Ų8048%0.4841%0.406SS..  trans-55.6143.1175.7-170.50000111.3R41 F48 Y58R41-C46 PolarHBondContact NH2-O 3.44Å; C46-F48 PolarHBondContact O-N 3.19Å; C46-F48 WeakPolarHBondContact SG-CD2 3.45Å; C46-F48 PolarHBondContact SG-N 3.26Å; C46-F48 VanDerWaalsContact SG-N 3.39Å; C46-Y58 WeakPolarHBondContact O-CE1 3.41Å; C46-Y58 PolarHBondContact O-OH 2.96Å
47S96.7Very high95.7Very high28 Ų2874 Ų7420%0.19638%0.378CS..SBendtrans-73.7-3.2174.4-61.10000113Y58S47-Y58 VanDerWaalsContact CB-O 3.28Å; S47-Y58 WeakPolarHBondContact CB-O 3.21Å; S47-Y58 VanDerWaalsContact O-CD1 3.26Å; S47-Y58 WeakPolarHBondContact O-CD1 3.24Å; S47-Y58 PolarHBondContact O-N 2.87Å
48F97.5Very high95.7Very high57 Ų5772.1 Ų72.125%0.2537%0.365CS..EExtended strand (participates in β ladder)trans-114.5145.9178.3-40.8-50000110R41 C46 I56 V57 E76 L77 L80R41-F48 PolarHBondContact NH2-O 2.96Å; C46-F48 PolarHBondContact O-N 3.19Å; C46-F48 WeakPolarHBondContact SG-CD2 3.45Å; C46-F48 PolarHBondContact SG-N 3.26Å; C46-F48 VanDerWaalsContact SG-N 3.39Å; F48-I56 WeakPolarHBondContact CA-O 3.41Å; F48-V57 HydrophobicContact CD1-CB 4.28Å; F48-V57 HydrophobicContact CD1-CG1 3.93Å; F48-V57 HydrophobicContact CD1-CG2 3.92Å; F48-V57 HydrophobicContact CE1-CG1 3.8Å; F48-V57 HydrophobicContact CE1-CG2 4.31Å; F48-E76 HydrophobicContact CD1-CB 3.61Å; F48-E76 HydrophobicContact CD1-CG 4.25Å; F48-E76 HydrophobicContact CD2-CB 4.23Å; F48-E76 HydrophobicContact CE1-CB 3.54Å; F48-E76 HydrophobicContact CE2-CB 4.18Å; F48-E76 HydrophobicContact CG-CB 3.97Å; F48-E76 HydrophobicContact CG-CG 4.25Å; F48-E76 HydrophobicContact CZ-CB 3.85Å; F48-L77 HydrophobicContact CE2-CD2 4.31Å; F48-L77 HydrophobicContact CZ-CD2 3.86Å; F48-L80 HydrophobicContact CZ-CD2 4.48Å
49L95.6Very high95.7Very high19 Ų1976 Ų7610%0.09938%0.381CS..EExtended strand (participates in β ladder)trans-146144.9171.660.4122.1000109.7V38 W51 I56 Y58V38-L49 HydrophobicContact CG2-CD2 4.35Å; L49-W51 HydrophobicContact CD1-CB 3.96Å; L49-I56 HydrophobicContact CD1-CB 3.75Å; L49-I56 HydrophobicContact CD1-CG1 3.76Å; L49-I56 HydrophobicContact CD2-CB 3.84Å; L49-I56 HydrophobicContact CD2-CG2 4.05Å; L49-I56 HydrophobicContact CG-CB 3.63Å; L49-I56 HydrophobicContact CG-CG1 4.19Å; L49-I56 HydrophobicContact CG-CG2 4.38Å; L49-I56 PolarHBondContact N-O 2.7Å; L49-I56 PolarHBondContact O-N 3.45Å; L49-Y58 HydrophobicContact CD2-CD1 3.47Å; L49-Y58 VanDerWaalsContact CD2-CD1 3.47Å; L49-Y58 HydrophobicContact CD2-CE1 3.62Å
50E95.9Very high95.7Very high175 Ų17578.5 Ų78.582%0.81839%0.387SS*.EExtended strand (participates in β ladder)trans-80.7132.3167.5-67.4173.9-174.200108.5
51W95.6Very high95.7Very high21 Ų2177.2 Ų77.28%0.0837%0.365CS..EExtended strand (participates in β ladder)trans-143.5106.9178.1177.975.9000109.1F3 I30 E33 L34 L49 L54 I56F3-W51 HydrophobicContact CZ-CZ3 4.33Å; I30-W51 HydrophobicContact CB-CH2 4.27Å; I30-W51 HydrophobicContact CD1-CH2 4.29Å; I30-W51 HydrophobicContact CG1-CH2 3.89Å; I30-W51 HydrophobicContact CG1-CZ2 4.37Å; I30-W51 HydrophobicContact CG2-CH2 3.6Å; I30-W51 HydrophobicContact CG2-CZ2 4.1Å; I30-W51 HydrophobicContact CG2-CZ3 4.36Å; E33-W51 PolarHBondContact OE1-NE1 3.13Å; L34-W51 HydrophobicContact CD1-CZ3 4.5Å; L34-W51 HydrophobicContact CD2-CB 4.42Å; L34-W51 HydrophobicContact CD2-CD2 3.73Å; L34-W51 HydrophobicContact CD2-CE3 4.38Å; L34-W51 HydrophobicContact CD2-CG 3.73Å; L34-W51 HydrophobicContact CD2-CZ2 4.44Å; L34-W51 HydrophobicContact CG-CD2 4.38Å; L34-W51 HydrophobicContact CG-CZ2 4.28Å; L49-W51 HydrophobicContact CD1-CB 3.96Å; W51-L54 CarbonylContact C-O 3.58Å; W51-L54 HydrophobicContact CE3-CB 4.44Å; W51-L54 HydrophobicContact CE3-CD1 4.41Å; W51-L54 HydrophobicContact CZ3-CD1 4.12Å; W51-L54 PolarHBondContact N-O 3.11Å; W51-L54 PolarHBondContact O-N 3.14Å; W51-L54 VanDerWaalsContact O-N 3.12Å; W51-I56 HydrophobicContact CB-CD1 4.32Å; W51-I56 HydrophobicContact CB-CG1 3.65Å; W51-I56 HydrophobicContact CD2-CD1 4.41Å; W51-I56 HydrophobicContact CE3-CD1 3.91Å; W51-I56 HydrophobicContact CE3-CG1 4.45Å; W51-I56 HydrophobicContact CG-CG1 4.24Å
52R92.8Very high95.6Very high134 Ų13478.7 Ų78.751%0.50639%0.389SS..THydrogen-bonded Turntrans55.9-136.8-171-49.8178.3-178.9176.15.1109E33 L54E33-R52 IonicContact OE1-NE 2.77Å; E33-R52 IonicContact OE1-NH2 2.78Å; E33-R52 IonicContact OE2-CZ 3.21Å; E33-R52 IonicContact OE2-NH2 2.85Å; E33-R52 PolarHBondContact OE2-NH2 3.01Å; R52-L54 PolarHBondContact O-N 3.41Å
53D94Very high95.6Very high155 Ų15573 Ų7383%0.82937%0.369SS*.THydrogen-bonded Turntrans-87.117.6178.4-47-54.4000112.8
54L96.8Very high96Very high22 Ų2267.3 Ų67.312%0.11533%0.332CS..EExtended strand (participates in β ladder)trans-124.7161.1-179.8-60.4177.7000111.2Q2 W51 R52 A69 E71Q2-L54 HydrophobicContact CG-CD1 4.47Å; Q2-L54 HydrophobicContact CG-CD2 4.43Å; W51-L54 CarbonylContact C-O 3.58Å; W51-L54 HydrophobicContact CE3-CB 4.44Å; W51-L54 HydrophobicContact CE3-CD1 4.41Å; W51-L54 HydrophobicContact CZ3-CD1 4.12Å; W51-L54 PolarHBondContact N-O 3.11Å; W51-L54 PolarHBondContact O-N 3.14Å; W51-L54 VanDerWaalsContact O-N 3.12Å; R52-L54 PolarHBondContact O-N 3.41Å; L54-A69 HydrophobicContact CD1-CB 4.23Å; L54-E71 HydrophobicContact CD2-CG 4.34Å
55K97.8Very high96.4Very high35 Ų3558.4 Ų58.415%0.15229%0.292CS..EExtended strand (participates in β ladder)trans-105.3133.9169.1-64.6170.1174.5170.30109.3A69 I70 D72 E76K55-A69 WeakPolarHBondContact O-CA 3.44Å; K55-I70 HydrophobicContact CB-CD1 4.41Å; K55-I70 HydrophobicContact CB-CG1 3.87Å; K55-I70 PolarHBondContact N-O 3.4Å; K55-I70 WeakPolarHBondContact O-CG1 3.07Å; K55-I70 PolarHBondContact O-N 3.12Å; K55-D72 WeakPolarHBondContact CE-OD1 3.47Å; K55-D72 PolarHBondContact NZ-O 3.29Å; K55-D72 IonicContact NZ-OD1 2.85Å; K55-D72 PolarHBondContact NZ-OD1 2.98Å; K55-D72 VanDerWaalsContact NZ-OD1 3.11Å; K55-E76 HydrophobicContact CD-CG 4.12Å; K55-E76 WeakPolarHBondContact CD-OE1 3.35Å; K55-E76 VanDerWaalsContact CE-OE1 3.25Å; K55-E76 WeakPolarHBondContact CE-OE1 3.31Å; K55-E76 IonicContact NZ-OE1 3.93Å; K55-E76 PolarHBondContact NZ-OE1 3.49Å
56I98.3Very high96.5Very high0 Ų054.5 Ų54.50%027%0.273CS..EExtended strand (participates in β ladder)trans-104.6125.3173.1-45.7-64.8000109.1F3 L34 F48 L49 W51 C67 C68 A69F3-I56 HydrophobicContact CZ-CD1 4.4Å; L34-I56 HydrophobicContact CD1-CD1 3.97Å; L34-I56 HydrophobicContact CD2-CD1 4.12Å; L34-I56 HydrophobicContact CD2-CG1 3.84Å; F48-I56 WeakPolarHBondContact CA-O 3.41Å; L49-I56 HydrophobicContact CD1-CB 3.75Å; L49-I56 HydrophobicContact CD1-CG1 3.76Å; L49-I56 HydrophobicContact CD2-CB 3.84Å; L49-I56 HydrophobicContact CD2-CG2 4.05Å; L49-I56 HydrophobicContact CG-CB 3.63Å; L49-I56 HydrophobicContact CG-CG1 4.19Å; L49-I56 HydrophobicContact CG-CG2 4.38Å; L49-I56 PolarHBondContact N-O 2.7Å; L49-I56 PolarHBondContact O-N 3.45Å; W51-I56 HydrophobicContact CB-CD1 4.32Å; W51-I56 HydrophobicContact CB-CG1 3.65Å; W51-I56 HydrophobicContact CD2-CD1 4.41Å; W51-I56 HydrophobicContact CE3-CD1 3.91Å; W51-I56 HydrophobicContact CE3-CG1 4.45Å; W51-I56 HydrophobicContact CG-CG1 4.24Å; I56-C67 WeakPolarHBondContact CG2-SG 3.4Å; I56-C68 CarbonylContact C-O 3.49Å; I56-C68 VanDerWaalsContact CA-O 3.31Å; I56-C68 WeakPolarHBondContact CA-O 3.48Å; I56-A69 HydrophobicContact CD1-CB 3.45Å; I56-A69 VanDerWaalsContact CD1-CB 3.45Å
57V98.5Very high96.7Very high0 Ų051.1 Ų51.10%025%0.25CS..EExtended strand (participates in β ladder)trans-106.4122.2174.1-178.10000107.6F48 C67 C68 I70 E76 T79 L80 I83F48-V57 HydrophobicContact CD1-CB 4.28Å; F48-V57 HydrophobicContact CD1-CG1 3.93Å; F48-V57 HydrophobicContact CD1-CG2 3.92Å; F48-V57 HydrophobicContact CE1-CG1 3.8Å; F48-V57 HydrophobicContact CE1-CG2 4.31Å; V57-C67 CarbonylContact O-C 3.58Å; V57-C67 WeakPolarHBondContact O-CA 3.45Å; V57-C68 PolarHBondContact N-O 2.87Å; V57-C68 PolarHBondContact O-N 3.5Å; V57-I70 HydrophobicContact CG2-CD1 3.67Å; V57-I70 HydrophobicContact CG2-CG1 4.19Å; V57-E76 HydrophobicContact CG2-CB 4.01Å; V57-E76 HydrophobicContact CG2-CG 4.38Å; V57-T79 HydrophobicContact CB-CG2 3.8Å; V57-T79 HydrophobicContact CG1-CG2 4.07Å; V57-T79 HydrophobicContact CG2-CG2 3.92Å; V57-L80 HydrophobicContact CG1-CB 4.15Å; V57-L80 HydrophobicContact CG1-CD1 3.92Å; V57-I83 HydrophobicContact CG1-CD1 4.13Å
58Y98.3Very high96.7Very high17 Ų1749.8 Ų49.87%0.06724%0.241CC..EExtended strand (participates in β ladder)trans-135.1147.5179.578.6-81000112.9V38 R41 C46 S47 L49 Y65 F66V38-Y58 HydrophobicContact CG1-CD2 3.5Å; V38-Y58 VanDerWaalsContact CG1-CD2 3.5Å; V38-Y58 HydrophobicContact CG1-CE2 3.86Å; V38-Y58 HydrophobicContact CG1-CG 3.9Å; V38-Y58 HydrophobicContact CG2-CD1 4.42Å; V38-Y58 HydrophobicContact CG2-CG 4.29Å; R41-Y58 WeakPolarHBondContact CD-OH 3.47Å; R41-Y58 PolarHBondContact NE-OH 2.87Å; C46-Y58 WeakPolarHBondContact O-CE1 3.41Å; C46-Y58 PolarHBondContact O-OH 2.96Å; S47-Y58 VanDerWaalsContact CB-O 3.28Å; S47-Y58 WeakPolarHBondContact CB-O 3.21Å; S47-Y58 VanDerWaalsContact O-CD1 3.26Å; S47-Y58 WeakPolarHBondContact O-CD1 3.24Å; S47-Y58 PolarHBondContact O-N 2.87Å; L49-Y58 HydrophobicContact CD2-CD1 3.47Å; L49-Y58 VanDerWaalsContact CD2-CD1 3.47Å; L49-Y58 HydrophobicContact CD2-CE1 3.62Å; Y58-Y65 HydrophobicContact CD2-CD1 4.31Å; Y58-F66 CarbonylContact C-O 3.56Å; Y58-F66 WeakPolarHBondContact CA-O 3.44Å; Y58-F66 WeakPolarHBondContact CB-O 3.37Å
59K97.9Very high96.8Very high81 Ų8147.1 Ų47.135%0.35223%0.229SC..EExtended strand (participates in β ladder)trans-141.4140.2174.7-169.566.9172.3-1670110.3Y61 F66 L80 I83K59-Y61 HydrophobicContact CB-CD2 4.41Å; K59-Y61 HydrophobicContact CB-CE2 3.81Å; K59-Y61 HydrophobicContact CG-CD2 4.04Å; K59-Y61 HydrophobicContact CG-CE2 3.38Å; K59-F66 PolarHBondContact N-O 2.67Å; K59-F66 PolarHBondContact O-N 2.89Å; K59-L80 HydrophobicContact CB-CD1 3.95Å; K59-L80 HydrophobicContact CD-CD1 4.35Å; K59-L80 HydrophobicContact CG-CD1 4.43Å; K59-I83 HydrophobicContact CB-CG2 4.25Å
60R97.3Very high96.9Very high107 Ų10746.2 Ų46.240%0.40423%0.225SC..EExtended strand (participates in β ladder)trans-97.4127.8174.1-175-172.7168.9-160.5-11.5110.2A62 L64 Y65R60-A62 VanDerWaalsContact CZ-O 3.3Å; R60-A62 PolarHBondContact NE-O 3.16Å; R60-A62 PolarHBondContact NH2-O 2.85Å; R60-L64 CarbonylContact C-O 3.5Å; R60-L64 WeakPolarHBondContact CA-O 3.09Å; R60-Y65 HydrophobicContact CB-CD1 4.1Å; R60-Y65 HydrophobicContact CB-CE1 3.99Å; R60-Y65 HydrophobicContact CG-CD1 4.41Å; R60-Y65 HydrophobicContact CG-CD2 4.28Å; R60-Y65 HydrophobicContact CG-CE1 4.17Å; R60-Y65 HydrophobicContact CG-CE2 3.99Å; R60-Y65 HydrophobicContact CG-CG 4.48Å
61Y96.6Very high96.9Very high57 Ų5741.5 Ų41.522%0.22420%0.202CC..EExtended strand (participates in β ladder)trans-120.5115169.6-67.9-90.5000108.4K59 S63 L64 F66 I83 H84 V87K59-Y61 HydrophobicContact CB-CD2 4.41Å; K59-Y61 HydrophobicContact CB-CE2 3.81Å; K59-Y61 HydrophobicContact CG-CD2 4.04Å; K59-Y61 HydrophobicContact CG-CE2 3.38Å; Y61-S63 PolarHBondContact O-N 3.01Å; Y61-L64 PolarHBondContact N-O 3.3Å; Y61-L64 PolarHBondContact O-N 2.85Å; Y61-F66 AromaticContact CD2-CD2 3.8Å; Y61-F66 HydrophobicContact CD2-CD2 3.8Å; Y61-F66 HydrophobicContact CD2-CE2 4.1Å; Y61-I83 HydrophobicContact CE2-CG2 3.89Å; Y61-H84 AromaticContact CE1-ND1 3.79Å; Y61-H84 AromaticContact CZ-ND1 3.73Å; Y61-H84 WeakPolarHBondContact OH-CA 3.41Å; Y61-H84 WeakPolarHBondContact OH-CB 3.49Å; Y61-H84 PolarHBondContact OH-ND1 2.74Å; Y61-V87 HydrophobicContact CD1-CG1 4.07Å; Y61-V87 HydrophobicContact CD1-CG2 4.49Å; Y61-V87 HydrophobicContact CD2-CG2 3.79Å; Y61-V87 HydrophobicContact CE1-CG1 4.3Å; Y61-V87 HydrophobicContact CE2-CG2 3.83Å; Y61-V87 HydrophobicContact CG-CG1 4.3Å; Y61-V87 HydrophobicContact CG-CG2 4.14Å
62A94.3Very high96.9Very high87 Ų8745.8 Ų45.872%0.71923%0.227SC*.THydrogen-bonded Turntrans50.4-110.5-173.900000113.6R60R60-A62 VanDerWaalsContact CZ-O 3.3Å; R60-A62 PolarHBondContact NE-O 3.16Å; R60-A62 PolarHBondContact NH2-O 2.85Å
63S93.7Very high97Very high40 Ų4046 Ų4628%0.2823%0.234SC..THydrogen-bonded Turntrans-94.7-717859.50000114.3S8 R9 Y61 E99S8-S63 CarbonylContact C-O 3.53Å; R9-S63 PolarHBondContact N-O 2.88Å; Y61-S63 PolarHBondContact O-N 3.01Å; S63-E99 WeakPolarHBondContact CB-OE2 3.27Å; S63-E99 PolarHBondContact OG-OE2 2.86Å
64L97.1Very high97Very high11 Ų1140.4 Ų40.46%0.05820%0.204CC..EExtended strand (participates in β ladder)trans-103.1142.2-175.4-73.2171.4000112.4R14 R60 Y61 F66 E99 I102R14-L64 HydrophobicContact CG-CD2 3.84Å; R60-L64 CarbonylContact C-O 3.5Å; R60-L64 WeakPolarHBondContact CA-O 3.09Å; Y61-L64 PolarHBondContact N-O 3.3Å; Y61-L64 PolarHBondContact O-N 2.85Å; L64-F66 HydrophobicContact CB-CD2 4.42Å; L64-F66 HydrophobicContact CB-CE2 3.85Å; L64-F66 HydrophobicContact CD1-CE2 4.46Å; L64-E99 HydrophobicContact CD1-CB 4Å; L64-E99 HydrophobicContact CD1-CG 4.38Å; L64-E99 HydrophobicContact CD2-CB 4.31Å; L64-E99 HydrophobicContact CD2-CG 3.87Å; L64-E99 HydrophobicContact CG-CB 4.02Å; L64-E99 HydrophobicContact CG-CG 4.15Å; L64-I102 HydrophobicContact CD1-CD1 3.66Å
65Y98.3Very high97Very high24 Ų2443 Ų439%0.09422%0.218CC..EExtended strand (participates in β ladder)trans-108.7129.5169.9-72.3-103.7000108.4L6 F7 R9 V38 L39 Y58 R60L6-Y65 VanDerWaalsContact CA-O 3.27Å; L6-Y65 WeakPolarHBondContact CA-O 3.37Å; F7-Y65 HydrophobicContact CD2-CD2 4.41Å; F7-Y65 HydrophobicContact CD2-CG 4.26Å; F7-Y65 VanDerWaalsContact CE2-CB 3.41Å; F7-Y65 HydrophobicContact CE2-CD1 4.29Å; F7-Y65 HydrophobicContact CE2-CD2 4.21Å; F7-Y65 AromaticContact CE2-CG 3.74Å; F7-Y65 HydrophobicContact CE2-CG 3.74Å; F7-Y65 HydrophobicContact CZ-CG 4.24Å; F7-Y65 PolarHBondContact N-O 3.35Å; F7-Y65 PolarHBondContact O-N 3.36Å; R9-Y65 HydrophobicContact CB-CE2 4.38Å; V38-Y65 HydrophobicContact CG1-CD1 3.6Å; V38-Y65 HydrophobicContact CG1-CE1 4Å; V38-Y65 HydrophobicContact CG1-CG 4.49Å; L39-Y65 HydrophobicContact CD2-CD2 3.97Å; L39-Y65 HydrophobicContact CD2-CE1 4.38Å; L39-Y65 HydrophobicContact CD2-CE2 3.61Å; Y58-Y65 HydrophobicContact CD2-CD1 4.31Å; R60-Y65 HydrophobicContact CB-CD1 4.1Å; R60-Y65 HydrophobicContact CB-CE1 3.99Å; R60-Y65 HydrophobicContact CG-CD1 4.41Å; R60-Y65 HydrophobicContact CG-CD2 4.28Å; R60-Y65 HydrophobicContact CG-CE1 4.17Å; R60-Y65 HydrophobicContact CG-CE2 3.99Å; R60-Y65 HydrophobicContact CG-CG 4.48Å
66F98.6Very high97Very high4 Ų443.8 Ų43.82%0.01822%0.222CC..EExtended strand (participates in β ladder)trans-106.8131.3171.6-68.4-109.6000106.9M4 L6 Y58 K59 Y61 L64 I83 Y86 V87 L90M4-F66 HydrophobicContact CE-CD1 3.78Å; L6-F66 HydrophobicContact CD1-CD1 3.81Å; L6-F66 HydrophobicContact CD1-CE1 4.1Å; L6-F66 HydrophobicContact CD2-CD1 4.04Å; L6-F66 HydrophobicContact CD2-CE1 3.48Å; L6-F66 VanDerWaalsContact CD2-CE1 3.48Å; L6-F66 HydrophobicContact CD2-CZ 3.85Å; L6-F66 HydrophobicContact CG-CD1 3.67Å; L6-F66 HydrophobicContact CG-CE1 3.65Å; L6-F66 HydrophobicContact CG-CG 4.2Å; L6-F66 HydrophobicContact CG-CZ 4.16Å; Y58-F66 CarbonylContact C-O 3.56Å; Y58-F66 WeakPolarHBondContact CA-O 3.44Å; Y58-F66 WeakPolarHBondContact CB-O 3.37Å; K59-F66 PolarHBondContact N-O 2.67Å; K59-F66 PolarHBondContact O-N 2.89Å; Y61-F66 AromaticContact CD2-CD2 3.8Å; Y61-F66 HydrophobicContact CD2-CD2 3.8Å; Y61-F66 HydrophobicContact CD2-CE2 4.1Å; L64-F66 HydrophobicContact CB-CD2 4.42Å; L64-F66 HydrophobicContact CB-CE2 3.85Å; L64-F66 HydrophobicContact CD1-CE2 4.46Å; F66-I83 HydrophobicContact CB-CD1 4.48Å; F66-I83 HydrophobicContact CB-CG2 3.45Å; F66-I83 VanDerWaalsContact CB-CG2 3.45Å; F66-I83 HydrophobicContact CD1-CG2 4.22Å; F66-I83 HydrophobicContact CG-CG2 3.94Å; F66-Y86 HydrophobicContact CD1-CD1 4.17Å; F66-Y86 AromaticContact CE1-CD1 3.79Å; F66-Y86 HydrophobicContact CE1-CD1 3.79Å; F66-Y86 AromaticContact CE1-CE1 3.99Å; F66-Y86 HydrophobicContact CE1-CE1 3.99Å; F66-V87 HydrophobicContact CD1-CG2 4.18Å; F66-V87 HydrophobicContact CD2-CG2 4.3Å; F66-V87 HydrophobicContact CE1-CG2 3.72Å; F66-V87 HydrophobicContact CE2-CG2 3.87Å; F66-V87 HydrophobicContact CG-CG2 4.47Å; F66-V87 HydrophobicContact CZ-CG2 3.57Å; F66-L90 HydrophobicContact CE1-CD1 4.3Å; F66-L90 HydrophobicContact CZ-CD1 4.39Å
67C98.4Very high97Very high0 Ų049 Ų490%025%0.249CC..EExtended strand (participates in β ladder)trans-143.4119-169.6178.90000109.3M4 L5 F7 I56 V57M4-C67 CarbonylContact C-O 3.52Å; M4-C67 WeakPolarHBondContact CA-O 3.45Å; L5-C67 HydrophobicContact CB-CB 4.34Å; L5-C67 PolarHBondContact N-O 2.85Å; L5-C67 PolarHBondContact O-N 3.38Å; F7-C67 HydrophobicContact CE1-CB 3.73Å; F7-C67 HydrophobicContact CZ-CB 4.4Å; I56-C67 WeakPolarHBondContact CG2-SG 3.4Å; V57-C67 CarbonylContact O-C 3.58Å; V57-C67 WeakPolarHBondContact O-CA 3.45Å
68C98.5Very high96.9Very high0 Ų053.9 Ų53.90%027%0.274CS..EExtended strand (participates in β ladder)trans-116.7141.7178.1-61.60000110M1 F3 I56 V57 T79 I83M1-C68 HydrophobicContact CE-CB 4.27Å; M1-C68 HydrophobicContact CG-CB 4.3Å; M1-C68 HydrophobicContact SD-CB 3.86Å; F3-C68 WeakPolarHBondContact O-CA 3.42Å; I56-C68 CarbonylContact C-O 3.49Å; I56-C68 VanDerWaalsContact CA-O 3.31Å; I56-C68 WeakPolarHBondContact CA-O 3.48Å; V57-C68 PolarHBondContact N-O 2.87Å; V57-C68 PolarHBondContact O-N 3.5Å; C68-T79 HydrophobicContact CB-CG2 3.77Å; C68-I83 HydrophobicContact CB-CD1 4.45Å
69A98.3Very high96.9Very high0 Ų053.4 Ų53.40%027%0.274CS..EExtended strand (participates in β ladder)trans-103.4127.6168.100000110.2M1 Q2 F3 L54 K55 I56M1-A69 VanDerWaalsContact CG-O 3.31Å; M1-A69 WeakPolarHBondContact CG-O 3.46Å; Q2-A69 HydrophobicContact CB-CB 4.5Å; Q2-A69 PolarHBondContact N-O 3.46Å; F3-A69 HydrophobicContact CD1-CB 3.82Å; F3-A69 HydrophobicContact CD2-CB 4Å; F3-A69 HydrophobicContact CE1-CB 3.38Å; F3-A69 HydrophobicContact CE2-CB 3.58Å; F3-A69 HydrophobicContact CG-CB 4.12Å; F3-A69 HydrophobicContact CZ-CB 3.26Å; F3-A69 PolarHBondContact O-N 3.36Å; L54-A69 HydrophobicContact CD1-CB 4.23Å; K55-A69 WeakPolarHBondContact O-CA 3.44Å; I56-A69 HydrophobicContact CD1-CB 3.45Å; I56-A69 VanDerWaalsContact CD1-CB 3.45Å
70I98Very high96.9Very high1 Ų151.2 Ų51.21%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-127.7161.8-178.364.3172.6000110.4M1 K55 V57 D74 E76 T79M1-I70 HydrophobicContact CB-CG2 4.25Å; M1-I70 HydrophobicContact CG-CG2 4.08Å; K55-I70 HydrophobicContact CB-CD1 4.41Å; K55-I70 HydrophobicContact CB-CG1 3.87Å; K55-I70 PolarHBondContact N-O 3.4Å; K55-I70 WeakPolarHBondContact O-CG1 3.07Å; K55-I70 PolarHBondContact O-N 3.12Å; V57-I70 HydrophobicContact CG2-CD1 3.67Å; V57-I70 HydrophobicContact CG2-CG1 4.19Å; I70-D74 HydrophobicContact CB-CB 3.84Å; I70-D74 HydrophobicContact CD1-CB 3.86Å; I70-D74 HydrophobicContact CG1-CB 4.16Å; I70-E76 HydrophobicContact CD1-CB 4.45Å; I70-E76 HydrophobicContact CD1-CG 4.14Å; I70-T79 HydrophobicContact CG2-CG2 3.74Å
71E96.8Very high96.9Very high75 Ų7551.6 Ų51.635%0.3527%0.272SS..  trans-81.5166.1-179.6-57.8-172.1168.900110.5L54 Q73 D74L54-E71 HydrophobicContact CD2-CG 4.34Å; E71-Q73 VanDerWaalsContact C-N 3.25Å; E71-Q73 VanDerWaalsContact CB-OE1 3.3Å; E71-Q73 PolarHBondContact O-N 2.89Å; E71-Q73 PolarHBondContact OE2-NE2 2.96Å; E71-D74 PolarHBondContact N-OD2 2.77Å; E71-D74 WeakPolarHBondContact O-CB 3.48Å; E71-D74 PolarHBondContact O-N 3.48Å; E71-D74 VanDerWaalsContact O-N 3.12Å
72D94.1Very high97Very high112 Ų11250 Ų5060%0.59927%0.267SS*.THydrogen-bonded Turntrans-64.2-31.7-172.7-172.243.2000112.8K55 D74K55-D72 WeakPolarHBondContact CE-OD1 3.47Å; K55-D72 PolarHBondContact NZ-O 3.29Å; K55-D72 IonicContact NZ-OD1 2.85Å; K55-D72 PolarHBondContact NZ-OD1 2.98Å; K55-D72 VanDerWaalsContact NZ-OD1 3.11Å; D72-D74 VanDerWaalsContact C-N 3.31Å; D72-D74 PolarHBondContact O-N 3.25Å
73Q94.7Very high97.2Very high137 Ų13745.9 Ų45.964%0.6423%0.233SC*.THydrogen-bonded Turntrans-76.6-13.8177.573.2-82.58.300114.4E71E71-Q73 VanDerWaalsContact C-N 3.25Å; E71-Q73 VanDerWaalsContact CB-OE1 3.3Å; E71-Q73 PolarHBondContact O-N 2.89Å; E71-Q73 PolarHBondContact OE2-NE2 2.96Å
74D96Very high97.4Very high38 Ų3847.3 Ų47.320%0.20324%0.235CC..SBendtrans-77.4148.8-176.9-69.5-30.9000111.2I70 E71 D72I70-D74 HydrophobicContact CB-CB 3.84Å; I70-D74 HydrophobicContact CD1-CB 3.86Å; I70-D74 HydrophobicContact CG1-CB 4.16Å; E71-D74 PolarHBondContact N-OD2 2.77Å; E71-D74 WeakPolarHBondContact O-CB 3.48Å; E71-D74 PolarHBondContact O-N 3.48Å; E71-D74 VanDerWaalsContact O-N 3.12Å; D72-D74 VanDerWaalsContact C-N 3.31Å; D72-D74 PolarHBondContact O-N 3.25Å
75N96.4Very high97.4Very high77 Ų7750 Ų5041%0.41224%0.244SC..  trans-84.2120.7178.4-171.3-51.4000111.3L77 I78 T79N75-L77 VanDerWaalsContact C-N 3.34Å; N75-L77 PolarHBondContact O-N 3.38Å; N75-L77 WeakPolarHBondContact OD1-CA 3.46Å; N75-L77 WeakPolarHBondContact OD1-CB 3.4Å; N75-L77 PolarHBondContact OD1-N 3.33Å; N75-I78 HydrophobicContact CB-CB 4.12Å; N75-I78 HydrophobicContact CB-CD1 3.81Å; N75-I78 HydrophobicContact CB-CG1 3.9Å; N75-I78 PolarHBondContact O-N 3.11Å; N75-I78 PolarHBondContact OD1-N 3.11Å; N75-T79 PolarHBondContact O-N 2.79Å; N75-T79 VanDerWaalsContact O-N 3.14Å; N75-T79 PolarHBondContact O-OG1 3.48Å; N75-T79 VanDerWaalsContact O-OG1 3.11Å
76E97.6Very high97.4Very high51 Ų5148.9 Ų48.924%0.23824%0.24CC..Hα-helixtrans-67.2-34.3-176.8-5484.2166.400112.4F48 K55 V57 I70 T79 L80F48-E76 HydrophobicContact CD1-CB 3.61Å; F48-E76 HydrophobicContact CD1-CG 4.25Å; F48-E76 HydrophobicContact CD2-CB 4.23Å; F48-E76 HydrophobicContact CE1-CB 3.54Å; F48-E76 HydrophobicContact CE2-CB 4.18Å; F48-E76 HydrophobicContact CG-CB 3.97Å; F48-E76 HydrophobicContact CG-CG 4.25Å; F48-E76 HydrophobicContact CZ-CB 3.85Å; K55-E76 HydrophobicContact CD-CG 4.12Å; K55-E76 WeakPolarHBondContact CD-OE1 3.35Å; K55-E76 VanDerWaalsContact CE-OE1 3.25Å; K55-E76 WeakPolarHBondContact CE-OE1 3.31Å; K55-E76 IonicContact NZ-OE1 3.93Å; K55-E76 PolarHBondContact NZ-OE1 3.49Å; V57-E76 HydrophobicContact CG2-CB 4.01Å; V57-E76 HydrophobicContact CG2-CG 4.38Å; I70-E76 HydrophobicContact CD1-CB 4.45Å; I70-E76 HydrophobicContact CD1-CG 4.14Å; E76-T79 PolarHBondContact O-N 3.38Å; E76-L80 PolarHBondContact O-N 3Å
77L97.9Very high97.3Very high110 Ų11049.7 Ų49.758%0.57625%0.245SC*.Hα-helixtrans-71.2-39.8179.2-63.2170.5000111.5F48 N75 T79 L80 E81F48-L77 HydrophobicContact CE2-CD2 4.31Å; F48-L77 HydrophobicContact CZ-CD2 3.86Å; N75-L77 VanDerWaalsContact C-N 3.34Å; N75-L77 PolarHBondContact O-N 3.38Å; N75-L77 WeakPolarHBondContact OD1-CA 3.46Å; N75-L77 WeakPolarHBondContact OD1-CB 3.4Å; N75-L77 PolarHBondContact OD1-N 3.33Å; L77-T79 VanDerWaalsContact C-N 3.28Å; L77-T79 PolarHBondContact O-N 2.98Å; L77-L80 WeakPolarHBondContact O-CB 3.31Å; L77-L80 PolarHBondContact O-N 3.48Å; L77-E81 PolarHBondContact O-N 2.77Å
78I97Very high97.3Very high102 Ų10252.4 Ų52.452%0.52326%0.258SS..Hα-helixtrans-62.8-40.7174.4-63.3-179.8000110N75 L80 E81 I82N75-I78 HydrophobicContact CB-CB 4.12Å; N75-I78 HydrophobicContact CB-CD1 3.81Å; N75-I78 HydrophobicContact CB-CG1 3.9Å; N75-I78 PolarHBondContact O-N 3.11Å; N75-I78 PolarHBondContact OD1-N 3.11Å; I78-L80 VanDerWaalsContact C-N 3.31Å; I78-L80 PolarHBondContact O-N 2.83Å; I78-E81 WeakPolarHBondContact O-CB 3.23Å; I78-E81 PolarHBondContact O-N 3.33Å; I78-I82 HydrophobicContact CG2-CD1 4.3Å; I78-I82 WeakPolarHBondContact O-CG1 3.28Å; I78-I82 PolarHBondContact O-N 3.49Å
79T98Very high97.2Very high8 Ų852.5 Ų52.55%0.04926%0.258CS..Hα-helixtrans-64.6-36.9175.6-57.90000112.1M1 V57 C68 I70 N75 E76 L77 E81 I82 I83M1-T79 HydrophobicContact CE-CG2 4.32Å; V57-T79 HydrophobicContact CB-CG2 3.8Å; V57-T79 HydrophobicContact CG1-CG2 4.07Å; V57-T79 HydrophobicContact CG2-CG2 3.92Å; C68-T79 HydrophobicContact CB-CG2 3.77Å; I70-T79 HydrophobicContact CG2-CG2 3.74Å; N75-T79 PolarHBondContact O-N 2.79Å; N75-T79 VanDerWaalsContact O-N 3.14Å; N75-T79 PolarHBondContact O-OG1 3.48Å; N75-T79 VanDerWaalsContact O-OG1 3.11Å; E76-T79 PolarHBondContact O-N 3.38Å; L77-T79 VanDerWaalsContact C-N 3.28Å; L77-T79 PolarHBondContact O-N 2.98Å; T79-E81 VanDerWaalsContact C-N 3.32Å; T79-I82 WeakPolarHBondContact O-CB 3.06Å; T79-I82 PolarHBondContact O-N 3.22Å; T79-I83 WeakPolarHBondContact O-CG1 3.21Å; T79-I83 PolarHBondContact O-N 3.28Å
80L97.9Very high97.2Very high34 Ų3452.5 Ų52.518%0.17826%0.258CS..Hα-helixtrans-64.4-38.9174.4-164.368.7000111.7F48 V57 K59 E76 L77 I78 I83 H84F48-L80 HydrophobicContact CZ-CD2 4.48Å; V57-L80 HydrophobicContact CG1-CB 4.15Å; V57-L80 HydrophobicContact CG1-CD1 3.92Å; K59-L80 HydrophobicContact CB-CD1 3.95Å; K59-L80 HydrophobicContact CD-CD1 4.35Å; K59-L80 HydrophobicContact CG-CD1 4.43Å; E76-L80 PolarHBondContact O-N 3Å; L77-L80 WeakPolarHBondContact O-CB 3.31Å; L77-L80 PolarHBondContact O-N 3.48Å; I78-L80 VanDerWaalsContact C-N 3.31Å; I78-L80 PolarHBondContact O-N 2.83Å; L80-I83 PolarHBondContact O-N 2.99Å; L80-H84 PolarHBondContact O-N 2.78Å
81E97.6Very high97.1Very high116 Ų11656 Ų5654%0.54228%0.277SS..Hα-helixtrans-66.2-37.7172.3-75.6-60.913600112.3L77 I78 T79 I83 H84 R85L77-E81 PolarHBondContact O-N 2.77Å; I78-E81 WeakPolarHBondContact O-CB 3.23Å; I78-E81 PolarHBondContact O-N 3.33Å; T79-E81 VanDerWaalsContact C-N 3.32Å; E81-I83 VanDerWaalsContact C-N 3.34Å; E81-I83 PolarHBondContact O-N 3Å; E81-H84 PolarHBondContact O-N 2.63Å; E81-R85 VanDerWaalsContact O-CB 3.28Å; E81-R85 WeakPolarHBondContact O-CB 3.29Å; E81-R85 PolarHBondContact O-N 3.11Å
82I97.9Very high97.1Very high24 Ų2459.7 Ų59.712%0.12329%0.292CS..Hα-helixtrans-59.7-45.8172.7-73.6168.6000110.6M1 I78 T79 H84 R85 Y86 F116 L117M1-I82 HydrophobicContact CE-CG2 4.05Å; I78-I82 HydrophobicContact CG2-CD1 4.3Å; I78-I82 WeakPolarHBondContact O-CG1 3.28Å; I78-I82 PolarHBondContact O-N 3.49Å; T79-I82 WeakPolarHBondContact O-CB 3.06Å; T79-I82 PolarHBondContact O-N 3.22Å; I82-H84 VanDerWaalsContact C-N 3.34Å; I82-H84 PolarHBondContact O-N 2.69Å; I82-R85 PolarHBondContact O-N 3.19Å; I82-Y86 PolarHBondContact O-N 3.4Å; I82-F116 HydrophobicContact CB-CZ 4.43Å; I82-F116 HydrophobicContact CG1-CZ 4.46Å; I82-F116 HydrophobicContact CG2-CE1 3.78Å; I82-F116 HydrophobicContact CG2-CZ 4Å; I82-F116 WeakPolarHBondContact O-CE1 3.37Å; I82-L117 HydrophobicContact CG2-CD1 3.96Å; I82-L117 HydrophobicContact CG2-CD2 3.96Å; I82-L117 HydrophobicContact CG2-CG 4.49Å
83I98.2Very high97.2Very high0 Ų057.6 Ų57.60%028%0.276CS..Hα-helixtrans-59.6-47.4175-68.9171.1000110.3M4 V57 K59 Y61 F66 C68 T79 L80 E81 R85 Y86 V87M4-I83 HydrophobicContact CE-CG1 4.42Å; V57-I83 HydrophobicContact CG1-CD1 4.13Å; K59-I83 HydrophobicContact CB-CG2 4.25Å; Y61-I83 HydrophobicContact CE2-CG2 3.89Å; F66-I83 HydrophobicContact CB-CD1 4.48Å; F66-I83 HydrophobicContact CB-CG2 3.45Å; F66-I83 VanDerWaalsContact CB-CG2 3.45Å; F66-I83 HydrophobicContact CD1-CG2 4.22Å; F66-I83 HydrophobicContact CG-CG2 3.94Å; C68-I83 HydrophobicContact CB-CD1 4.45Å; T79-I83 WeakPolarHBondContact O-CG1 3.21Å; T79-I83 PolarHBondContact O-N 3.28Å; L80-I83 PolarHBondContact O-N 2.99Å; E81-I83 VanDerWaalsContact C-N 3.34Å; E81-I83 PolarHBondContact O-N 3Å; I83-R85 PolarHBondContact O-N 3.27Å; I83-Y86 PolarHBondContact O-N 2.77Å; I83-V87 WeakPolarHBondContact O-CG2 3.35Å; I83-V87 PolarHBondContact O-N 3.41Å; I83-V87 VanDerWaalsContact O-N 3.11Å
84H97.7Very high97.2Very high70 Ų7053.1 Ų53.132%0.32425%0.254SS..Hα-helixtrans-61-45.7-180-170.759.5000111.6Y61 L80 E81 I82 Y86 V87 E88Y61-H84 AromaticContact CE1-ND1 3.79Å; Y61-H84 AromaticContact CZ-ND1 3.73Å; Y61-H84 WeakPolarHBondContact OH-CA 3.41Å; Y61-H84 WeakPolarHBondContact OH-CB 3.49Å; Y61-H84 PolarHBondContact OH-ND1 2.74Å; L80-H84 PolarHBondContact O-N 2.78Å; E81-H84 PolarHBondContact O-N 2.63Å; I82-H84 VanDerWaalsContact C-N 3.34Å; I82-H84 PolarHBondContact O-N 2.69Å; H84-Y86 VanDerWaalsContact C-N 3.32Å; H84-Y86 PolarHBondContact O-N 3.47Å; H84-V87 WeakPolarHBondContact O-CB 3.3Å; H84-V87 PolarHBondContact O-N 2.79Å; H84-V87 VanDerWaalsContact O-N 3.11Å; H84-E88 WeakPolarHBondContact O-CG 3.45Å; H84-E88 PolarHBondContact O-N 3.02Å
85R97.6Very high97Very high68 Ų6853.8 Ų53.826%0.25727%0.271SS..Hα-helixtrans-58.5-43177.5179.654.960.378.97.5112.2E81 I82 I83 V87 E88 L89 F116 T125E81-R85 VanDerWaalsContact O-CB 3.28Å; E81-R85 WeakPolarHBondContact O-CB 3.29Å; E81-R85 PolarHBondContact O-N 3.11Å; I82-R85 PolarHBondContact O-N 3.19Å; I83-R85 PolarHBondContact O-N 3.27Å; R85-V87 VanDerWaalsContact C-N 3.33Å; R85-V87 PolarHBondContact O-N 3.03Å; R85-E88 IonicContact NE-OE2 3.85Å; R85-E88 PolarHBondContact NE-OE2 3.04Å; R85-E88 PolarHBondContact O-N 3.32Å; R85-L89 HydrophobicContact CG-CD1 4.38Å; R85-L89 WeakPolarHBondContact O-CG 3.28Å; R85-L89 PolarHBondContact O-N 3.09Å; R85-F116 HydrophobicContact CB-CE1 4.35Å; R85-F116 HydrophobicContact CB-CZ 3.86Å; R85-F116 HydrophobicContact CG-CE1 4.24Å; R85-F116 HydrophobicContact CG-CE2 3.75Å; R85-F116 HydrophobicContact CG-CZ 3.59Å; R85-T125 PolarHBondContact NH1-O 3.11Å
86Y98.1Very high96.8Very high0 Ų055 Ų550%029%0.285CS..Hα-helixtrans-63.6-39.9176.7-178.8-125.2000112M4 L6 F66 I82 I83 H84 E88 L89 L90 A109 I112 L113 F116M4-Y86 HydrophobicContact CE-CD1 3.53Å; M4-Y86 HydrophobicContact CE-CE1 4.09Å; M4-Y86 HydrophobicContact CE-CG 4.35Å; M4-Y86 HydrophobicContact SD-CD1 4.42Å; L6-Y86 HydrophobicContact CD1-CE1 4.45Å; L6-Y86 HydrophobicContact CD2-CE1 4.18Å; F66-Y86 HydrophobicContact CD1-CD1 4.17Å; F66-Y86 AromaticContact CE1-CD1 3.79Å; F66-Y86 HydrophobicContact CE1-CD1 3.79Å; F66-Y86 AromaticContact CE1-CE1 3.99Å; F66-Y86 HydrophobicContact CE1-CE1 3.99Å; I82-Y86 PolarHBondContact O-N 3.4Å; I83-Y86 PolarHBondContact O-N 2.77Å; H84-Y86 VanDerWaalsContact C-N 3.32Å; H84-Y86 PolarHBondContact O-N 3.47Å; Y86-E88 PolarHBondContact O-N 3.4Å; Y86-L89 WeakPolarHBondContact O-CB 3.15Å; Y86-L89 PolarHBondContact O-N 2.93Å; Y86-L90 HydrophobicContact CD1-CD1 4.03Å; Y86-L90 HydrophobicContact CD2-CG 4.39Å; Y86-L90 HydrophobicContact CE1-CD1 3.65Å; Y86-L90 HydrophobicContact CE1-CG 4.35Å; Y86-L90 HydrophobicContact CE2-CD1 4.23Å; Y86-L90 HydrophobicContact CE2-CD2 4.1Å; Y86-L90 HydrophobicContact CE2-CG 4.01Å; Y86-L90 HydrophobicContact CG-CD1 4.49Å; Y86-L90 WeakPolarHBondContact O-CG 3.29Å; Y86-L90 PolarHBondContact O-N 3.03Å; Y86-A109 PolarHBondContact OH-O 3.44Å; Y86-I112 HydrophobicContact CD2-CG2 4.39Å; Y86-I112 HydrophobicContact CE2-CB 4.41Å; Y86-I112 HydrophobicContact CE2-CG2 4.01Å; Y86-L113 HydrophobicContact CD1-CD1 4.34Å; Y86-L113 HydrophobicContact CD2-CD1 3.94Å; Y86-L113 HydrophobicContact CE1-CD1 4.22Å; Y86-L113 HydrophobicContact CE2-CB 3.7Å; Y86-L113 HydrophobicContact CE2-CD1 3.85Å; Y86-L113 HydrophobicContact CE2-CG 4.36Å; Y86-L113 HydrophobicContact CG-CD1 4.2Å; Y86-F116 HydrophobicContact CD2-CD1 4.28Å
87V97.6Very high96.7Very high21 Ų2154.3 Ų54.313%0.12728%0.284CS..Hα-helixtrans-62.2-42173.5174.50000111.6Y61 F66 I83 H84 R85 L89 L90 D91Y61-V87 HydrophobicContact CD1-CG1 4.07Å; Y61-V87 HydrophobicContact CD1-CG2 4.49Å; Y61-V87 HydrophobicContact CD2-CG2 3.79Å; Y61-V87 HydrophobicContact CE1-CG1 4.3Å; Y61-V87 HydrophobicContact CE2-CG2 3.83Å; Y61-V87 HydrophobicContact CG-CG1 4.3Å; Y61-V87 HydrophobicContact CG-CG2 4.14Å; F66-V87 HydrophobicContact CD1-CG2 4.18Å; F66-V87 HydrophobicContact CD2-CG2 4.3Å; F66-V87 HydrophobicContact CE1-CG2 3.72Å; F66-V87 HydrophobicContact CE2-CG2 3.87Å; F66-V87 HydrophobicContact CG-CG2 4.47Å; F66-V87 HydrophobicContact CZ-CG2 3.57Å; I83-V87 WeakPolarHBondContact O-CG2 3.35Å; I83-V87 PolarHBondContact O-N 3.41Å; I83-V87 VanDerWaalsContact O-N 3.11Å; H84-V87 WeakPolarHBondContact O-CB 3.3Å; H84-V87 PolarHBondContact O-N 2.79Å; H84-V87 VanDerWaalsContact O-N 3.11Å; R85-V87 VanDerWaalsContact C-N 3.33Å; R85-V87 PolarHBondContact O-N 3.03Å; V87-L89 VanDerWaalsContact C-N 3.32Å; V87-L89 PolarHBondContact O-N 3Å; V87-L90 PolarHBondContact O-N 3.27Å; V87-D91 WeakPolarHBondContact O-CB 3.31Å; V87-D91 PolarHBondContact O-N 2.99Å
88E97.4Very high96.5Very high57 Ų5751.9 Ų51.927%0.26628%0.276SS..Hα-helixtrans-63.4-37175.6-65.3-174.2114.600112.7H84 R85 Y86 K92 K127H84-E88 WeakPolarHBondContact O-CG 3.45Å; H84-E88 PolarHBondContact O-N 3.02Å; R85-E88 IonicContact NE-OE2 3.85Å; R85-E88 PolarHBondContact NE-OE2 3.04Å; R85-E88 PolarHBondContact O-N 3.32Å; Y86-E88 PolarHBondContact O-N 3.4Å; E88-K92 VanDerWaalsContact O-CB 3.29Å; E88-K92 WeakPolarHBondContact O-CB 3.35Å; E88-K92 PolarHBondContact O-N 3.4Å; E88-K127 HydrophobicContact CB-CD 4.03Å; E88-K127 IonicContact OE1-NZ 3.85Å; E88-K127 PolarHBondContact OE1-NZ 3.42Å; E88-K127 WeakPolarHBondContact OE2-CD 3.21Å; E88-K127 WeakPolarHBondContact OE2-CE 3.49Å; E88-K127 IonicContact OE2-NZ 3.11Å; E88-K127 PolarHBondContact OE2-NZ 3.16Å
89L97.6Very high96.5Very high1 Ų148.3 Ų48.31%0.00526%0.257CS..Hα-helixtrans-64.9-46.9175.9-72.9169.1000111R85 Y86 V87 K92 Y93 I112 F116 K127 V130 L131R85-L89 HydrophobicContact CG-CD1 4.38Å; R85-L89 WeakPolarHBondContact O-CG 3.28Å; R85-L89 PolarHBondContact O-N 3.09Å; Y86-L89 WeakPolarHBondContact O-CB 3.15Å; Y86-L89 PolarHBondContact O-N 2.93Å; V87-L89 VanDerWaalsContact C-N 3.32Å; V87-L89 PolarHBondContact O-N 3Å; L89-K92 PolarHBondContact O-N 3.35Å; L89-Y93 WeakPolarHBondContact O-CB 3.49Å; L89-Y93 PolarHBondContact O-N 2.92Å; L89-I112 HydrophobicContact CB-CG2 3.86Å; L89-F116 HydrophobicContact CD1-CB 3.89Å; L89-F116 HydrophobicContact CD1-CD1 4.09Å; L89-F116 HydrophobicContact CD1-CD2 4.08Å; L89-F116 HydrophobicContact CD1-CG 3.75Å; L89-K127 HydrophobicContact CD2-CB 4.12Å; L89-K127 HydrophobicContact CD2-CG 4.03Å; L89-V130 HydrophobicContact CD1-CB 4.5Å; L89-V130 HydrophobicContact CD1-CG1 4.02Å; L89-V130 HydrophobicContact CD2-CB 3.88Å; L89-V130 HydrophobicContact CD2-CG1 3.87Å; L89-V130 HydrophobicContact CD2-CG2 4.47Å; L89-L131 HydrophobicContact CD2-CD2 4.4Å; L89-L131 HydrophobicContact CD2-CG 4.08Å
90L97.6Very high96.4Very high1 Ų152.8 Ų52.81%0.00528%0.28CS..Hα-helixtrans-59.8-46.7175-68.8170.9000111.2F66 Y86 V87 K92 Y93 F94 V97 I102 A109 I112F66-L90 HydrophobicContact CE1-CD1 4.3Å; F66-L90 HydrophobicContact CZ-CD1 4.39Å; Y86-L90 HydrophobicContact CD1-CD1 4.03Å; Y86-L90 HydrophobicContact CD2-CG 4.39Å; Y86-L90 HydrophobicContact CE1-CD1 3.65Å; Y86-L90 HydrophobicContact CE1-CG 4.35Å; Y86-L90 HydrophobicContact CE2-CD1 4.23Å; Y86-L90 HydrophobicContact CE2-CD2 4.1Å; Y86-L90 HydrophobicContact CE2-CG 4.01Å; Y86-L90 HydrophobicContact CG-CD1 4.49Å; Y86-L90 WeakPolarHBondContact O-CG 3.29Å; Y86-L90 PolarHBondContact O-N 3.03Å; V87-L90 PolarHBondContact O-N 3.27Å; L90-K92 VanDerWaalsContact C-N 3.31Å; L90-K92 PolarHBondContact O-N 2.96Å; L90-Y93 PolarHBondContact O-N 3.28Å; L90-F94 HydrophobicContact CB-CD2 4.44Å; L90-F94 HydrophobicContact CD2-CD2 4.37Å; L90-F94 HydrophobicContact CD2-CE2 3.86Å; L90-F94 VanDerWaalsContact O-CD2 3.31Å; L90-F94 WeakPolarHBondContact O-CD2 3.27Å; L90-F94 PolarHBondContact O-N 2.9Å; L90-V97 HydrophobicContact CB-CG1 4.3Å; L90-V97 HydrophobicContact CB-CG2 4.23Å; L90-I102 HydrophobicContact CD1-CD1 4.05Å; L90-A109 HydrophobicContact CD2-CB 4.13Å; L90-I112 HydrophobicContact CD2-CD1 4.02Å
91D96.6Very high96.3Very high73 Ų7353.4 Ų53.439%0.3928%0.283SS..Hα-helixtrans-61.4-40.3179.6-172.161.6000112.3V87 G95 S96 V97V87-D91 WeakPolarHBondContact O-CB 3.31Å; V87-D91 PolarHBondContact O-N 2.99Å; D91-G95 VanDerWaalsContact O-CA 3.3Å; D91-G95 WeakPolarHBondContact O-CA 3.32Å; D91-G95 PolarHBondContact O-N 3.29Å; D91-S96 PolarHBondContact O-N 2.91Å; D91-S96 WeakPolarHBondContact OD1-CA 3.48Å; D91-S96 PolarHBondContact OD1-N 2.85Å; D91-V97 HydrophobicContact CB-CG1 3.83Å; D91-V97 PolarHBondContact OD1-N 2.61Å
92K96.1Very high96.2Very high153 Ų15348 Ų4867%0.66526%0.258SS*.Hα-helixtrans-72.3-33.3179.2-168.759.7176.9175.40112.9E88 L89 L90 L131E88-K92 VanDerWaalsContact O-CB 3.29Å; E88-K92 WeakPolarHBondContact O-CB 3.35Å; E88-K92 PolarHBondContact O-N 3.4Å; L89-K92 PolarHBondContact O-N 3.35Å; L90-K92 VanDerWaalsContact C-N 3.31Å; L90-K92 PolarHBondContact O-N 2.96Å; K92-L131 HydrophobicContact CB-CD1 3.86Å; K92-L131 HydrophobicContact CB-CD2 4.36Å; K92-L131 HydrophobicContact CG-CD1 3.34Å; K92-L131 HydrophobicContact CG-CD2 4.45Å
93Y95.9Very high96.1Very high69 Ų6949.5 Ų49.527%0.27127%0.266SS..Hα-helixtrans-74.3-50.5177.4-178.6-95.9000112.1L89 L90 K108 I112 I134 D138L89-Y93 WeakPolarHBondContact O-CB 3.49Å; L89-Y93 PolarHBondContact O-N 2.92Å; L90-Y93 PolarHBondContact O-N 3.28Å; Y93-K108 HydrophobicContact CE1-CB 4.06Å; Y93-K108 HydrophobicContact CE1-CG 4.4Å; Y93-I112 HydrophobicContact CD1-CD1 3.59Å; Y93-I112 HydrophobicContact CD2-CD1 4.19Å; Y93-I112 HydrophobicContact CE1-CD1 4.15Å; Y93-I112 HydrophobicContact CG-CD1 3.59Å; Y93-I112 HydrophobicContact CG-CG1 4.48Å; Y93-I134 HydrophobicContact CD2-CG2 3.92Å; Y93-I134 HydrophobicContact CE2-CG2 3.46Å; Y93-I134 VanDerWaalsContact CE2-CG2 3.46Å; Y93-D138 WeakPolarHBondContact CE2-OD2 3.48Å; Y93-D138 PolarHBondContact OH-OD2 3.47Å
94F94.9Very high96Very high42 Ų4256.5 Ų56.518%0.18430%0.297CS..Hα-helixtrans-81.7-23-177-70.1-69.2000113.7L90 V97 D101 N105 K108 I112L90-F94 HydrophobicContact CB-CD2 4.44Å; L90-F94 HydrophobicContact CD2-CD2 4.37Å; L90-F94 HydrophobicContact CD2-CE2 3.86Å; L90-F94 VanDerWaalsContact O-CD2 3.31Å; L90-F94 WeakPolarHBondContact O-CD2 3.27Å; L90-F94 PolarHBondContact O-N 2.9Å; F94-V97 HydrophobicContact CB-CB 4.1Å; F94-V97 HydrophobicContact CB-CG2 4.2Å; F94-V97 HydrophobicContact CD2-CB 4.36Å; F94-V97 HydrophobicContact CD2-CG2 3.73Å; F94-V97 HydrophobicContact CG-CG2 4.24Å; F94-D101 HydrophobicContact CB-CB 4.44Å; F94-D101 HydrophobicContact CD1-CB 3.91Å; F94-D101 HydrophobicContact CD2-CB 4.45Å; F94-D101 HydrophobicContact CE1-CB 4.27Å; F94-D101 HydrophobicContact CG-CB 4.02Å; F94-N105 HydrophobicContact CE1-CB 3.75Å; F94-N105 HydrophobicContact CZ-CB 3.94Å; F94-K108 HydrophobicContact CZ-CB 4.2Å; F94-I112 HydrophobicContact CE2-CD1 4.36Å
95G92Very high95.9Very high53 Ų5355.9 Ų55.955%0.54630%0.296SS..THydrogen-bonded Turntrans73.881.1-178.400000112.4D91D91-G95 VanDerWaalsContact O-CA 3.3Å; D91-G95 WeakPolarHBondContact O-CA 3.32Å; D91-G95 PolarHBondContact O-N 3.29Å
96S91.7Very high95.8Very high103 Ų10358 Ų5872%0.7231%0.307SS*.SBendtrans73.364.8-169.6-46.50000112.3D91 C98D91-S96 PolarHBondContact O-N 2.91Å; D91-S96 WeakPolarHBondContact OD1-CA 3.48Å; D91-S96 PolarHBondContact OD1-N 2.85Å; S96-C98 PolarHBondContact O-N 2.86Å
97V95.1Very high95.7Very high36 Ų3661.1 Ų61.122%0.21832%0.321CS..  trans-61.1135.8-172.666.10000112.3L90 D91 F94 D101 I102L90-V97 HydrophobicContact CB-CG1 4.3Å; L90-V97 HydrophobicContact CB-CG2 4.23Å; D91-V97 HydrophobicContact CB-CG1 3.83Å; D91-V97 PolarHBondContact OD1-N 2.61Å; F94-V97 HydrophobicContact CB-CB 4.1Å; F94-V97 HydrophobicContact CB-CG2 4.2Å; F94-V97 HydrophobicContact CD2-CB 4.36Å; F94-V97 HydrophobicContact CD2-CG2 3.73Å; F94-V97 HydrophobicContact CG-CG2 4.24Å; V97-D101 HydrophobicContact CG2-CB 4.34Å; V97-I102 HydrophobicContact CG2-CD1 4.46Å; V97-I102 HydrophobicContact CG2-CG1 4.2Å
98C95.1Very high95.5Very high58 Ų5861.6 Ų61.639%0.39232%0.322SS..  trans-122.8169.9169.9790000112S96 L100 D101S96-C98 PolarHBondContact O-N 2.86Å; C98-L100 PolarHBondContact O-N 2.92Å; C98-D101 PolarHBondContact N-OD2 3.08Å; C98-D101 PolarHBondContact O-N 3.02Å; C98-D101 VanDerWaalsContact SG-CG 3.55Å; C98-D101 PolarHBondContact SG-OD2 3.03Å
99E95.2Very high95.5Very high27 Ų2758.9 Ų58.913%0.12631%0.309CS..Hα-helixtrans-60-33.4178.9172.7174.3-179.500112.7S8 R14 S63 L64 D101 I102 I103S8-E99 WeakPolarHBondContact CB-OE1 3.3Å; R14-E99 IonicContact CZ-OE1 3.33Å; R14-E99 IonicContact NE-OE1 2.74Å; R14-E99 PolarHBondContact NE-OE1 2.97Å; R14-E99 IonicContact NH2-OE1 2.76Å; R14-E99 PolarHBondContact NH2-OE1 3.07Å; S63-E99 WeakPolarHBondContact CB-OE2 3.27Å; S63-E99 PolarHBondContact OG-OE2 2.86Å; L64-E99 HydrophobicContact CD1-CB 4Å; L64-E99 HydrophobicContact CD1-CG 4.38Å; L64-E99 HydrophobicContact CD2-CB 4.31Å; L64-E99 HydrophobicContact CD2-CG 3.87Å; L64-E99 HydrophobicContact CG-CB 4.02Å; L64-E99 HydrophobicContact CG-CG 4.15Å; E99-D101 VanDerWaalsContact C-N 3.34Å; E99-I102 PolarHBondContact O-N 2.98Å; E99-I103 HydrophobicContact CG-CD1 3.82Å; E99-I103 HydrophobicContact CG-CG1 4.41Å; E99-I103 VanDerWaalsContact O-CG1 3.31Å; E99-I103 WeakPolarHBondContact O-CG1 3.29Å; E99-I103 PolarHBondContact O-N 3.26Å; E99-I103 VanDerWaalsContact O-N 3.11Å
100L96Very high95.5Very high102 Ų10261.7 Ų61.753%0.53432%0.32SS..Hα-helixtrans-66-37.4178.7-68.3174.6000111.6C98 I102 I103 F104C98-L100 PolarHBondContact O-N 2.92Å; L100-I102 VanDerWaalsContact C-N 3.27Å; L100-I102 PolarHBondContact O-N 3.37Å; L100-I103 HydrophobicContact CD2-CD1 4.25Å; L100-I103 WeakPolarHBondContact O-CB 3.42Å; L100-I103 PolarHBondContact O-N 2.79Å; L100-F104 HydrophobicContact CB-CD2 4.12Å; L100-F104 HydrophobicContact CB-CE2 4.15Å; L100-F104 HydrophobicContact CD2-CE2 4.14Å; L100-F104 WeakPolarHBondContact O-CD2 3.49Å; L100-F104 PolarHBondContact O-N 2.91Å
101D96.6Very high95.4Very high47 Ų4766 Ų6625%0.25134%0.339SS..Hα-helixtrans-60.6-40.6178.9-56.9-40.8000111.2F94 V97 C98 E99 N105F94-D101 HydrophobicContact CB-CB 4.44Å; F94-D101 HydrophobicContact CD1-CB 3.91Å; F94-D101 HydrophobicContact CD2-CB 4.45Å; F94-D101 HydrophobicContact CE1-CB 4.27Å; F94-D101 HydrophobicContact CG-CB 4.02Å; V97-D101 HydrophobicContact CG2-CB 4.34Å; C98-D101 PolarHBondContact N-OD2 3.08Å; C98-D101 PolarHBondContact O-N 3.02Å; C98-D101 VanDerWaalsContact SG-CG 3.55Å; C98-D101 PolarHBondContact SG-OD2 3.03Å; E99-D101 VanDerWaalsContact C-N 3.34Å; D101-N105 WeakPolarHBondContact O-CB 3.18Å; D101-N105 PolarHBondContact O-N 2.86Å; D101-N105 PolarHBondContact O-ND2 3.13Å
102I96.4Very high95.5Very high3 Ų362.5 Ų62.52%0.01532%0.32CS..Hα-helixtrans-69.2-34.7175.6-57.5-179.1000111.4L6 R14 L64 L90 V97 E99 L100 F106 A109L6-I102 HydrophobicContact CD2-CD1 4.38Å; R14-I102 HydrophobicContact CB-CG2 4.35Å; L64-I102 HydrophobicContact CD1-CD1 3.66Å; L90-I102 HydrophobicContact CD1-CD1 4.05Å; V97-I102 HydrophobicContact CG2-CD1 4.46Å; V97-I102 HydrophobicContact CG2-CG1 4.2Å; E99-I102 PolarHBondContact O-N 2.98Å; L100-I102 VanDerWaalsContact C-N 3.27Å; L100-I102 PolarHBondContact O-N 3.37Å; I102-F106 WeakPolarHBondContact O-CA 3.35Å; I102-F106 WeakPolarHBondContact O-CB 3.41Å; I102-F106 PolarHBondContact O-N 3.16Å; I102-A109 HydrophobicContact CG2-CB 4.21Å
103I95.9Very high95.5Very high55 Ų5555.2 Ų55.228%0.28229%0.289SS..Hα-helixtrans-68.9-44.6177.5-69.6164.5000111.1E99 L100E99-I103 HydrophobicContact CG-CD1 3.82Å; E99-I103 HydrophobicContact CG-CG1 4.41Å; E99-I103 VanDerWaalsContact O-CG1 3.31Å; E99-I103 WeakPolarHBondContact O-CG1 3.29Å; E99-I103 PolarHBondContact O-N 3.26Å; E99-I103 VanDerWaalsContact O-N 3.11Å; L100-I103 HydrophobicContact CD2-CD1 4.25Å; L100-I103 WeakPolarHBondContact O-CB 3.42Å; L100-I103 PolarHBondContact O-N 2.79Å
104F96.2Very high95.6Very high148 Ų14854.6 Ų54.665%0.64929%0.29SS*.Hα-helixtrans-79.1-30-176-74.7-65000112.9L100L100-F104 HydrophobicContact CB-CD2 4.12Å; L100-F104 HydrophobicContact CB-CE2 4.15Å; L100-F104 HydrophobicContact CD2-CE2 4.14Å; L100-F104 WeakPolarHBondContact O-CD2 3.49Å; L100-F104 PolarHBondContact O-N 2.91Å
105N95.5Very high95.7Very high57 Ų5755.6 Ų55.631%0.30530%0.295SS..THydrogen-bonded Turntrans-12249.5-178.6-47.6-81.6000110.5F94 D101 E107 K108 A109F94-N105 HydrophobicContact CE1-CB 3.75Å; F94-N105 HydrophobicContact CZ-CB 3.94Å; D101-N105 WeakPolarHBondContact O-CB 3.18Å; D101-N105 PolarHBondContact O-N 2.86Å; D101-N105 PolarHBondContact O-ND2 3.13Å; N105-E107 PolarHBondContact O-N 3.04Å; N105-K108 HydrophobicContact CB-CB 4.16Å; N105-K108 HydrophobicContact CB-CG 4.16Å; N105-K108 PolarHBondContact O-N 3.34Å; N105-K108 VanDerWaalsContact O-N 3.13Å; N105-A109 PolarHBondContact O-N 3.02Å; N105-A109 VanDerWaalsContact O-N 3.16Å
106F95.1Very high95.9Very high111 Ų11153.3 Ų53.349%0.48727%0.27SS..Hα-helixtrans-62.7-35.5-174.370.1-89.7000111.5I102 K108 A109 Y110I102-F106 WeakPolarHBondContact O-CA 3.35Å; I102-F106 WeakPolarHBondContact O-CB 3.41Å; I102-F106 PolarHBondContact O-N 3.16Å; F106-K108 VanDerWaalsContact C-N 3.34Å; F106-K108 PolarHBondContact O-N 3.32Å; F106-A109 WeakPolarHBondContact O-CB 3.17Å; F106-A109 PolarHBondContact O-N 2.99Å; F106-Y110 HydrophobicContact CD2-CD2 4.14Å; F106-Y110 HydrophobicContact CD2-CE2 4.1Å; F106-Y110 WeakPolarHBondContact O-CD2 3.36Å; F106-Y110 PolarHBondContact O-N 3.49Å
107E94.6Very high96.2Very high66 Ų6648.4 Ų48.431%0.30824%0.236SC..Hα-helixtrans-60.5-41.517564.9-71.6168.500112.1N105 A109 Y110 F111N105-E107 PolarHBondContact O-N 3.04Å; E107-A109 VanDerWaalsContact C-N 3.33Å; E107-A109 PolarHBondContact O-N 3.16Å; E107-Y110 PolarHBondContact O-N 2.93Å; E107-F111 HydrophobicContact CB-CE2 4.46Å; E107-F111 HydrophobicContact CB-CZ 4.4Å; E107-F111 WeakPolarHBondContact O-CD1 3.24Å; E107-F111 VanDerWaalsContact O-CG 3.23Å; E107-F111 WeakPolarHBondContact O-CG 3.45Å; E107-F111 PolarHBondContact O-N 3.47Å
108K94.8Very high96.2Very high32 Ų3252 Ų5214%0.13925%0.254CS..Hα-helixtrans-65.9-38.5175.9-62-57.8-171.31790111.2Y93 F94 N105 F106 Y110 F111 I112 D138 Q141Y93-K108 HydrophobicContact CE1-CB 4.06Å; Y93-K108 HydrophobicContact CE1-CG 4.4Å; F94-K108 HydrophobicContact CZ-CB 4.2Å; N105-K108 HydrophobicContact CB-CB 4.16Å; N105-K108 HydrophobicContact CB-CG 4.16Å; N105-K108 PolarHBondContact O-N 3.34Å; N105-K108 VanDerWaalsContact O-N 3.13Å; F106-K108 VanDerWaalsContact C-N 3.34Å; F106-K108 PolarHBondContact O-N 3.32Å; K108-Y110 VanDerWaalsContact C-N 3.34Å; K108-Y110 PolarHBondContact O-N 3.23Å; K108-F111 HydrophobicContact CD-CD2 4Å; K108-F111 HydrophobicContact CD-CE2 4.42Å; K108-F111 PolarHBondContact O-N 3.2Å; K108-I112 WeakPolarHBondContact O-CD1 3.13Å; K108-I112 VanDerWaalsContact O-CG1 3.24Å; K108-I112 WeakPolarHBondContact O-CG1 3.16Å; K108-I112 PolarHBondContact O-N 3.26Å; K108-D138 IonicContact NZ-OD1 2.63Å; K108-D138 PolarHBondContact NZ-OD1 3.35Å; K108-Q141 VanDerWaalsContact NZ-OE1 3.11Å
109A97.4Very high96.3Very high0 Ų052.2 Ų52.20%027%0.265CS..Hα-helixtrans-60.7-43172.600000111.7L15 Y86 L90 I102 N105 F106 E107 I112 L113L15-A109 HydrophobicContact CD1-CB 4.06Å; Y86-A109 PolarHBondContact OH-O 3.44Å; L90-A109 HydrophobicContact CD2-CB 4.13Å; I102-A109 HydrophobicContact CG2-CB 4.21Å; N105-A109 PolarHBondContact O-N 3.02Å; N105-A109 VanDerWaalsContact O-N 3.16Å; F106-A109 WeakPolarHBondContact O-CB 3.17Å; F106-A109 PolarHBondContact O-N 2.99Å; E107-A109 VanDerWaalsContact C-N 3.33Å; E107-A109 PolarHBondContact O-N 3.16Å; A109-I112 PolarHBondContact O-N 2.98Å; A109-L113 WeakPolarHBondContact O-CB 3.41Å; A109-L113 PolarHBondContact O-N 3.48Å
110Y97.4Very high96.2Very high59 Ų5951 Ų5123%0.23126%0.26CS..Hα-helixtrans-62.7-41173.3-80.5-77.7000112.6L15 Q16 K17 F106 E107 K108 L113 D114L15-Y110 HydrophobicContact CD1-CD1 4.19Å; L15-Y110 HydrophobicContact CD1-CD2 4.28Å; L15-Y110 HydrophobicContact CD1-CE1 4.19Å; L15-Y110 HydrophobicContact CD1-CE2 4.26Å; L15-Y110 HydrophobicContact CD1-CG 4.23Å; L15-Y110 HydrophobicContact CD2-CE1 4.05Å; L15-Y110 HydrophobicContact CG-CD1 4.21Å; L15-Y110 HydrophobicContact CG-CE1 3.71Å; L15-Y110 HydrophobicContact CG-CE2 4.03Å; Q16-Y110 PolarHBondContact N-OH 3.42Å; Q16-Y110 PolarHBondContact O-OH 3.22Å; K17-Y110 HydrophobicContact CD-CD1 4.42Å; F106-Y110 HydrophobicContact CD2-CD2 4.14Å; F106-Y110 HydrophobicContact CD2-CE2 4.1Å; F106-Y110 WeakPolarHBondContact O-CD2 3.36Å; F106-Y110 PolarHBondContact O-N 3.49Å; E107-Y110 PolarHBondContact O-N 2.93Å; K108-Y110 VanDerWaalsContact C-N 3.34Å; K108-Y110 PolarHBondContact O-N 3.23Å; Y110-L113 PolarHBondContact O-N 3.5Å; Y110-D114 WeakPolarHBondContact O-CB 3.4Å; Y110-D114 VanDerWaalsContact O-CG 3.23Å; Y110-D114 PolarHBondContact O-N 2.76Å
111F96.1Very high96.2Very high92 Ų9251.5 Ų51.540%0.40426%0.26SS..Hα-helixtrans-64.6-44.6178.5-61.4-22.5000112.2E107 K108 L113 D114 E115 I134E107-F111 HydrophobicContact CB-CE2 4.46Å; E107-F111 HydrophobicContact CB-CZ 4.4Å; E107-F111 WeakPolarHBondContact O-CD1 3.24Å; E107-F111 VanDerWaalsContact O-CG 3.23Å; E107-F111 WeakPolarHBondContact O-CG 3.45Å; E107-F111 PolarHBondContact O-N 3.47Å; K108-F111 HydrophobicContact CD-CD2 4Å; K108-F111 HydrophobicContact CD-CE2 4.42Å; K108-F111 PolarHBondContact O-N 3.2Å; F111-L113 VanDerWaalsContact C-N 3.28Å; F111-L113 PolarHBondContact O-N 3.26Å; F111-D114 PolarHBondContact O-N 3.27Å; F111-E115 PolarHBondContact O-N 3.18Å; F111-I134 HydrophobicContact CB-CD1 4.25Å; F111-I134 WeakPolarHBondContact O-CD1 3.26Å
112I97.1Very high96.1Very high0 Ų051.4 Ų51.40%027%0.265CS..Hα-helixtrans-61-41.4174.9-63.7161.4000110.5Y86 L89 L90 Y93 F94 K108 A109 D114 F116 I134Y86-I112 HydrophobicContact CD2-CG2 4.39Å; Y86-I112 HydrophobicContact CE2-CB 4.41Å; Y86-I112 HydrophobicContact CE2-CG2 4.01Å; L89-I112 HydrophobicContact CB-CG2 3.86Å; L90-I112 HydrophobicContact CD2-CD1 4.02Å; Y93-I112 HydrophobicContact CD1-CD1 3.59Å; Y93-I112 HydrophobicContact CD2-CD1 4.19Å; Y93-I112 HydrophobicContact CE1-CD1 4.15Å; Y93-I112 HydrophobicContact CG-CD1 3.59Å; Y93-I112 HydrophobicContact CG-CG1 4.48Å; F94-I112 HydrophobicContact CE2-CD1 4.36Å; K108-I112 WeakPolarHBondContact O-CD1 3.13Å; K108-I112 VanDerWaalsContact O-CG1 3.24Å; K108-I112 WeakPolarHBondContact O-CG1 3.16Å; K108-I112 PolarHBondContact O-N 3.26Å; A109-I112 PolarHBondContact O-N 2.98Å; I112-D114 VanDerWaalsContact C-N 3.34Å; I112-F116 WeakPolarHBondContact O-CB 3.36Å; I112-F116 PolarHBondContact O-N 2.96Å; I112-I134 HydrophobicContact CG1-CD1 4.35Å; I112-I134 HydrophobicContact CG1-CG1 4.13Å; I112-I134 HydrophobicContact CG1-CG2 4.29Å
113L97.7Very high96.1Very high0 Ų056 Ų560%029%0.286CS..Hα-helixtrans-64-40.9177.4-174.961000111.7M4 L15 K17 Y86 A109 Y110 F111 F116 L117M4-L113 HydrophobicContact SD-CD1 3.8Å; M4-L113 HydrophobicContact SD-CD2 4.39Å; L15-L113 HydrophobicContact CD1-CD2 4.34Å; L15-L113 HydrophobicContact CD2-CD2 3.69Å; K17-L113 HydrophobicContact CB-CD2 3.74Å; K17-L113 HydrophobicContact CG-CD2 4.04Å; Y86-L113 HydrophobicContact CD1-CD1 4.34Å; Y86-L113 HydrophobicContact CD2-CD1 3.94Å; Y86-L113 HydrophobicContact CE1-CD1 4.22Å; Y86-L113 HydrophobicContact CE2-CB 3.7Å; Y86-L113 HydrophobicContact CE2-CD1 3.85Å; Y86-L113 HydrophobicContact CE2-CG 4.36Å; Y86-L113 HydrophobicContact CG-CD1 4.2Å; A109-L113 WeakPolarHBondContact O-CB 3.41Å; A109-L113 PolarHBondContact O-N 3.48Å; Y110-L113 PolarHBondContact O-N 3.5Å; F111-L113 VanDerWaalsContact C-N 3.28Å; F111-L113 PolarHBondContact O-N 3.26Å; L113-F116 PolarHBondContact O-N 2.86Å; L113-L117 HydrophobicContact CD1-CB 4.45Å; L113-L117 HydrophobicContact CD1-CD1 3.82Å; L113-L117 HydrophobicContact CD1-CG 4.2Å; L113-L117 PolarHBondContact O-N 3.21Å
114D96.7Very high96.1Very high56 Ų5655.7 Ų55.730%0.29928%0.284SS..Hα-helixtrans-74.5-29-176.7-73.5-1.8000112.6K17 Y110 F111 I112 F116K17-D114 WeakPolarHBondContact CE-OD1 3.42Å; K17-D114 IonicContact NZ-OD1 2.86Å; K17-D114 PolarHBondContact NZ-OD1 3.28Å; K17-D114 IonicContact NZ-OD2 3.68Å; K17-D114 PolarHBondContact NZ-OD2 3.25Å; Y110-D114 WeakPolarHBondContact O-CB 3.4Å; Y110-D114 VanDerWaalsContact O-CG 3.23Å; Y110-D114 PolarHBondContact O-N 2.76Å; F111-D114 PolarHBondContact O-N 3.27Å; I112-D114 VanDerWaalsContact C-N 3.34Å; D114-F116 VanDerWaalsContact C-N 3.3Å
115E96.4Very high96Very high62 Ų6253.6 Ų53.629%0.2928%0.283SS..Hα-helixtrans-73.4-26.6171.2-168.859.8-148.800112F111 V130 A133 I134F111-E115 PolarHBondContact O-N 3.18Å; E115-V130 HydrophobicContact CB-CG1 4.09Å; E115-V130 HydrophobicContact CG-CB 4.44Å; E115-V130 HydrophobicContact CG-CG1 3.94Å; E115-A133 HydrophobicContact CG-CB 3.86Å; E115-A133 WeakPolarHBondContact OE1-CB 3.42Å; E115-I134 HydrophobicContact CB-CD1 3.73Å; E115-I134 HydrophobicContact CB-CG1 4.3Å; E115-I134 HydrophobicContact CG-CD1 4.18Å; E115-I134 HydrophobicContact CG-CG1 4.41Å
116F97.7Very high96Very high5 Ų552.7 Ų52.72%0.02228%0.282CS..Hα-helixtrans-87.7-46.1179.3175.4-135.2000113I82 R85 Y86 L89 I112 L113 D114 Q123 E124I82-F116 HydrophobicContact CB-CZ 4.43Å; I82-F116 HydrophobicContact CG1-CZ 4.46Å; I82-F116 HydrophobicContact CG2-CE1 3.78Å; I82-F116 HydrophobicContact CG2-CZ 4Å; I82-F116 WeakPolarHBondContact O-CE1 3.37Å; R85-F116 HydrophobicContact CB-CE1 4.35Å; R85-F116 HydrophobicContact CB-CZ 3.86Å; R85-F116 HydrophobicContact CG-CE1 4.24Å; R85-F116 HydrophobicContact CG-CE2 3.75Å; R85-F116 HydrophobicContact CG-CZ 3.59Å; Y86-F116 HydrophobicContact CD2-CD1 4.28Å; L89-F116 HydrophobicContact CD1-CB 3.89Å; L89-F116 HydrophobicContact CD1-CD1 4.09Å; L89-F116 HydrophobicContact CD1-CD2 4.08Å; L89-F116 HydrophobicContact CD1-CG 3.75Å; I112-F116 WeakPolarHBondContact O-CB 3.36Å; I112-F116 PolarHBondContact O-N 2.96Å; L113-F116 PolarHBondContact O-N 2.86Å; D114-F116 VanDerWaalsContact C-N 3.3Å; F116-Q123 PolarHBondContact O-N 3.41Å; F116-E124 VanDerWaalsContact CD2-O 3.29Å; F116-E124 WeakPolarHBondContact CD2-O 3.27Å
117L97.3Very high95.9Very high1 Ų151.1 Ų51.11%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-123.1129.5-174.6-62.5-175000111.2M1 M4 Y19 I82 L113 E121 A122M1-L117 HydrophobicContact CE-CD1 4.23Å; M4-L117 HydrophobicContact SD-CD1 4.47Å; Y19-L117 WeakPolarHBondContact OH-CB 3.37Å; I82-L117 HydrophobicContact CG2-CD1 3.96Å; I82-L117 HydrophobicContact CG2-CD2 3.96Å; I82-L117 HydrophobicContact CG2-CG 4.49Å; L113-L117 HydrophobicContact CD1-CB 4.45Å; L113-L117 HydrophobicContact CD1-CD1 3.82Å; L113-L117 HydrophobicContact CD1-CG 4.2Å; L113-L117 PolarHBondContact O-N 3.21Å; L117-E121 CarbonylContact C-O 3.57Å; L117-E121 VanDerWaalsContact CA-O 3.3Å; L117-E121 WeakPolarHBondContact CA-O 3.36Å; L117-A122 HydrophobicContact CD2-CB 4.12Å
118L96.3Very high95.9Very high112 Ų11256.3 Ų56.359%0.58630%0.296SS*.EExtended strand (participates in β ladder)trans-132.1133.8175-17267.8000110.3G120 E121 Q123L118-G120 PolarHBondContact O-N 3.2Å; L118-G120 VanDerWaalsContact O-N 3.08Å; L118-E121 PolarHBondContact N-O 2.86Å; L118-E121 PolarHBondContact O-N 2.63Å; L118-Q123 HydrophobicContact CB-CB 4.24Å; L118-Q123 VanDerWaalsContact CD2-OE1 3.32Å
119G95.6Very high96Very high61 Ų6158.5 Ų58.563%0.62931%0.309SS*.THydrogen-bonded Turntrans62.217.5178.500000114.8
120G94.6Very high95.9Very high2 Ų258.5 Ų58.52%0.02131%0.31CS..THydrogen-bonded Turntrans887.2-176.600000114.3M1 Y19 L118M1-G120 WeakPolarHBondContact CB-O 3.42Å; M1-G120 PolarHBondContact N-O 3.07Å; M1-G120 WeakPolarHBondContact O-CA 3.39Å; Y19-G120 VanDerWaalsContact CG-CA 3.47Å; Y19-G120 VanDerWaalsContact CG-N 3.34Å; L118-G120 PolarHBondContact O-N 3.2Å; L118-G120 VanDerWaalsContact O-N 3.08Å
121E95.1Very high95.8Very high113 Ų11357.3 Ų57.353%0.52831%0.307SS..EExtended strand (participates in β ladder)trans-123.5158.4178.8-61.2-53.514000111.2M1 L117 L118 Q123M1-E121 PolarHBondContact N-OE1 3.43Å; L117-E121 CarbonylContact C-O 3.57Å; L117-E121 VanDerWaalsContact CA-O 3.3Å; L117-E121 WeakPolarHBondContact CA-O 3.36Å; L118-E121 PolarHBondContact N-O 2.86Å; L118-E121 PolarHBondContact O-N 2.63Å; E121-Q123 PolarHBondContact O-N 3.2Å
122A95.3Very high95.8Very high45 Ų4558.8 Ų58.837%0.37231%0.313SS..EExtended strand (participates in β ladder)trans-73.1119.6176.300000110.8L117L117-A122 HydrophobicContact CD2-CB 4.12Å
123Q96.3Very high95.7Very high98 Ų9860 Ų6046%0.45832%0.323SS..SBendtrans-85.8-50177.7173.7179.1-54.600111.2F116 L118 E121F116-Q123 PolarHBondContact O-N 3.41Å; L118-Q123 HydrophobicContact CB-CB 4.24Å; L118-Q123 VanDerWaalsContact CD2-OE1 3.32Å; E121-Q123 PolarHBondContact O-N 3.2Å
124E95.1Very high95.5Very high49 Ų4960.3 Ų60.323%0.22933%0.325CS..  trans-126.4124.9-176.817756.5-91.400109.9F116 S126 N129 V130F116-E124 VanDerWaalsContact CD2-O 3.29Å; F116-E124 WeakPolarHBondContact CD2-O 3.27Å; E124-S126 VanDerWaalsContact OE1-CB 3.32Å; E124-S126 WeakPolarHBondContact OE1-CB 3.09Å; E124-S126 PolarHBondContact OE1-N 3.12Å; E124-N129 HydrophobicContact CG-CB 3.78Å; E124-N129 VanDerWaalsContact OE2-CB 3.24Å; E124-N129 WeakPolarHBondContact OE2-CB 3.24Å; E124-N129 PolarHBondContact OE2-ND2 2.83Å; E124-V130 HydrophobicContact CB-CG2 3.84Å; E124-V130 HydrophobicContact CG-CG2 3.56Å
125T93.4Very high95.4Very high104 Ų10463.4 Ų63.464%0.63834%0.337SS*.  trans-98.4-12.3-176.860.30000112.4R85R85-T125 PolarHBondContact NH1-O 3.11Å
126S95.4Very high95.2Very high38 Ų3865.9 Ų65.927%0.26635%0.349SS..  trans-87.3113.7175.91750000111.1E124 K128 N129 V130E124-S126 VanDerWaalsContact OE1-CB 3.32Å; E124-S126 WeakPolarHBondContact OE1-CB 3.09Å; E124-S126 PolarHBondContact OE1-N 3.12Å; S126-K128 PolarHBondContact O-N 3.11Å; S126-K128 VanDerWaalsContact O-N 3.16Å; S126-K128 PolarHBondContact OG-N 3.49Å; S126-N129 PolarHBondContact O-N 2.94Å; S126-N129 PolarHBondContact OG-N 3.43Å; S126-N129 PolarHBondContact OG-OD1 3.37Å; S126-V130 PolarHBondContact O-N 3.06Å; S126-V130 VanDerWaalsContact O-N 3.16Å
127K94.1Very high95Very high78 Ų7868 Ų6834%0.33937%0.367SS..Hα-helixtrans-51.9-39.3172.6-73.6-170.3-75.5-164.50112.7E88 L89 N129 L131E88-K127 HydrophobicContact CB-CD 4.03Å; E88-K127 IonicContact OE1-NZ 3.85Å; E88-K127 PolarHBondContact OE1-NZ 3.42Å; E88-K127 WeakPolarHBondContact OE2-CD 3.21Å; E88-K127 WeakPolarHBondContact OE2-CE 3.49Å; E88-K127 IonicContact OE2-NZ 3.11Å; E88-K127 PolarHBondContact OE2-NZ 3.16Å; L89-K127 HydrophobicContact CD2-CB 4.12Å; L89-K127 HydrophobicContact CD2-CG 4.03Å; K127-N129 VanDerWaalsContact C-N 3.34Å; K127-L131 WeakPolarHBondContact O-CB 3.32Å; K127-L131 WeakPolarHBondContact O-CD1 3.49Å; K127-L131 VanDerWaalsContact O-CG 3.27Å; K127-L131 WeakPolarHBondContact O-CG 3.4Å; K127-L131 PolarHBondContact O-N 2.65Å; K127-L131 VanDerWaalsContact O-N 3.12Å
128K95.1Very high94.7Very high175 Ų17569.3 Ų69.376%0.76137%0.374SS*.Hα-helixtrans-65.4-39-178.2-66.8-177.9179.4-1800111.6S126 K132S126-K128 PolarHBondContact O-N 3.11Å; S126-K128 VanDerWaalsContact O-N 3.16Å; S126-K128 PolarHBondContact OG-N 3.49Å; K128-K132 VanDerWaalsContact O-CB 3.28Å; K128-K132 WeakPolarHBondContact O-CB 3.28Å; K128-K132 PolarHBondContact O-N 3.16Å; K128-K132 VanDerWaalsContact O-N 3.11Å
129N96.2Very high94.5Very high78 Ų7868.9 Ų68.942%0.41737%0.372SS..Hα-helixtrans-71.8-46.5-178.6-67.82.2000110.7E124 S126 K127 L131 K132 A133E124-N129 HydrophobicContact CG-CB 3.78Å; E124-N129 VanDerWaalsContact OE2-CB 3.24Å; E124-N129 WeakPolarHBondContact OE2-CB 3.24Å; E124-N129 PolarHBondContact OE2-ND2 2.83Å; S126-N129 PolarHBondContact O-N 2.94Å; S126-N129 PolarHBondContact OG-N 3.43Å; S126-N129 PolarHBondContact OG-OD1 3.37Å; K127-N129 VanDerWaalsContact C-N 3.34Å; N129-L131 PolarHBondContact O-N 2.9Å; N129-K132 PolarHBondContact O-N 3.47Å; N129-A133 PolarHBondContact O-N 2.98Å
130V96.1Very high94.4Very high1 Ų170.9 Ų70.91%0.00637%0.368CS..Hα-helixtrans-54.6-52.9176.1177.80000110.5L89 E115 E124 S126 K132 A133 I134L89-V130 HydrophobicContact CD1-CB 4.5Å; L89-V130 HydrophobicContact CD1-CG1 4.02Å; L89-V130 HydrophobicContact CD2-CB 3.88Å; L89-V130 HydrophobicContact CD2-CG1 3.87Å; L89-V130 HydrophobicContact CD2-CG2 4.47Å; E115-V130 HydrophobicContact CB-CG1 4.09Å; E115-V130 HydrophobicContact CG-CB 4.44Å; E115-V130 HydrophobicContact CG-CG1 3.94Å; E124-V130 HydrophobicContact CB-CG2 3.84Å; E124-V130 HydrophobicContact CG-CG2 3.56Å; S126-V130 PolarHBondContact O-N 3.06Å; S126-V130 VanDerWaalsContact O-N 3.16Å; V130-K132 VanDerWaalsContact C-N 3.32Å; V130-K132 PolarHBondContact O-N 2.94Å; V130-A133 PolarHBondContact O-N 3.42Å; V130-I134 WeakPolarHBondContact O-CG1 3.38Å; V130-I134 PolarHBondContact O-N 3.02Å
131L94.2Very high94.1Very high34 Ų3474.7 Ų74.718%0.17839%0.385CS..Hα-helixtrans-62.9-38.6-177.8-68.9166.6000112.7L89 K92 K127 N129 I134 E135L89-L131 HydrophobicContact CD2-CD2 4.4Å; L89-L131 HydrophobicContact CD2-CG 4.08Å; K92-L131 HydrophobicContact CB-CD1 3.86Å; K92-L131 HydrophobicContact CB-CD2 4.36Å; K92-L131 HydrophobicContact CG-CD1 3.34Å; K92-L131 HydrophobicContact CG-CD2 4.45Å; K127-L131 WeakPolarHBondContact O-CB 3.32Å; K127-L131 WeakPolarHBondContact O-CD1 3.49Å; K127-L131 VanDerWaalsContact O-CG 3.27Å; K127-L131 WeakPolarHBondContact O-CG 3.4Å; K127-L131 PolarHBondContact O-N 2.65Å; K127-L131 VanDerWaalsContact O-N 3.12Å; N129-L131 PolarHBondContact O-N 2.9Å; L131-I134 PolarHBondContact O-N 3.18Å; L131-E135 WeakPolarHBondContact O-CB 3.36Å; L131-E135 PolarHBondContact O-N 2.93Å
132K95.8Very high93.8Very high123 Ų12375.5 Ų75.554%0.53539%0.389SS..Hα-helixtrans-64.9-40176.5-176.2179.7178.5-175.30111.8K128 N129 V130 E135 Q136K128-K132 VanDerWaalsContact O-CB 3.28Å; K128-K132 WeakPolarHBondContact O-CB 3.28Å; K128-K132 PolarHBondContact O-N 3.16Å; K128-K132 VanDerWaalsContact O-N 3.11Å; N129-K132 PolarHBondContact O-N 3.47Å; V130-K132 VanDerWaalsContact C-N 3.32Å; V130-K132 PolarHBondContact O-N 2.94Å; K132-E135 PolarHBondContact O-N 3.35Å; K132-Q136 VanDerWaalsContact O-CG 3.26Å; K132-Q136 WeakPolarHBondContact O-CG 3.23Å; K132-Q136 PolarHBondContact O-N 3.24Å
133A94.9Very high93.6Very high25 Ų2579.5 Ų79.521%0.20740%0.395CS..Hα-helixtrans-65.5-43177.100000111.4E115 N129 V130 Q136 A137E115-A133 HydrophobicContact CG-CB 3.86Å; E115-A133 WeakPolarHBondContact OE1-CB 3.42Å; N129-A133 PolarHBondContact O-N 2.98Å; V130-A133 PolarHBondContact O-N 3.42Å; A133-Q136 PolarHBondContact O-N 2.63Å; A133-A137 WeakPolarHBondContact O-CB 3.48Å; A133-A137 PolarHBondContact O-N 2.88Å
134I94.1Very high93.2Very high7 Ų778.7 Ų78.74%0.03639%0.394CS..Hα-helixtrans-62.5-44.6174.9-61.3-60.2000111.5Y93 F111 I112 E115 V130 L131 Q136 A137 D138Y93-I134 HydrophobicContact CD2-CG2 3.92Å; Y93-I134 HydrophobicContact CE2-CG2 3.46Å; Y93-I134 VanDerWaalsContact CE2-CG2 3.46Å; F111-I134 HydrophobicContact CB-CD1 4.25Å; F111-I134 WeakPolarHBondContact O-CD1 3.26Å; I112-I134 HydrophobicContact CG1-CD1 4.35Å; I112-I134 HydrophobicContact CG1-CG1 4.13Å; I112-I134 HydrophobicContact CG1-CG2 4.29Å; E115-I134 HydrophobicContact CB-CD1 3.73Å; E115-I134 HydrophobicContact CB-CG1 4.3Å; E115-I134 HydrophobicContact CG-CD1 4.18Å; E115-I134 HydrophobicContact CG-CG1 4.41Å; V130-I134 WeakPolarHBondContact O-CG1 3.38Å; V130-I134 PolarHBondContact O-N 3.02Å; L131-I134 PolarHBondContact O-N 3.18Å; I134-Q136 VanDerWaalsContact C-N 3.32Å; I134-Q136 PolarHBondContact O-N 3.05Å; I134-A137 WeakPolarHBondContact O-CB 3.47Å; I134-A137 PolarHBondContact O-N 3.15Å; I134-A137 VanDerWaalsContact O-N 3.15Å; I134-D138 PolarHBondContact O-N 3.4Å
135E93.6Very high92.7Very high121 Ų12180.6 Ų80.657%0.56541%0.405SS*.Hα-helixtrans-60.2-41.7177.1-175.1-179.9-166.500111.9L131 K132 D138 L139L131-E135 WeakPolarHBondContact O-CB 3.36Å; L131-E135 PolarHBondContact O-N 2.93Å; K132-E135 PolarHBondContact O-N 3.35Å; E135-D138 PolarHBondContact O-N 3.03Å; E135-L139 WeakPolarHBondContact O-CG 3.46Å; E135-L139 PolarHBondContact O-N 2.96Å
136Q93.8Very high92.4Very high113 Ų11378.7 Ų78.753%0.52839%0.391SS..Hα-helixtrans-65.1-39.3175-72.5175.8-12.200112.4K132 A133 I134 L140K132-Q136 VanDerWaalsContact O-CG 3.26Å; K132-Q136 WeakPolarHBondContact O-CG 3.23Å; K132-Q136 PolarHBondContact O-N 3.24Å; A133-Q136 PolarHBondContact O-N 2.63Å; I134-Q136 VanDerWaalsContact C-N 3.32Å; I134-Q136 PolarHBondContact O-N 3.05Å; Q136-L140 WeakPolarHBondContact O-CB 3.33Å; Q136-L140 PolarHBondContact O-N 3.38Å; Q136-L140 VanDerWaalsContact O-N 3.08Å
137A92Very high91.7Very high50 Ų5082.4 Ų82.441%0.41340%0.403SS..Hα-helixtrans-65.1-40.617600000111.7A133 I134 L140 Q141A133-A137 WeakPolarHBondContact O-CB 3.48Å; A133-A137 PolarHBondContact O-N 2.88Å; I134-A137 WeakPolarHBondContact O-CB 3.47Å; I134-A137 PolarHBondContact O-N 3.15Å; I134-A137 VanDerWaalsContact O-N 3.15Å; A137-L140 PolarHBondContact O-N 2.94Å; A137-Q141 WeakPolarHBondContact O-CB 3.45Å; A137-Q141 PolarHBondContact O-N 3.08Å
138D91.7Very high90.9Very high28 Ų2883.1 Ų83.115%0.1541%0.41CS..Hα-helixtrans-62.9-47.3176.7-73.1-15.1000111.4Y93 K108 I134 E135 L140 Q141 E142Y93-D138 WeakPolarHBondContact CE2-OD2 3.48Å; Y93-D138 PolarHBondContact OH-OD2 3.47Å; K108-D138 IonicContact NZ-OD1 2.63Å; K108-D138 PolarHBondContact NZ-OD1 3.35Å; I134-D138 PolarHBondContact O-N 3.4Å; E135-D138 PolarHBondContact O-N 3.03Å; D138-L140 VanDerWaalsContact C-N 3.3Å; D138-L140 PolarHBondContact O-N 3.33Å; D138-Q141 WeakPolarHBondContact O-CB 3.47Å; D138-Q141 PolarHBondContact O-N 2.93Å; D138-Q141 VanDerWaalsContact O-N 3.17Å; D138-E142 WeakPolarHBondContact O-CG 3.29Å; D138-E142 PolarHBondContact O-N 3.02Å
139L93.3Very high90Very high104 Ų10478 Ų7855%0.54540%0.396SS..Hα-helixtrans-59.6-40.2175.9-70.9172.1000112.4E135 Y143E135-L139 WeakPolarHBondContact O-CG 3.46Å; E135-L139 PolarHBondContact O-N 2.96Å; L139-Y143 WeakPolarHBondContact O-CB 3.49Å; L139-Y143 PolarHBondContact O-N 2.92Å
140L91.9Very high88.8Confident103 Ų10382.5 Ų82.554%0.53941%0.407SS..Hα-helixtrans-67.3-41177.3-175.564.5000111.4Q136 A137 D138 Y143 I144Q136-L140 WeakPolarHBondContact O-CB 3.33Å; Q136-L140 PolarHBondContact O-N 3.38Å; Q136-L140 VanDerWaalsContact O-N 3.08Å; A137-L140 PolarHBondContact O-N 2.94Å; D138-L140 VanDerWaalsContact C-N 3.3Å; D138-L140 PolarHBondContact O-N 3.33Å; L140-Y143 PolarHBondContact O-N 3.38Å; L140-I144 HydrophobicContact CD1-CD1 4.33Å; L140-I144 HydrophobicContact CG-CD1 3.99Å; L140-I144 VanDerWaalsContact O-CG1 3.29Å; L140-I144 WeakPolarHBondContact O-CG1 3.42Å; L140-I144 PolarHBondContact O-N 3.25Å
141Q89.3Confident87.2Confident82 Ų8286.5 Ų86.538%0.38344%0.435SS..Hα-helixtrans-61.8-44.3177.1-173.5-178.6-16.100111.1K108 A137 D138 I144 N145K108-Q141 VanDerWaalsContact NZ-OE1 3.11Å; A137-Q141 WeakPolarHBondContact O-CB 3.45Å; A137-Q141 PolarHBondContact O-N 3.08Å; D138-Q141 WeakPolarHBondContact O-CB 3.47Å; D138-Q141 PolarHBondContact O-N 2.93Å; D138-Q141 VanDerWaalsContact O-N 3.17Å; Q141-I144 PolarHBondContact O-N 3.36Å; Q141-N145 WeakPolarHBondContact O-CB 3.46Å; Q141-N145 VanDerWaalsContact O-CG 3.3Å; Q141-N145 PolarHBondContact O-N 3.17Å; Q141-N145 PolarHBondContact O-ND2 3.35Å
142E89.4Confident85.5Confident130 Ų13090.1 Ų90.161%0.60746%0.458SS*.Hα-helixtrans-61.3-45.8175.2-72.6-179.1177.400112.1D138 I144 N145 D146D138-E142 WeakPolarHBondContact O-CG 3.29Å; D138-E142 PolarHBondContact O-N 3.02Å; E142-I144 VanDerWaalsContact C-N 3.34Å; E142-I144 PolarHBondContact O-N 2.92Å; E142-N145 PolarHBondContact O-N 3.41Å; E142-D146 PolarHBondContact O-N 3.24Å
143Y89.6Confident83.4Confident128 Ų12890.8 Ų90.850%0.50247%0.467SS..Hα-helixtrans-59.6-42.6177.7177.3-100.3000112.9L139 L140 K147L139-Y143 WeakPolarHBondContact O-CB 3.49Å; L139-Y143 PolarHBondContact O-N 2.92Å; L140-Y143 PolarHBondContact O-N 3.38Å; Y143-K147 HydrophobicContact CD1-CD 4.36Å; Y143-K147 HydrophobicContact CE1-CD 3.66Å; Y143-K147 HydrophobicContact CE1-CG 4.41Å; Y143-K147 PolarHBondContact O-N 2.69Å; Y143-K147 WeakPolarHBondContact OH-CE 3.35Å; Y143-K147 PolarHBondContact OH-NZ 3.3Å
144I87.7Confident81.2Confident82 Ų8293.6 Ų93.642%0.42148%0.483SS..Hα-helixtrans-65.3-43.7177.7-70.5167.6000110.4L140 Q141 E142 K147 L148L140-I144 HydrophobicContact CD1-CD1 4.33Å; L140-I144 HydrophobicContact CG-CD1 3.99Å; L140-I144 VanDerWaalsContact O-CG1 3.29Å; L140-I144 WeakPolarHBondContact O-CG1 3.42Å; L140-I144 PolarHBondContact O-N 3.25Å; Q141-I144 PolarHBondContact O-N 3.36Å; E142-I144 VanDerWaalsContact C-N 3.34Å; E142-I144 PolarHBondContact O-N 2.92Å; I144-K147 PolarHBondContact O-N 3.41Å; I144-L148 HydrophobicContact CG2-CD1 3.75Å; I144-L148 WeakPolarHBondContact O-CB 3.48Å; I144-L148 PolarHBondContact O-N 3Å
145N85.9Confident79.1Confident88 Ų8899.3 Ų99.347%0.47152%0.52SS..Hα-helixtrans-63-42.1178.1-75.2-16.5000112.2Q141 E142 L148 S149Q141-N145 WeakPolarHBondContact O-CB 3.46Å; Q141-N145 VanDerWaalsContact O-CG 3.3Å; Q141-N145 PolarHBondContact O-N 3.17Å; Q141-N145 PolarHBondContact O-ND2 3.35Å; E142-N145 PolarHBondContact O-N 3.41Å; N145-L148 PolarHBondContact O-N 3.03Å; N145-S149 WeakPolarHBondContact O-CB 3.47Å; N145-S149 PolarHBondContact O-N 3.04Å
146D85.6Confident77.1Confident65 Ų65100.3 Ų100.335%0.34853%0.529SS..Hα-helixtrans-62.9-45.8175.5-176.627.3000110.9E142 L148 S149 R150E142-D146 PolarHBondContact O-N 3.24Å; D146-L148 PolarHBondContact O-N 2.91Å; D146-S149 PolarHBondContact O-N 3.33Å; D146-S149 PolarHBondContact O-OG 3.13Å; D146-R150 WeakPolarHBondContact O-CG 3.4Å; D146-R150 PolarHBondContact O-N 2.78Å; D146-R150 IonicContact OD1-CZ 3.56Å; D146-R150 IonicContact OD1-NE 2.89Å; D146-R150 PolarHBondContact OD1-NE 3.4Å; D146-R150 IonicContact OD1-NH2 3.4Å; D146-R150 PolarHBondContact OD1-NH2 2.89Å; D146-R150 IonicContact OD2-CZ 3.19Å; D146-R150 IonicContact OD2-NE 3.25Å; D146-R150 PolarHBondContact OD2-NE 3Å; D146-R150 IonicContact OD2-NH2 2.69Å; D146-R150 PolarHBondContact OD2-NH2 3.32Å
147K81.1Confident75Confident116 Ų116101 Ų10150%0.50455%0.545SS..Hα-helixtrans-58.9-45174.5-88.1-170.5163.81770113.3Y143 I144 R150 S151Y143-K147 HydrophobicContact CD1-CD 4.36Å; Y143-K147 HydrophobicContact CE1-CD 3.66Å; Y143-K147 HydrophobicContact CE1-CG 4.41Å; Y143-K147 PolarHBondContact O-N 2.69Å; Y143-K147 WeakPolarHBondContact OH-CE 3.35Å; Y143-K147 PolarHBondContact OH-NZ 3.3Å; I144-K147 PolarHBondContact O-N 3.41Å; K147-R150 PolarHBondContact O-N 3.1Å; K147-S151 WeakPolarHBondContact O-CB 3Å; K147-S151 PolarHBondContact O-N 3.27Å; K147-S151 PolarHBondContact O-OG 2.96Å
148L77.1Confident72.8Confident93 Ų93106.7 Ų106.749%0.48757%0.567SS.*Hα-helixtrans-59.7-47.8176.4-83.8157000110.4I144 N145 D146 R150 S151 V152I144-L148 HydrophobicContact CG2-CD1 3.75Å; I144-L148 WeakPolarHBondContact O-CB 3.48Å; I144-L148 PolarHBondContact O-N 3Å; N145-L148 PolarHBondContact O-N 3.03Å; D146-L148 PolarHBondContact O-N 2.91Å; L148-R150 VanDerWaalsContact C-N 3.28Å; L148-R150 PolarHBondContact O-N 2.82Å; L148-S151 WeakPolarHBondContact CA-OG 3.27Å; L148-S151 PolarHBondContact O-N 2.7Å; L148-S151 VanDerWaalsContact O-N 3.1Å; L148-S151 PolarHBondContact O-OG 3.42Å; L148-V152 VanDerWaalsContact O-CG2 3.27Å; L148-V152 WeakPolarHBondContact O-CG2 3.47Å; L148-V152 PolarHBondContact O-N 3.24Å; L148-V152 VanDerWaalsContact O-N 3.13Å
149S76.6Confident70.4Confident68 Ų68118.1 Ų118.148%0.47662%0.62SS.*Hα-helixtrans-58.4-39.2178.478.40000112.8N145 D146N145-S149 WeakPolarHBondContact O-CB 3.47Å; N145-S149 PolarHBondContact O-N 3.04Å; D146-S149 PolarHBondContact O-N 3.33Å; D146-S149 PolarHBondContact O-OG 3.13Å
150R72.2Confident69.3Low172 Ų172118.9 Ų118.965%0.64962%0.624SS**Hα-helixtrans-72.2-32.2176.8-66.8176.5-166.7-158.24.4113.1D146 K147 L148D146-R150 WeakPolarHBondContact O-CG 3.4Å; D146-R150 PolarHBondContact O-N 2.78Å; D146-R150 IonicContact OD1-CZ 3.56Å; D146-R150 IonicContact OD1-NE 2.89Å; D146-R150 PolarHBondContact OD1-NE 3.4Å; D146-R150 IonicContact OD1-NH2 3.4Å; D146-R150 PolarHBondContact OD1-NH2 2.89Å; D146-R150 IonicContact OD2-CZ 3.19Å; D146-R150 IonicContact OD2-NE 3.25Å; D146-R150 PolarHBondContact OD2-NE 3Å; D146-R150 IonicContact OD2-NH2 2.69Å; D146-R150 PolarHBondContact OD2-NH2 3.32Å; K147-R150 PolarHBondContact O-N 3.1Å; L148-R150 VanDerWaalsContact C-N 3.28Å; L148-R150 PolarHBondContact O-N 2.82Å
151S61.4Low68.1Low85 Ų85119.7 Ų119.759%0.59463%0.628SS**Hα-helixtrans-77.5-18.5178.665.80000114.4K147 L148K147-S151 WeakPolarHBondContact O-CB 3Å; K147-S151 PolarHBondContact O-N 3.27Å; K147-S151 PolarHBondContact O-OG 2.96Å; L148-S151 WeakPolarHBondContact CA-OG 3.27Å; L148-S151 PolarHBondContact O-N 2.7Å; L148-S151 VanDerWaalsContact O-N 3.1Å; L148-S151 PolarHBondContact O-OG 3.42Å
152V58.6Low66.9Low110 Ų110121.8 Ų121.867%0.66764%0.642SS**THydrogen-bonded Turntrans-90.2-4.5-179.7179.20000112.5L148 P154L148-V152 VanDerWaalsContact O-CG2 3.27Å; L148-V152 WeakPolarHBondContact O-CG2 3.47Å; L148-V152 PolarHBondContact O-N 3.24Å; L148-V152 VanDerWaalsContact O-N 3.13Å; V152-P154 WeakPolarHBondContact O-CD 3.04Å
153L52.3Low65.6Low137 Ų137121.3 Ų121.372%0.71764%0.644SS**SBendtrans-85.5101.8166.4-77.9159.6000109.4
154P48.6Very low64.1Low84 Ų84120.9 Ų120.955%0.54565%0.653SS.*  trans-64.3148.4167.427.6-33000109.6V152 L156V152-P154 WeakPolarHBondContact O-CD 3.04Å; P154-L156 HydrophobicContact CB-CD1 4.29Å; P154-L156 HydrophobicContact CG-CD1 4.16Å; P154-L156 PolarHBondContact O-N 2.82Å
155P50.3Low62.5Low126 Ų126123.5 Ų123.582%0.81867%0.668SS**SBendtrans-70.482.8171.330.1-32.4000109.1
156L50.9Low60.8Low143 Ų143126 Ų12675%0.74968%0.682SS**  trans-122.913.4176.5-95.7160.1000113.2P154P154-L156 HydrophobicContact CB-CD1 4.29Å; P154-L156 HydrophobicContact CG-CD1 4.16Å; P154-L156 PolarHBondContact O-N 2.82Å
157C50.2Low58.9Low127 Ų127130.7 Ų130.786%0.85871%0.708SS**SBendtrans-123.738.7173.1-64.10000112.7
158L46.1Very low57.1Low169 Ų169131.9 Ų131.989%0.88573%0.725SS**  trans-135.864.4165.9-78.9168.7000109.3
159Q41.1Very low55.3Low269 Ų269135.5 Ų135.5100%1.25775%0.747SS**  trans-139.20155-81.6-170.1-29.900108.4

Retrieved 159 of 159 residues in 104.1 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).