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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 A0A671F796, Species RHIFE (Rhinolophus ferrumequinum, Greater horseshoe bat), Gene AP1S2, Length 157 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M95.8Very high97.7Very high19 Ų1936.9 Ų36.99%0.09417%0.174CC..  0138.20-174.1-171.9-5400112.5M4 Y19 C68 A69 I70 T79 I82 L117 G120 E121M1-M4 HydrophobicContact SD-CB 4.22Å; M1-Y19 HydrophobicContact SD-CE2 4.03Å; M1-C68 HydrophobicContact CE-CB 4.2Å; M1-C68 HydrophobicContact CG-CB 4.38Å; M1-C68 HydrophobicContact SD-CB 3.93Å; M1-A69 VanDerWaalsContact CG-O 3.28Å; M1-A69 WeakPolarHBondContact CG-O 3.48Å; M1-I70 HydrophobicContact CB-CG2 4.33Å; M1-I70 HydrophobicContact CG-CG2 4.13Å; M1-T79 HydrophobicContact CE-CG2 4.38Å; M1-I82 HydrophobicContact CE-CG2 4.14Å; M1-L117 HydrophobicContact CE-CD1 4.2Å; M1-G120 WeakPolarHBondContact CB-O 3.13Å; M1-G120 PolarHBondContact N-O 2.89Å; M1-G120 WeakPolarHBondContact O-CA 3.37Å; M1-E121 PolarHBondContact N-OE1 3Å
2Q97.8Very high97.7Very high43 Ų4343.7 Ų43.720%0.20120%0.202CC..  trans-87.9-41.2179.9-66.7-151.7-0.100114.9Y19 V20 L54 A69Q2-Y19 WeakPolarHBondContact O-CB 3.38Å; Q2-Y19 PolarHBondContact O-N 3.3Å; Q2-V20 HydrophobicContact CB-CG1 4.36Å; Q2-V20 HydrophobicContact CB-CG2 4.14Å; Q2-V20 HydrophobicContact CG-CG1 4.18Å; Q2-L54 HydrophobicContact CG-CD1 4.42Å; Q2-L54 HydrophobicContact CG-CD2 4.33Å; Q2-A69 HydrophobicContact CB-CB 4.48Å; Q2-A69 PolarHBondContact N-O 3.42Å
3F98.4Very high97.7Very high2 Ų245.1 Ų45.11%0.00921%0.212CC..EExtended strand (participates in β ladder)trans-160.2160.4176.957.2-98000112.2L5 K17 W18 I30 L34 W51 I56 C68 A69F3-L5 HydrophobicContact CD2-CD1 4.25Å; F3-L5 HydrophobicContact CD2-CD2 4.36Å; F3-L5 HydrophobicContact CD2-CG 3.91Å; F3-L5 HydrophobicContact CE2-CD1 4.05Å; F3-L5 HydrophobicContact CE2-CG 4.2Å; F3-K17 CarbonylContact C-O 3.53Å; F3-K17 WeakPolarHBondContact CA-O 3.48Å; F3-K17 WeakPolarHBondContact CB-O 3.18Å; F3-W18 HydrophobicContact CB-CD2 4.01Å; F3-W18 HydrophobicContact CB-CE3 3.49Å; F3-W18 VanDerWaalsContact CB-CE3 3.49Å; F3-W18 HydrophobicContact CB-CZ3 3.88Å; F3-W18 AromaticContact CD1-CE3 3.67Å; F3-W18 HydrophobicContact CD1-CE3 3.67Å; F3-W18 HydrophobicContact CD1-CH2 4.25Å; F3-W18 AromaticContact CD1-CZ3 3.31Å; F3-W18 HydrophobicContact CD1-CZ3 3.31Å; F3-W18 HydrophobicContact CD2-CH2 4.45Å; F3-W18 HydrophobicContact CD2-CZ3 4.17Å; F3-W18 HydrophobicContact CE1-CH2 4.49Å; F3-W18 AromaticContact CE1-CZ3 3.78Å; F3-W18 HydrophobicContact CE1-CZ3 3.78Å; F3-W18 AromaticContact CG-CE3 3.7Å; F3-W18 HydrophobicContact CG-CE3 3.7Å; F3-W18 HydrophobicContact CG-CH2 4.22Å; F3-W18 AromaticContact CG-CZ3 3.52Å; F3-W18 HydrophobicContact CG-CZ3 3.52Å; F3-W18 HydrophobicContact CZ-CZ3 4.37Å; F3-I30 HydrophobicContact CE1-CG2 4.1Å; F3-I30 HydrophobicContact CE2-CG2 4.35Å; F3-I30 HydrophobicContact CZ-CG2 3.69Å; F3-L34 HydrophobicContact CE2-CD1 3.6Å; F3-L34 HydrophobicContact CZ-CD1 3.48Å; F3-L34 VanDerWaalsContact CZ-CD1 3.48Å; F3-W51 HydrophobicContact CZ-CZ3 4.37Å; F3-I56 HydrophobicContact CZ-CD1 4.38Å; F3-C68 WeakPolarHBondContact O-CA 3.37Å; F3-A69 HydrophobicContact CD1-CB 3.81Å; F3-A69 HydrophobicContact CD2-CB 3.97Å; F3-A69 HydrophobicContact CE1-CB 3.39Å; F3-A69 HydrophobicContact CE2-CB 3.56Å; F3-A69 HydrophobicContact CG-CB 4.09Å; F3-A69 HydrophobicContact CZ-CB 3.26Å; F3-A69 PolarHBondContact O-N 2.82Å
4M98.6Very high97.7Very high0 Ų045.9 Ų45.90%021%0.212CC..EExtended strand (participates in β ladder)trans-128.7129.8173.4-176.6169.3-170.700110.3M1 L6 Q16 K17 F66 C67 I83 Y86 L113 L117M1-M4 HydrophobicContact SD-CB 4.22Å; M4-L6 HydrophobicContact CE-CD1 3.93Å; M4-L6 HydrophobicContact CG-CD1 4.09Å; M4-Q16 WeakPolarHBondContact O-CA 3.36Å; M4-K17 PolarHBondContact N-O 3.05Å; M4-K17 PolarHBondContact O-N 3.09Å; M4-F66 HydrophobicContact CE-CD1 3.78Å; M4-C67 CarbonylContact C-O 3.52Å; M4-C67 WeakPolarHBondContact CA-O 3.39Å; M4-I83 HydrophobicContact CE-CG1 4.45Å; M4-Y86 HydrophobicContact CE-CD1 3.53Å; M4-Y86 HydrophobicContact CE-CE1 4.08Å; M4-Y86 HydrophobicContact CE-CG 4.34Å; M4-Y86 HydrophobicContact SD-CD1 4.49Å; M4-L113 HydrophobicContact SD-CD1 3.82Å; M4-L113 HydrophobicContact SD-CD2 4.41Å; M4-L117 HydrophobicContact SD-CD1 4.45Å
5L98.6Very high97.8Very high0 Ų042.9 Ų42.90%020%0.198CC..EExtended strand (participates in β ladder)trans-120134.9178-54.4178.1000109.9F3 F7 L13 L15 Q16 W18 T31 C67F3-L5 HydrophobicContact CD2-CD1 4.25Å; F3-L5 HydrophobicContact CD2-CD2 4.36Å; F3-L5 HydrophobicContact CD2-CG 3.91Å; F3-L5 HydrophobicContact CE2-CD1 4.05Å; F3-L5 HydrophobicContact CE2-CG 4.2Å; L5-F7 HydrophobicContact CB-CD1 4.2Å; L5-F7 HydrophobicContact CB-CE1 4.41Å; L5-L13 HydrophobicContact CB-CD1 4.4Å; L5-L13 HydrophobicContact CD2-CD1 4.35Å; L5-L15 WeakPolarHBondContact CA-O 3.5Å; L5-Q16 HydrophobicContact CD2-CB 3.65Å; L5-W18 HydrophobicContact CD2-CZ2 4.13Å; L5-T31 HydrophobicContact CD1-CG2 4.46Å; L5-C67 HydrophobicContact CB-CB 4.34Å; L5-C67 PolarHBondContact N-O 2.87Å; L5-C67 PolarHBondContact O-N 2.68Å
6L98.5Very high97.8Very high0 Ų044.8 Ų44.80%021%0.207CC..EExtended strand (participates in β ladder)trans-113.8129.2164.3-77.460.6000109.1M4 L13 R14 L15 Y65 F66 Y86M4-L6 HydrophobicContact CE-CD1 3.93Å; M4-L6 HydrophobicContact CG-CD1 4.09Å; L6-L13 WeakPolarHBondContact O-CD1 3.49Å; L6-R14 HydrophobicContact CB-CB 4.25Å; L6-R14 PolarHBondContact O-N 3.29Å; L6-L15 HydrophobicContact CB-CB 3.92Å; L6-L15 HydrophobicContact CD1-CB 4.19Å; L6-L15 HydrophobicContact CD1-CD2 4.18Å; L6-L15 HydrophobicContact CD2-CB 4.16Å; L6-L15 HydrophobicContact CG-CB 4.31Å; L6-L15 PolarHBondContact N-O 3.14Å; L6-L15 PolarHBondContact O-N 3.32Å; L6-Y65 VanDerWaalsContact CA-O 3.28Å; L6-Y65 WeakPolarHBondContact CA-O 3.24Å; L6-F66 HydrophobicContact CD1-CD1 3.67Å; L6-F66 HydrophobicContact CD1-CE1 3.97Å; L6-F66 HydrophobicContact CD1-CG 4.41Å; L6-F66 HydrophobicContact CD2-CD1 3.99Å; L6-F66 HydrophobicContact CD2-CE1 3.42Å; L6-F66 VanDerWaalsContact CD2-CE1 3.42Å; L6-F66 HydrophobicContact CD2-CZ 3.76Å; L6-F66 HydrophobicContact CG-CD1 3.62Å; L6-F66 HydrophobicContact CG-CE1 3.61Å; L6-F66 HydrophobicContact CG-CG 4.14Å; L6-F66 HydrophobicContact CG-CZ 4.1Å; L6-Y86 HydrophobicContact CD1-CE1 4.38Å; L6-Y86 HydrophobicContact CD2-CE1 4.24Å
7F98.6Very high97.8Very high0 Ų044.8 Ų44.80%021%0.207CC..EExtended strand (participates in β ladder)trans-146.1152.3176.953.4-87.9000112.1L5 K12 L13 V35 V38 L39 Y65 C67L5-F7 HydrophobicContact CB-CD1 4.2Å; L5-F7 HydrophobicContact CB-CE1 4.41Å; F7-K12 CarbonylContact C-O 3.53Å; F7-K12 WeakPolarHBondContact CA-O 3.27Å; F7-K12 WeakPolarHBondContact CB-O 3.47Å; F7-L13 HydrophobicContact CB-CD1 4.46Å; F7-V35 HydrophobicContact CB-CG2 4.23Å; F7-V35 HydrophobicContact CD1-CG2 3.69Å; F7-V35 HydrophobicContact CD2-CB 4.42Å; F7-V35 HydrophobicContact CD2-CG1 3.93Å; F7-V35 HydrophobicContact CD2-CG2 4.01Å; F7-V35 HydrophobicContact CE1-CG2 3.95Å; F7-V35 HydrophobicContact CE2-CB 4.44Å; F7-V35 HydrophobicContact CE2-CG1 4.19Å; F7-V35 HydrophobicContact CE2-CG2 4.25Å; F7-V35 HydrophobicContact CG-CG1 4.37Å; F7-V35 HydrophobicContact CG-CG2 3.72Å; F7-V35 HydrophobicContact CZ-CG2 4.22Å; F7-V38 HydrophobicContact CE2-CB 4.38Å; F7-V38 HydrophobicContact CE2-CG1 4.22Å; F7-V38 HydrophobicContact CZ-CB 3.9Å; F7-V38 HydrophobicContact CZ-CG1 3.85Å; F7-V38 HydrophobicContact CZ-CG2 4.39Å; F7-L39 HydrophobicContact CD2-CD2 4.46Å; F7-L39 HydrophobicContact CE2-CD2 4.14Å; F7-L39 HydrophobicContact CE2-CG 4.1Å; F7-Y65 HydrophobicContact CD2-CD2 4.32Å; F7-Y65 HydrophobicContact CD2-CG 4.27Å; F7-Y65 VanDerWaalsContact CE2-CB 3.43Å; F7-Y65 HydrophobicContact CE2-CD1 4.42Å; F7-Y65 HydrophobicContact CE2-CD2 4.13Å; F7-Y65 AromaticContact CE2-CG 3.76Å; F7-Y65 HydrophobicContact CE2-CG 3.76Å; F7-Y65 HydrophobicContact CZ-CG 4.27Å; F7-Y65 PolarHBondContact N-O 3.24Å; F7-Y65 PolarHBondContact O-N 2.78Å; F7-C67 HydrophobicContact CE1-CB 3.74Å; F7-C67 HydrophobicContact CZ-CB 4.38Å
8S98Very high97.9Very high1 Ų144.3 Ų44.31%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-76.9167.8179.682.20000112.2Q10 G11 K12 S63 E99S8-Q10 PolarHBondContact O-N 3.49Å; S8-Q10 VanDerWaalsContact O-N 3.08Å; S8-Q10 PolarHBondContact OG-N 3.26Å; S8-Q10 VanDerWaalsContact OG-N 3.14Å; S8-G11 WeakPolarHBondContact O-CA 3.46Å; S8-G11 PolarHBondContact O-N 2.85Å; S8-K12 PolarHBondContact N-O 3.43Å; S8-K12 PolarHBondContact OG-N 2.93Å; S8-S63 CarbonylContact C-O 3.48Å; S8-E99 WeakPolarHBondContact CB-OE1 3.33Å
9R96.5Very high97.9Very high169 Ų16944.1 Ų44.164%0.63820%0.2SC*.THydrogen-bonded Turntrans-55.3-22.9169.6-174.6177.1171.7-176.3-2.3113.8G11 S63 Y65R9-G11 VanDerWaalsContact C-N 3.28Å; R9-S63 PolarHBondContact N-O 2.63Å; R9-Y65 HydrophobicContact CB-CE2 4.34Å
10Q96.4Very high97.8Very high143 Ų14344 Ų4467%0.66820%0.203SC*.THydrogen-bonded Turntrans-87.61.7176.7-60.6143.312.200112.3S8 K12S8-Q10 PolarHBondContact O-N 3.49Å; S8-Q10 VanDerWaalsContact O-N 3.08Å; S8-Q10 PolarHBondContact OG-N 3.26Å; S8-Q10 VanDerWaalsContact OG-N 3.14Å; Q10-K12 VanDerWaalsContact C-N 3.32Å; Q10-K12 HydrophobicContact CB-CG 4.49Å
11G97.1Very high97.8Very high29 Ų2948.2 Ų48.230%0.29923%0.234SC..  trans77.613.4-176.900000114.4S8 R9S8-G11 WeakPolarHBondContact O-CA 3.46Å; S8-G11 PolarHBondContact O-N 2.85Å; R9-G11 VanDerWaalsContact C-N 3.28Å
12K97.7Very high97.8Very high118 Ų11849.5 Ų49.551%0.51324%0.241SC..  trans-79.2122.3175.4-65.4-174.1177.9-179.60109.5F7 S8 Q10F7-K12 CarbonylContact C-O 3.53Å; F7-K12 WeakPolarHBondContact CA-O 3.27Å; F7-K12 WeakPolarHBondContact CB-O 3.47Å; S8-K12 PolarHBondContact N-O 3.43Å; S8-K12 PolarHBondContact OG-N 2.93Å; Q10-K12 VanDerWaalsContact C-N 3.32Å; Q10-K12 HydrophobicContact CB-CG 4.49Å
13L98.1Very high97.8Very high62 Ų6250.1 Ų50.133%0.32525%0.25SS..EExtended strand (participates in β ladder)trans-68.7136.1176.5-165.171.4000110.4L5 L6 F7 Q16 T31L5-L13 HydrophobicContact CB-CD1 4.4Å; L5-L13 HydrophobicContact CD2-CD1 4.35Å; L6-L13 WeakPolarHBondContact O-CD1 3.49Å; F7-L13 HydrophobicContact CB-CD1 4.46Å; L13-Q16 HydrophobicContact CD1-CB 4.49Å; L13-Q16 HydrophobicContact CD2-CB 3.94Å; L13-Q16 HydrophobicContact CD2-CG 3.72Å; L13-T31 HydrophobicContact CD1-CG2 3.88Å; L13-T31 HydrophobicContact CD2-CG2 4.2Å
14R98.1Very high97.7Very high56 Ų5655.2 Ų55.221%0.21128%0.278CS..EExtended strand (participates in β ladder)trans-113.8-37178-55.4-52.5-177.8-172.55.8111.9L6 L64 E99 I102L6-R14 HydrophobicContact CB-CB 4.25Å; L6-R14 PolarHBondContact O-N 3.29Å; R14-L64 HydrophobicContact CG-CD2 3.85Å; R14-E99 IonicContact CZ-OE1 2.87Å; R14-E99 VanDerWaalsContact CZ-OE1 3.22Å; R14-E99 IonicContact NE-OE1 2.77Å; R14-E99 PolarHBondContact NE-OE1 3.12Å; R14-E99 IonicContact NH2-OE1 3.86Å; R14-E99 PolarHBondContact NH2-OE1 3.37Å; R14-I102 HydrophobicContact CB-CG2 4.17Å
15L98.4Very high97.7Very high1 Ų163.7 Ų63.71%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-146.1142.7176.9-170.5148.9000109.4L5 L6 K17 A109 Y110 L113L5-L15 WeakPolarHBondContact CA-O 3.5Å; L6-L15 HydrophobicContact CB-CB 3.92Å; L6-L15 HydrophobicContact CD1-CB 4.19Å; L6-L15 HydrophobicContact CD1-CD2 4.18Å; L6-L15 HydrophobicContact CD2-CB 4.16Å; L6-L15 HydrophobicContact CG-CB 4.31Å; L6-L15 PolarHBondContact N-O 3.14Å; L6-L15 PolarHBondContact O-N 3.32Å; L15-K17 HydrophobicContact CD2-CB 4.16Å; L15-A109 HydrophobicContact CD1-CB 4.17Å; L15-Y110 HydrophobicContact CD1-CD1 4.19Å; L15-Y110 HydrophobicContact CD1-CD2 4.17Å; L15-Y110 HydrophobicContact CD1-CE1 4.23Å; L15-Y110 HydrophobicContact CD1-CE2 4.19Å; L15-Y110 HydrophobicContact CD1-CG 4.16Å; L15-Y110 HydrophobicContact CD2-CE1 4.03Å; L15-Y110 HydrophobicContact CG-CD1 4.2Å; L15-Y110 HydrophobicContact CG-CD2 4.39Å; L15-Y110 HydrophobicContact CG-CE1 3.73Å; L15-Y110 HydrophobicContact CG-CE2 3.93Å; L15-L113 HydrophobicContact CD1-CD2 4.28Å; L15-L113 HydrophobicContact CD2-CD2 3.67Å
16Q98.1Very high97.7Very high74 Ų7468.2 Ų68.235%0.34634%0.336SS..EExtended strand (participates in β ladder)trans-140.3111.4168.150.91707.300110.4M4 L5 L13 Y110M4-Q16 WeakPolarHBondContact O-CA 3.36Å; L5-Q16 HydrophobicContact CD2-CB 3.65Å; L13-Q16 HydrophobicContact CD1-CB 4.49Å; L13-Q16 HydrophobicContact CD2-CB 3.94Å; L13-Q16 HydrophobicContact CD2-CG 3.72Å; Q16-Y110 PolarHBondContact N-OH 2.82Å; Q16-Y110 PolarHBondContact O-OH 3.41Å
17K98.3Very high97.7Very high45 Ų4570.3 Ų70.320%0.19635%0.345CS..EExtended strand (participates in β ladder)trans-107.7122172.9-168.873.6177.9-166.70108.7F3 M4 L15 Y19 Y110 L113 D114F3-K17 CarbonylContact C-O 3.53Å; F3-K17 WeakPolarHBondContact CA-O 3.48Å; F3-K17 WeakPolarHBondContact CB-O 3.18Å; M4-K17 PolarHBondContact N-O 3.05Å; M4-K17 PolarHBondContact O-N 3.09Å; L15-K17 HydrophobicContact CD2-CB 4.16Å; K17-Y19 HydrophobicContact CB-CE2 4.48Å; K17-Y19 HydrophobicContact CD-CE1 4.45Å; K17-Y19 HydrophobicContact CG-CD1 4.29Å; K17-Y19 HydrophobicContact CG-CE1 3.65Å; K17-Y19 HydrophobicContact CG-CE2 4Å; K17-Y19 VanDerWaalsContact CG-CZ 3.48Å; K17-Y110 HydrophobicContact CD-CD1 4.37Å; K17-Y110 HydrophobicContact CD-CE1 4.45Å; K17-L113 HydrophobicContact CB-CD2 3.75Å; K17-L113 HydrophobicContact CG-CD2 4.06Å; K17-D114 WeakPolarHBondContact CE-OD1 3.37Å; K17-D114 IonicContact NZ-OD1 3.22Å; K17-D114 PolarHBondContact NZ-OD1 3.16Å; K17-D114 IonicContact NZ-OD2 3.76Å; K17-D114 PolarHBondContact NZ-OD2 2.92Å
18W98.4Very high97.6Very high36 Ų3677.1 Ų77.114%0.13638%0.375CS..EExtended strand (participates in β ladder)trans-110.8117.8177.9-60.591000108.1F3 L5 L22 K27 I30F3-W18 HydrophobicContact CB-CD2 4.01Å; F3-W18 HydrophobicContact CB-CE3 3.49Å; F3-W18 VanDerWaalsContact CB-CE3 3.49Å; F3-W18 HydrophobicContact CB-CZ3 3.88Å; F3-W18 AromaticContact CD1-CE3 3.67Å; F3-W18 HydrophobicContact CD1-CE3 3.67Å; F3-W18 HydrophobicContact CD1-CH2 4.25Å; F3-W18 AromaticContact CD1-CZ3 3.31Å; F3-W18 HydrophobicContact CD1-CZ3 3.31Å; F3-W18 HydrophobicContact CD2-CH2 4.45Å; F3-W18 HydrophobicContact CD2-CZ3 4.17Å; F3-W18 HydrophobicContact CE1-CH2 4.49Å; F3-W18 AromaticContact CE1-CZ3 3.78Å; F3-W18 HydrophobicContact CE1-CZ3 3.78Å; F3-W18 AromaticContact CG-CE3 3.7Å; F3-W18 HydrophobicContact CG-CE3 3.7Å; F3-W18 HydrophobicContact CG-CH2 4.22Å; F3-W18 AromaticContact CG-CZ3 3.52Å; F3-W18 HydrophobicContact CG-CZ3 3.52Å; F3-W18 HydrophobicContact CZ-CZ3 4.37Å; L5-W18 HydrophobicContact CD2-CZ2 4.13Å; W18-L22 HydrophobicContact CE3-CD1 3.61Å; W18-L22 HydrophobicContact CZ3-CD1 3.6Å; W18-K27 HydrophobicContact CD2-CB 4.49Å; W18-K27 HydrophobicContact CD2-CD 4.09Å; W18-K27 HydrophobicContact CD2-CG 3.77Å; W18-K27 HydrophobicContact CE3-CG 4.21Å; W18-K27 HydrophobicContact CG-CD 4.01Å; W18-K27 HydrophobicContact CG-CG 4.22Å; W18-K27 HydrophobicContact CH2-CB 4.19Å; W18-K27 HydrophobicContact CH2-CG 4.25Å; W18-K27 HydrophobicContact CZ2-CB 3.61Å; W18-K27 HydrophobicContact CZ2-CG 3.81Å; W18-K27 HydrophobicContact CZ3-CG 4.42Å; W18-I30 HydrophobicContact CH2-CB 3.98Å; W18-I30 HydrophobicContact CH2-CD1 4.42Å; W18-I30 HydrophobicContact CH2-CG2 3.81Å; W18-I30 HydrophobicContact CZ3-CD1 4.27Å; W18-I30 HydrophobicContact CZ3-CG2 4.25Å
19Y98.1Very high97.6Very high39 Ų3983.2 Ų83.215%0.15340%0.401CS..SBendtrans-92.7-10.2178.7-59.8-70.5000112.4M1 Q2 K17 L117 G120M1-Y19 HydrophobicContact SD-CE2 4.03Å; Q2-Y19 WeakPolarHBondContact O-CB 3.38Å; Q2-Y19 PolarHBondContact O-N 3.3Å; K17-Y19 HydrophobicContact CB-CE2 4.48Å; K17-Y19 HydrophobicContact CD-CE1 4.45Å; K17-Y19 HydrophobicContact CG-CD1 4.29Å; K17-Y19 HydrophobicContact CG-CE1 3.65Å; K17-Y19 HydrophobicContact CG-CE2 4Å; K17-Y19 VanDerWaalsContact CG-CZ 3.48Å; Y19-L117 VanDerWaalsContact OH-CB 3.31Å; Y19-L117 WeakPolarHBondContact OH-CB 3.34Å; Y19-G120 VanDerWaalsContact CG-CA 3.44Å; Y19-G120 VanDerWaalsContact CG-N 3.33Å
20V97Very high97.7Very high42 Ų4275.9 Ų75.926%0.25537%0.374SS..SBendtrans-111.8145174.1-66.80000111.4Q2 L22Q2-V20 HydrophobicContact CB-CG1 4.36Å; Q2-V20 HydrophobicContact CB-CG2 4.14Å; Q2-V20 HydrophobicContact CG-CG1 4.18Å; V20-L22 HydrophobicContact CG2-CD1 3.99Å; V20-L22 HydrophobicContact CG2-CD2 4.5Å; V20-L22 HydrophobicContact CG2-CG 3.97Å; V20-L22 PolarHBondContact O-N 3.4Å; V20-L22 VanDerWaalsContact O-N 3.13Å
21P96.4Very high97.8Very high133 Ų13369.9 Ų69.986%0.86435%0.347SS*.  trans-73.9105.4179.429.9-33.5000110.4
22L96.6Very high97.8Very high46 Ų4676.4 Ų76.424%0.24136%0.363CS..  trans-121.7150.3175.5-62.5175.8000110.9W18 V20 K27 I30W18-L22 HydrophobicContact CE3-CD1 3.61Å; W18-L22 HydrophobicContact CZ3-CD1 3.6Å; V20-L22 HydrophobicContact CG2-CD1 3.99Å; V20-L22 HydrophobicContact CG2-CD2 4.5Å; V20-L22 HydrophobicContact CG2-CG 3.97Å; V20-L22 PolarHBondContact O-N 3.4Å; V20-L22 VanDerWaalsContact O-N 3.13Å; L22-K27 HydrophobicContact CB-CG 3.92Å; L22-K27 WeakPolarHBondContact O-CE 3.5Å; L22-K27 PolarHBondContact O-NZ 3.48Å; L22-I30 HydrophobicContact CD1-CD1 3.96Å
23S98Very high97.8Very high56 Ų5673.7 Ų73.739%0.39235%0.352SS..  trans-68.5151.7172.971.60000111.3K25 E26 K27S23-K25 PolarHBondContact O-N 3Å; S23-K25 VanDerWaalsContact O-N 3.16Å; S23-E26 VanDerWaalsContact CB-OE2 3.28Å; S23-E26 WeakPolarHBondContact CB-OE2 3.39Å; S23-E26 PolarHBondContact N-OE2 2.98Å; S23-E26 WeakPolarHBondContact O-CB 3.33Å; S23-E26 PolarHBondContact O-N 3.41Å; S23-E26 VanDerWaalsContact OG-CD 3.3Å; S23-E26 VanDerWaalsContact OG-CG 3.27Å; S23-E26 WeakPolarHBondContact OG-CG 3.4Å; S23-E26 PolarHBondContact OG-N 3.43Å; S23-E26 PolarHBondContact OG-OE2 3.43Å; S23-K27 WeakPolarHBondContact O-CG 3.49Å; S23-K27 PolarHBondContact O-N 3.16Å
24D97.3Very high97.8Very high109 Ų10970.7 Ų70.758%0.58334%0.336SS*.Hα-helixtrans-61.3-28.2178.6-69.5-20.5000113.1K27 K28D24-K27 IonicContact OD1-NZ 2.63Å; D24-K28 WeakPolarHBondContact O-CB 3.43Å; D24-K28 VanDerWaalsContact O-CG 3.23Å; D24-K28 WeakPolarHBondContact O-CG 3.25Å; D24-K28 PolarHBondContact O-N 2.96Å
25K98Very high97.8Very high178 Ų17868.6 Ų68.677%0.77433%0.33SS*.Hα-helixtrans-64.7-44.7174-175-179.1178.5-177.30110.9S23 K29S23-K25 PolarHBondContact O-N 3Å; S23-K25 VanDerWaalsContact O-N 3.16Å; K25-K29 WeakPolarHBondContact O-CB 3.45Å; K25-K29 PolarHBondContact O-N 3.26Å; K25-K29 VanDerWaalsContact O-N 3.1Å
26E97.5Very high97.8Very high95 Ų9574.8 Ų74.844%0.44436%0.358SS..Hα-helixtrans-67.8-47.9177.4-71.1165.1123.900111.2S23 K28 K29 I30S23-E26 VanDerWaalsContact CB-OE2 3.28Å; S23-E26 WeakPolarHBondContact CB-OE2 3.39Å; S23-E26 PolarHBondContact N-OE2 2.98Å; S23-E26 WeakPolarHBondContact O-CB 3.33Å; S23-E26 PolarHBondContact O-N 3.41Å; S23-E26 VanDerWaalsContact OG-CD 3.3Å; S23-E26 VanDerWaalsContact OG-CG 3.27Å; S23-E26 WeakPolarHBondContact OG-CG 3.4Å; S23-E26 PolarHBondContact OG-N 3.43Å; S23-E26 PolarHBondContact OG-OE2 3.43Å; E26-K28 VanDerWaalsContact C-N 3.32Å; E26-K28 PolarHBondContact O-N 3.17Å; E26-K29 WeakPolarHBondContact O-CB 3.47Å; E26-K29 PolarHBondContact O-N 3.46Å; E26-I30 VanDerWaalsContact O-CG1 3.29Å; E26-I30 WeakPolarHBondContact O-CG1 3.07Å; E26-I30 PolarHBondContact O-N 3.12Å
27K98.2Very high97.8Very high44 Ų4474 Ų7419%0.19136%0.359CS..Hα-helixtrans-51.9-50.2175.8-67.3175.5179.2160.60111.3W18 L22 S23 D24 K29 I30 T31W18-K27 HydrophobicContact CD2-CB 4.49Å; W18-K27 HydrophobicContact CD2-CD 4.09Å; W18-K27 HydrophobicContact CD2-CG 3.77Å; W18-K27 HydrophobicContact CE3-CG 4.21Å; W18-K27 HydrophobicContact CG-CD 4.01Å; W18-K27 HydrophobicContact CG-CG 4.22Å; W18-K27 HydrophobicContact CH2-CB 4.19Å; W18-K27 HydrophobicContact CH2-CG 4.25Å; W18-K27 HydrophobicContact CZ2-CB 3.61Å; W18-K27 HydrophobicContact CZ2-CG 3.81Å; W18-K27 HydrophobicContact CZ3-CG 4.42Å; L22-K27 HydrophobicContact CB-CG 3.92Å; L22-K27 WeakPolarHBondContact O-CE 3.5Å; L22-K27 PolarHBondContact O-NZ 3.48Å; S23-K27 WeakPolarHBondContact O-CG 3.49Å; S23-K27 PolarHBondContact O-N 3.16Å; D24-K27 IonicContact OD1-NZ 2.63Å; K27-K29 VanDerWaalsContact C-N 3.34Å; K27-K29 PolarHBondContact O-N 2.79Å; K27-I30 PolarHBondContact O-N 2.75Å; K27-T31 WeakPolarHBondContact O-CB 3.29Å; K27-T31 PolarHBondContact O-N 3.37Å; K27-T31 PolarHBondContact O-OG1 3.27Å
28K97.8Very high97.7Very high144 Ų14471.9 Ų71.963%0.62635%0.35SS*.Hα-helixtrans-61.3-39.3177.7-74.2174.3-175.2176.90113D24 E26 R32D24-K28 WeakPolarHBondContact O-CB 3.43Å; D24-K28 VanDerWaalsContact O-CG 3.23Å; D24-K28 WeakPolarHBondContact O-CG 3.25Å; D24-K28 PolarHBondContact O-N 2.96Å; E26-K28 VanDerWaalsContact C-N 3.32Å; E26-K28 PolarHBondContact O-N 3.17Å; K28-R32 WeakPolarHBondContact O-CB 3.42Å; K28-R32 PolarHBondContact O-N 3.01Å; K28-R32 VanDerWaalsContact O-N 3.15Å
29K97.9Very high97.7Very high129 Ų12972.7 Ų72.756%0.56136%0.357SS*.Hα-helixtrans-65.1-50.7177.4-177.2-176.4175.3-173.10110.7K25 E26 K27 R32 E33K25-K29 WeakPolarHBondContact O-CB 3.45Å; K25-K29 PolarHBondContact O-N 3.26Å; K25-K29 VanDerWaalsContact O-N 3.1Å; E26-K29 WeakPolarHBondContact O-CB 3.47Å; E26-K29 PolarHBondContact O-N 3.46Å; K27-K29 VanDerWaalsContact C-N 3.34Å; K27-K29 PolarHBondContact O-N 2.79Å; K29-R32 PolarHBondContact O-N 3.2Å; K29-E33 WeakPolarHBondContact O-CB 3.37Å; K29-E33 PolarHBondContact O-N 3.43Å
30I98Very high97.6Very high14 Ų1475 Ų757%0.07238%0.384CS..Hα-helixtrans-60.9-50.1-179.4-65.4172.6000110.4F3 W18 L22 E26 K27 R32 E33 L34 W51F3-I30 HydrophobicContact CE1-CG2 4.1Å; F3-I30 HydrophobicContact CE2-CG2 4.35Å; F3-I30 HydrophobicContact CZ-CG2 3.69Å; W18-I30 HydrophobicContact CH2-CB 3.98Å; W18-I30 HydrophobicContact CH2-CD1 4.42Å; W18-I30 HydrophobicContact CH2-CG2 3.81Å; W18-I30 HydrophobicContact CZ3-CD1 4.27Å; W18-I30 HydrophobicContact CZ3-CG2 4.25Å; L22-I30 HydrophobicContact CD1-CD1 3.96Å; E26-I30 VanDerWaalsContact O-CG1 3.29Å; E26-I30 WeakPolarHBondContact O-CG1 3.07Å; E26-I30 PolarHBondContact O-N 3.12Å; K27-I30 PolarHBondContact O-N 2.75Å; I30-R32 VanDerWaalsContact C-N 3.33Å; I30-R32 PolarHBondContact O-N 3.2Å; I30-E33 PolarHBondContact O-N 3.27Å; I30-L34 HydrophobicContact CG2-CD1 3.79Å; I30-L34 HydrophobicContact CG2-CG 4.4Å; I30-L34 WeakPolarHBondContact O-CB 3.39Å; I30-L34 PolarHBondContact O-N 3.4Å; I30-W51 HydrophobicContact CB-CH2 4.26Å; I30-W51 HydrophobicContact CD1-CH2 4.27Å; I30-W51 HydrophobicContact CG1-CH2 3.88Å; I30-W51 HydrophobicContact CG1-CZ2 4.39Å; I30-W51 HydrophobicContact CG2-CH2 3.62Å; I30-W51 HydrophobicContact CG2-CZ2 4.14Å; I30-W51 HydrophobicContact CG2-CZ3 4.34Å
31T98.2Very high97.7Very high17 Ų1775.8 Ų75.810%0.10438%0.382CS..Hα-helixtrans-56.9-46.8178.8-62.20000111.4L5 L13 K27 E33 V35L5-T31 HydrophobicContact CD1-CG2 4.46Å; L13-T31 HydrophobicContact CD1-CG2 3.88Å; L13-T31 HydrophobicContact CD2-CG2 4.2Å; K27-T31 WeakPolarHBondContact O-CB 3.29Å; K27-T31 PolarHBondContact O-N 3.37Å; K27-T31 PolarHBondContact O-OG1 3.27Å; T31-E33 PolarHBondContact O-N 2.94Å; T31-V35 HydrophobicContact CG2-CG2 4.1Å; T31-V35 VanDerWaalsContact O-CB 3.22Å; T31-V35 WeakPolarHBondContact O-CB 3.38Å; T31-V35 WeakPolarHBondContact O-CG2 3.42Å; T31-V35 PolarHBondContact O-N 3.02Å
32R97.9Very high97.6Very high166 Ų16677 Ų7763%0.62637%0.373SS*.Hα-helixtrans-61.4-47.6179.3-174.3-174.5-59.6157.31.4111.8K28 K29 I30 Q36K28-R32 WeakPolarHBondContact O-CB 3.42Å; K28-R32 PolarHBondContact O-N 3.01Å; K28-R32 VanDerWaalsContact O-N 3.15Å; K29-R32 PolarHBondContact O-N 3.2Å; I30-R32 VanDerWaalsContact C-N 3.33Å; I30-R32 PolarHBondContact O-N 3.2Å; R32-Q36 WeakPolarHBondContact O-CB 3.28Å; R32-Q36 VanDerWaalsContact O-CG 3.25Å; R32-Q36 WeakPolarHBondContact O-CG 3.5Å; R32-Q36 PolarHBondContact O-N 3.5Å; R32-Q36 VanDerWaalsContact O-N 3.13Å
33E97.6Very high97.3Very high61 Ų6181 Ų8129%0.28540%0.402SS..Hα-helixtrans-62.1-49.2-178.5-174-176.9154.700111.7K29 I30 T31 Q36 T37 W51 R52K29-E33 WeakPolarHBondContact O-CB 3.37Å; K29-E33 PolarHBondContact O-N 3.43Å; I30-E33 PolarHBondContact O-N 3.27Å; T31-E33 PolarHBondContact O-N 2.94Å; E33-Q36 PolarHBondContact O-N 3.49Å; E33-T37 WeakPolarHBondContact O-CB 3.44Å; E33-T37 PolarHBondContact O-N 2.88Å; E33-T37 PolarHBondContact O-OG1 3.34Å; E33-W51 PolarHBondContact OE1-NE1 2.82Å; E33-R52 IonicContact OE1-NH2 3.08Å; E33-R52 IonicContact OE2-CZ 2.67Å; E33-R52 IonicContact OE2-NH2 3.74Å; E33-R52 PolarHBondContact OE2-NH2 2.75Å
34L98Very high97Very high0 Ų088.4 Ų88.40%043%0.428CS..Hα-helixtrans-70.6-40.9-178.4-76.4178.3000112.9F3 I30 Q36 T37 V38 W51 I56F3-L34 HydrophobicContact CE2-CD1 3.6Å; F3-L34 HydrophobicContact CZ-CD1 3.48Å; F3-L34 VanDerWaalsContact CZ-CD1 3.48Å; I30-L34 HydrophobicContact CG2-CD1 3.79Å; I30-L34 HydrophobicContact CG2-CG 4.4Å; I30-L34 WeakPolarHBondContact O-CB 3.39Å; I30-L34 PolarHBondContact O-N 3.4Å; L34-Q36 VanDerWaalsContact C-N 3.32Å; L34-Q36 PolarHBondContact O-N 2.94Å; L34-T37 PolarHBondContact O-N 3.33Å; L34-V38 WeakPolarHBondContact O-CB 3.3Å; L34-V38 WeakPolarHBondContact O-CG2 3.45Å; L34-V38 PolarHBondContact O-N 3.46Å; L34-W51 HydrophobicContact CD1-CD2 4.5Å; L34-W51 HydrophobicContact CD1-CE3 4.44Å; L34-W51 HydrophobicContact CD1-CH2 4.47Å; L34-W51 HydrophobicContact CD1-CZ3 4.43Å; L34-W51 HydrophobicContact CD2-CB 4.42Å; L34-W51 HydrophobicContact CD2-CD2 3.76Å; L34-W51 HydrophobicContact CD2-CE3 4.4Å; L34-W51 HydrophobicContact CD2-CG 3.74Å; L34-W51 HydrophobicContact CG-CD2 4.33Å; L34-W51 HydrophobicContact CG-CZ2 4.27Å; L34-I56 HydrophobicContact CD1-CD1 3.94Å; L34-I56 HydrophobicContact CD2-CD1 4.17Å; L34-I56 HydrophobicContact CD2-CG1 3.89Å
35V98.3Very high97Very high12 Ų1287.5 Ų87.57%0.07342%0.421CS..Hα-helixtrans-59.6-46.2175.9169.40000110.2F7 T31 L39F7-V35 HydrophobicContact CB-CG2 4.23Å; F7-V35 HydrophobicContact CD1-CG2 3.69Å; F7-V35 HydrophobicContact CD2-CB 4.42Å; F7-V35 HydrophobicContact CD2-CG1 3.93Å; F7-V35 HydrophobicContact CD2-CG2 4.01Å; F7-V35 HydrophobicContact CE1-CG2 3.95Å; F7-V35 HydrophobicContact CE2-CB 4.44Å; F7-V35 HydrophobicContact CE2-CG1 4.19Å; F7-V35 HydrophobicContact CE2-CG2 4.25Å; F7-V35 HydrophobicContact CG-CG1 4.37Å; F7-V35 HydrophobicContact CG-CG2 3.72Å; F7-V35 HydrophobicContact CZ-CG2 4.22Å; T31-V35 HydrophobicContact CG2-CG2 4.1Å; T31-V35 VanDerWaalsContact O-CB 3.22Å; T31-V35 WeakPolarHBondContact O-CB 3.38Å; T31-V35 WeakPolarHBondContact O-CG2 3.42Å; T31-V35 PolarHBondContact O-N 3.02Å; V35-L39 HydrophobicContact CG1-CD1 3.7Å; V35-L39 HydrophobicContact CG1-CG 4.34Å; V35-L39 VanDerWaalsContact O-CB 3.3Å; V35-L39 WeakPolarHBondContact O-CB 3.5Å; V35-L39 WeakPolarHBondContact O-CG 3.5Å; V35-L39 PolarHBondContact O-N 3.36Å
36Q97.7Very high96.9Very high130 Ų13082.5 Ų82.561%0.60741%0.408SS*.Hα-helixtrans-62.1-45.4176.6-73.8176.5-11.100111.8R32 E33 L34 L39 A40R32-Q36 WeakPolarHBondContact O-CB 3.28Å; R32-Q36 VanDerWaalsContact O-CG 3.25Å; R32-Q36 WeakPolarHBondContact O-CG 3.5Å; R32-Q36 PolarHBondContact O-N 3.5Å; R32-Q36 VanDerWaalsContact O-N 3.13Å; E33-Q36 PolarHBondContact O-N 3.49Å; L34-Q36 VanDerWaalsContact C-N 3.32Å; L34-Q36 PolarHBondContact O-N 2.94Å; Q36-L39 PolarHBondContact O-N 3.09Å; Q36-A40 WeakPolarHBondContact O-CB 3.42Å; Q36-A40 PolarHBondContact O-N 3.45Å; Q36-A40 VanDerWaalsContact O-N 3.09Å
37T97.6Very high96.9Very high57 Ų5779.2 Ų79.235%0.3540%0.395SS..Hα-helixtrans-61.8-48.1-179.5-59.60000111.6E33 L34 A40 R41E33-T37 WeakPolarHBondContact O-CB 3.44Å; E33-T37 PolarHBondContact O-N 2.88Å; E33-T37 PolarHBondContact O-OG1 3.34Å; L34-T37 PolarHBondContact O-N 3.33Å; T37-A40 PolarHBondContact O-N 2.66Å; T37-R41 WeakPolarHBondContact O-CG 3.28Å
38V97.9Very high96.9Very high1 Ų179.9 Ų79.91%0.00640%0.398CS..Hα-helixtrans-67.4-42.5-179.4172.20000111.3F7 L34 A40 R41 L49 Y58 Y65F7-V38 HydrophobicContact CE2-CB 4.38Å; F7-V38 HydrophobicContact CE2-CG1 4.22Å; F7-V38 HydrophobicContact CZ-CB 3.9Å; F7-V38 HydrophobicContact CZ-CG1 3.85Å; F7-V38 HydrophobicContact CZ-CG2 4.39Å; L34-V38 WeakPolarHBondContact O-CB 3.3Å; L34-V38 WeakPolarHBondContact O-CG2 3.45Å; L34-V38 PolarHBondContact O-N 3.46Å; V38-A40 VanDerWaalsContact C-N 3.27Å; V38-A40 PolarHBondContact O-N 3.34Å; V38-R41 WeakPolarHBondContact O-CB 3.38Å; V38-R41 PolarHBondContact O-N 3.14Å; V38-L49 HydrophobicContact CG2-CD2 4.25Å; V38-Y58 HydrophobicContact CG1-CD2 3.53Å; V38-Y58 HydrophobicContact CG1-CE2 3.86Å; V38-Y58 HydrophobicContact CG1-CG 3.94Å; V38-Y58 HydrophobicContact CG2-CD1 4.45Å; V38-Y58 HydrophobicContact CG2-CG 4.31Å; V38-Y65 HydrophobicContact CG1-CD1 3.65Å; V38-Y65 HydrophobicContact CG1-CE1 4.08Å; V38-Y65 HydrophobicContact CG1-CG 4.44Å
39L97.6Very high96.8Very high54 Ų5474 Ų7428%0.28337%0.373SS..Hα-helixtrans-68.1-24.8179.9-70177.8000113.5F7 V35 Q36 R41 Y65F7-L39 HydrophobicContact CD2-CD2 4.46Å; F7-L39 HydrophobicContact CE2-CD2 4.14Å; F7-L39 HydrophobicContact CE2-CG 4.1Å; V35-L39 HydrophobicContact CG1-CD1 3.7Å; V35-L39 HydrophobicContact CG1-CG 4.34Å; V35-L39 VanDerWaalsContact O-CB 3.3Å; V35-L39 WeakPolarHBondContact O-CB 3.5Å; V35-L39 WeakPolarHBondContact O-CG 3.5Å; V35-L39 PolarHBondContact O-N 3.36Å; Q36-L39 PolarHBondContact O-N 3.09Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 3.47Å; L39-Y65 HydrophobicContact CD2-CD2 3.91Å; L39-Y65 HydrophobicContact CD2-CE2 3.52Å
40A97.2Very high96.7Very high87 Ų8774.2 Ų74.272%0.71938%0.376SS*.THydrogen-bonded Turntrans-75.5-12.2175.600000113.6Q36 T37 V38Q36-A40 WeakPolarHBondContact O-CB 3.42Å; Q36-A40 PolarHBondContact O-N 3.45Å; Q36-A40 VanDerWaalsContact O-N 3.09Å; T37-A40 PolarHBondContact O-N 2.66Å; V38-A40 VanDerWaalsContact C-N 3.27Å; V38-A40 PolarHBondContact O-N 3.34Å
41R97.1Very high96.6Very high58 Ų5874.5 Ų74.522%0.21938%0.376CS..SBendtrans-79.9145.9-175.5-66.917370.990.7-9112.5T37 V38 L39 M45 C46 F48 Y58T37-R41 WeakPolarHBondContact O-CG 3.28Å; V38-R41 WeakPolarHBondContact O-CB 3.38Å; V38-R41 PolarHBondContact O-N 3.14Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 3.47Å; R41-M45 HydrophobicContact CB-SD 3.93Å; R41-M45 HydrophobicContact CG-SD 4.19Å; R41-C46 PolarHBondContact NH2-O 3.07Å; R41-F48 PolarHBondContact NH2-O 2.92Å; R41-Y58 WeakPolarHBondContact CD-OH 3.31Å; R41-Y58 PolarHBondContact NE-OH 3.1Å
42K95Very high96.4Very high158 Ų15879.9 Ų79.969%0.68740%0.395SS*.  trans-77.7148.5176.6-61.9179.4-176.91760110.8K44 M45K42-K44 PolarHBondContact O-N 3.19Å; K42-M45 HydrophobicContact CB-CG 4.11Å; K42-M45 HydrophobicContact CB-SD 4.23Å; K42-M45 PolarHBondContact N-SD 3.46Å; K42-M45 VanDerWaalsContact N-SD 3.44Å; K42-M45 WeakPolarHBondContact O-CB 3.08Å; K42-M45 WeakPolarHBondContact O-CG 3.45Å; K42-M45 PolarHBondContact O-N 3.07Å
43P90.5Very high96.2Very high130 Ų13079.2 Ų79.284%0.84440%0.404SS*.THydrogen-bonded Turntrans-58.3-24.7-174.8-28.535.6000116.9
44K92.4Very high96.2Very high213 Ų21377.3 Ų77.393%0.92640%0.395SS*.THydrogen-bonded Turntrans-911.1180-65.1-173177.2-175.90113.8K42K42-K44 PolarHBondContact O-N 3.19Å
45M96.3Very high96.2Very high89 Ų8978.4 Ų78.444%0.43840%0.4SS..SBendtrans-73.2158.7177.3-66.2-176.274.500110.9R41 K42R41-M45 HydrophobicContact CB-SD 3.93Å; R41-M45 HydrophobicContact CG-SD 4.19Å; K42-M45 HydrophobicContact CB-CG 4.11Å; K42-M45 HydrophobicContact CB-SD 4.23Å; K42-M45 PolarHBondContact N-SD 3.46Å; K42-M45 VanDerWaalsContact N-SD 3.44Å; K42-M45 WeakPolarHBondContact O-CB 3.08Å; K42-M45 WeakPolarHBondContact O-CG 3.45Å; K42-M45 PolarHBondContact O-N 3.07Å
46C96.7Very high96.2Very high74 Ų7477.9 Ų77.950%0.540%0.397SS..  trans-55.9142.8176.5-171.20000111.3R41 F48 Y58R41-C46 PolarHBondContact NH2-O 3.07Å; C46-F48 PolarHBondContact O-N 2.93Å; C46-F48 WeakPolarHBondContact SG-CD2 3.39Å; C46-F48 PolarHBondContact SG-N 3.08Å; C46-F48 VanDerWaalsContact SG-N 3.39Å; C46-Y58 WeakPolarHBondContact O-CE1 3.42Å; C46-Y58 PolarHBondContact O-OH 3.18Å
47S97.5Very high96.2Very high25 Ų2571.7 Ų71.718%0.17537%0.368CS..SBendtrans-70.1-6172.9-90.20000113.7Y58S47-Y58 VanDerWaalsContact CB-O 3.25Å; S47-Y58 WeakPolarHBondContact CB-O 3.44Å; S47-Y58 WeakPolarHBondContact O-CD1 3.45Å; S47-Y58 PolarHBondContact O-N 3.01Å; S47-Y58 PolarHBondContact OG-O 3.31Å
48F97.9Very high96.3Very high59 Ų5969.8 Ų69.826%0.25936%0.355SS..EExtended strand (participates in β ladder)trans-114.1146.1-179.2-40.3-48.3000110.1R41 C46 I56 V57 E76 L77 L80R41-F48 PolarHBondContact NH2-O 2.92Å; C46-F48 PolarHBondContact O-N 2.93Å; C46-F48 WeakPolarHBondContact SG-CD2 3.39Å; C46-F48 PolarHBondContact SG-N 3.08Å; C46-F48 VanDerWaalsContact SG-N 3.39Å; F48-I56 WeakPolarHBondContact CA-O 3.44Å; F48-V57 HydrophobicContact CD1-CB 4.29Å; F48-V57 HydrophobicContact CD1-CG1 3.93Å; F48-V57 HydrophobicContact CD1-CG2 3.91Å; F48-V57 HydrophobicContact CE1-CG1 3.82Å; F48-V57 HydrophobicContact CE1-CG2 4.33Å; F48-E76 HydrophobicContact CD1-CB 3.63Å; F48-E76 HydrophobicContact CD1-CG 4.29Å; F48-E76 HydrophobicContact CD2-CB 4.14Å; F48-E76 HydrophobicContact CE1-CB 3.61Å; F48-E76 HydrophobicContact CE2-CB 4.13Å; F48-E76 HydrophobicContact CG-CB 3.91Å; F48-E76 HydrophobicContact CG-CG 4.21Å; F48-E76 HydrophobicContact CZ-CB 3.88Å; F48-L77 HydrophobicContact CE2-CD2 4.25Å; F48-L77 HydrophobicContact CZ-CD2 3.83Å; F48-L80 HydrophobicContact CE1-CB 4.48Å; F48-L80 HydrophobicContact CE1-CD2 4.45Å; F48-L80 HydrophobicContact CZ-CD2 4.41Å
49L95.9Very high96.3Very high19 Ų1973.6 Ų73.610%0.09937%0.371CS..EExtended strand (participates in β ladder)trans-149.3137.4175.258102.2000109.9V38 W51 I56 Y58V38-L49 HydrophobicContact CG2-CD2 4.25Å; L49-W51 HydrophobicContact CD1-CB 3.85Å; L49-I56 HydrophobicContact CD1-CB 3.44Å; L49-I56 VanDerWaalsContact CD1-CB 3.44Å; L49-I56 HydrophobicContact CD1-CG1 3.52Å; L49-I56 HydrophobicContact CD1-CG2 4.14Å; L49-I56 HydrophobicContact CD2-CB 4.23Å; L49-I56 HydrophobicContact CD2-CG2 4.25Å; L49-I56 HydrophobicContact CG-CB 3.64Å; L49-I56 HydrophobicContact CG-CG1 4.3Å; L49-I56 HydrophobicContact CG-CG2 4.21Å; L49-I56 PolarHBondContact N-O 2.89Å; L49-I56 PolarHBondContact O-N 3.37Å; L49-Y58 HydrophobicContact CD2-CD1 3.69Å; L49-Y58 HydrophobicContact CD2-CE1 3.75Å
50E96.4Very high96.3Very high134 Ų13476.1 Ų76.163%0.62638%0.377SS*.EExtended strand (participates in β ladder)trans-73.3129.1167.7-61.9-60.8154.500108.7
51W95.8Very high96.3Very high20 Ų2074.8 Ų74.88%0.07635%0.353CS..EExtended strand (participates in β ladder)trans-143.1107.1177177.978000109.8F3 I30 E33 L34 L49 D53 L54 I56F3-W51 HydrophobicContact CZ-CZ3 4.37Å; I30-W51 HydrophobicContact CB-CH2 4.26Å; I30-W51 HydrophobicContact CD1-CH2 4.27Å; I30-W51 HydrophobicContact CG1-CH2 3.88Å; I30-W51 HydrophobicContact CG1-CZ2 4.39Å; I30-W51 HydrophobicContact CG2-CH2 3.62Å; I30-W51 HydrophobicContact CG2-CZ2 4.14Å; I30-W51 HydrophobicContact CG2-CZ3 4.34Å; E33-W51 PolarHBondContact OE1-NE1 2.82Å; L34-W51 HydrophobicContact CD1-CD2 4.5Å; L34-W51 HydrophobicContact CD1-CE3 4.44Å; L34-W51 HydrophobicContact CD1-CH2 4.47Å; L34-W51 HydrophobicContact CD1-CZ3 4.43Å; L34-W51 HydrophobicContact CD2-CB 4.42Å; L34-W51 HydrophobicContact CD2-CD2 3.76Å; L34-W51 HydrophobicContact CD2-CE3 4.4Å; L34-W51 HydrophobicContact CD2-CG 3.74Å; L34-W51 HydrophobicContact CG-CD2 4.33Å; L34-W51 HydrophobicContact CG-CZ2 4.27Å; L49-W51 HydrophobicContact CD1-CB 3.85Å; W51-D53 PolarHBondContact O-N 3.28Å; W51-L54 CarbonylContact C-O 3.57Å; W51-L54 HydrophobicContact CE3-CB 4.49Å; W51-L54 HydrophobicContact CE3-CD1 4.47Å; W51-L54 HydrophobicContact CZ3-CD1 4.18Å; W51-L54 PolarHBondContact N-O 3.17Å; W51-L54 PolarHBondContact O-N 3.2Å; W51-L54 VanDerWaalsContact O-N 3.15Å; W51-I56 HydrophobicContact CB-CD1 4.39Å; W51-I56 HydrophobicContact CB-CG1 3.66Å; W51-I56 HydrophobicContact CD2-CD1 4.48Å; W51-I56 HydrophobicContact CE3-CD1 3.96Å; W51-I56 HydrophobicContact CE3-CG1 4.44Å; W51-I56 HydrophobicContact CG-CG1 4.27Å
52R92.8Very high96.2Very high130 Ų13076.1 Ų76.149%0.49138%0.377SS..THydrogen-bonded Turntrans57.1-133.6-170.7-50.6179.4-178.5175.85.7109E33 L54E33-R52 IonicContact OE1-NH2 3.08Å; E33-R52 IonicContact OE2-CZ 2.67Å; E33-R52 IonicContact OE2-NH2 3.74Å; E33-R52 PolarHBondContact OE2-NH2 2.75Å; R52-L54 VanDerWaalsContact C-N 3.25Å; R52-L54 PolarHBondContact O-N 2.95Å
53D94Very high96.1Very high153 Ų15370.6 Ų70.682%0.81836%0.358SS*.THydrogen-bonded Turntrans-91.720.3178.5-47.3-55.8000112.3W51W51-D53 PolarHBondContact O-N 3.28Å
54L97.2Very high96.5Very high20 Ų2064.9 Ų64.911%0.10532%0.321CS..EExtended strand (participates in β ladder)trans-127.9157.6-179.4-61.4177000111.1Q2 W51 R52 A69 E71Q2-L54 HydrophobicContact CG-CD1 4.42Å; Q2-L54 HydrophobicContact CG-CD2 4.33Å; W51-L54 CarbonylContact C-O 3.57Å; W51-L54 HydrophobicContact CE3-CB 4.49Å; W51-L54 HydrophobicContact CE3-CD1 4.47Å; W51-L54 HydrophobicContact CZ3-CD1 4.18Å; W51-L54 PolarHBondContact N-O 3.17Å; W51-L54 PolarHBondContact O-N 3.2Å; W51-L54 VanDerWaalsContact O-N 3.15Å; R52-L54 VanDerWaalsContact C-N 3.25Å; R52-L54 PolarHBondContact O-N 2.95Å; L54-A69 HydrophobicContact CD1-CB 4.24Å; L54-E71 HydrophobicContact CD2-CG 4.38Å
55K98.1Very high96.8Very high24 Ų2456 Ų5610%0.10428%0.281CS..EExtended strand (participates in β ladder)trans-101.3135.1169.2-65.2174.5177.5170.10109.6A69 I70 D72 E76K55-A69 WeakPolarHBondContact O-CA 3.24Å; K55-I70 HydrophobicContact CB-CD1 4.42Å; K55-I70 HydrophobicContact CB-CG1 3.81Å; K55-I70 PolarHBondContact N-O 3.46Å; K55-I70 PolarHBondContact O-N 2.85Å; K55-D72 WeakPolarHBondContact CE-OD1 3.5Å; K55-D72 PolarHBondContact NZ-O 2.82Å; K55-D72 IonicContact NZ-OD1 2.74Å; K55-D72 PolarHBondContact NZ-OD1 2.99Å; K55-D72 VanDerWaalsContact NZ-OD1 3.08Å; K55-E76 HydrophobicContact CD-CG 4.14Å; K55-E76 WeakPolarHBondContact CD-OE1 3.31Å; K55-E76 WeakPolarHBondContact CE-OE1 3.38Å; K55-E76 IonicContact NZ-OE1 2.87Å; K55-E76 PolarHBondContact NZ-OE1 3.02Å
56I98.4Very high96.9Very high0 Ų052 Ų520%026%0.261CS..EExtended strand (participates in β ladder)trans-107.2126.6174.1-49.6-63.4000108.9F3 L34 F48 L49 W51 C67 C68 A69F3-I56 HydrophobicContact CZ-CD1 4.38Å; L34-I56 HydrophobicContact CD1-CD1 3.94Å; L34-I56 HydrophobicContact CD2-CD1 4.17Å; L34-I56 HydrophobicContact CD2-CG1 3.89Å; F48-I56 WeakPolarHBondContact CA-O 3.44Å; L49-I56 HydrophobicContact CD1-CB 3.44Å; L49-I56 VanDerWaalsContact CD1-CB 3.44Å; L49-I56 HydrophobicContact CD1-CG1 3.52Å; L49-I56 HydrophobicContact CD1-CG2 4.14Å; L49-I56 HydrophobicContact CD2-CB 4.23Å; L49-I56 HydrophobicContact CD2-CG2 4.25Å; L49-I56 HydrophobicContact CG-CB 3.64Å; L49-I56 HydrophobicContact CG-CG1 4.3Å; L49-I56 HydrophobicContact CG-CG2 4.21Å; L49-I56 PolarHBondContact N-O 2.89Å; L49-I56 PolarHBondContact O-N 3.37Å; W51-I56 HydrophobicContact CB-CD1 4.39Å; W51-I56 HydrophobicContact CB-CG1 3.66Å; W51-I56 HydrophobicContact CD2-CD1 4.48Å; W51-I56 HydrophobicContact CE3-CD1 3.96Å; W51-I56 HydrophobicContact CE3-CG1 4.44Å; W51-I56 HydrophobicContact CG-CG1 4.27Å; I56-C67 WeakPolarHBondContact CG2-SG 3.25Å; I56-C68 CarbonylContact C-O 3.5Å; I56-C68 VanDerWaalsContact CA-O 3.3Å; I56-C68 WeakPolarHBondContact CA-O 3.37Å; I56-A69 HydrophobicContact CD1-CB 3.43Å; I56-A69 VanDerWaalsContact CD1-CB 3.43Å
57V98.8Very high97Very high0 Ų048.4 Ų48.40%024%0.238CC..EExtended strand (participates in β ladder)trans-108.6123.2174.7-178.70000107.9F48 C67 C68 I70 E76 T79 L80 I83F48-V57 HydrophobicContact CD1-CB 4.29Å; F48-V57 HydrophobicContact CD1-CG1 3.93Å; F48-V57 HydrophobicContact CD1-CG2 3.91Å; F48-V57 HydrophobicContact CE1-CG1 3.82Å; F48-V57 HydrophobicContact CE1-CG2 4.33Å; V57-C67 CarbonylContact O-C 3.54Å; V57-C67 WeakPolarHBondContact O-CA 3.45Å; V57-C68 PolarHBondContact N-O 3.26Å; V57-C68 PolarHBondContact O-N 2.94Å; V57-I70 HydrophobicContact CG2-CD1 3.67Å; V57-I70 HydrophobicContact CG2-CG1 4.29Å; V57-E76 HydrophobicContact CG2-CB 4.01Å; V57-E76 HydrophobicContact CG2-CG 4.37Å; V57-T79 HydrophobicContact CB-CG2 3.78Å; V57-T79 HydrophobicContact CG1-CG2 4.06Å; V57-T79 HydrophobicContact CG2-CG2 3.91Å; V57-L80 HydrophobicContact CG1-CB 4.13Å; V57-L80 HydrophobicContact CG1-CD1 3.92Å; V57-I83 HydrophobicContact CG1-CD1 4.11Å
58Y98.5Very high97Very high18 Ų1847.2 Ų47.27%0.07123%0.229CC..EExtended strand (participates in β ladder)trans-135.3147.6178.980.6-81000113.3V38 R41 C46 S47 L49 Y65 F66V38-Y58 HydrophobicContact CG1-CD2 3.53Å; V38-Y58 HydrophobicContact CG1-CE2 3.86Å; V38-Y58 HydrophobicContact CG1-CG 3.94Å; V38-Y58 HydrophobicContact CG2-CD1 4.45Å; V38-Y58 HydrophobicContact CG2-CG 4.31Å; R41-Y58 WeakPolarHBondContact CD-OH 3.31Å; R41-Y58 PolarHBondContact NE-OH 3.1Å; C46-Y58 WeakPolarHBondContact O-CE1 3.42Å; C46-Y58 PolarHBondContact O-OH 3.18Å; S47-Y58 VanDerWaalsContact CB-O 3.25Å; S47-Y58 WeakPolarHBondContact CB-O 3.44Å; S47-Y58 WeakPolarHBondContact O-CD1 3.45Å; S47-Y58 PolarHBondContact O-N 3.01Å; S47-Y58 PolarHBondContact OG-O 3.31Å; L49-Y58 HydrophobicContact CD2-CD1 3.69Å; L49-Y58 HydrophobicContact CD2-CE1 3.75Å; Y58-Y65 HydrophobicContact CD2-CD1 4.3Å; Y58-F66 CarbonylContact C-O 3.56Å; Y58-F66 WeakPolarHBondContact CA-O 3.36Å; Y58-F66 WeakPolarHBondContact CB-O 3.5Å
59K98.3Very high97.1Very high80 Ų8044.4 Ų44.435%0.34822%0.217SC..EExtended strand (participates in β ladder)trans-141.4140.8174.7-168.264.8169.3-167.50110.3Y61 F66 L80 I83K59-Y61 HydrophobicContact CB-CD2 4.39Å; K59-Y61 HydrophobicContact CB-CE2 3.81Å; K59-Y61 HydrophobicContact CG-CD2 3.99Å; K59-Y61 HydrophobicContact CG-CE2 3.32Å; K59-F66 PolarHBondContact N-O 3.13Å; K59-F66 PolarHBondContact O-N 2.79Å; K59-L80 HydrophobicContact CB-CD1 3.91Å; K59-L80 HydrophobicContact CD-CD1 4.31Å; K59-L80 HydrophobicContact CG-CD1 4.38Å; K59-I83 HydrophobicContact CB-CG2 4.17Å
60R97.8Very high97.2Very high108 Ų10843.6 Ų43.641%0.40821%0.213SC..EExtended strand (participates in β ladder)trans-99.5127.3174.7-174.6-171.6169.2-159.5-12.2110A62 L64 Y65R60-A62 VanDerWaalsContact CZ-O 3.27Å; R60-A62 PolarHBondContact NE-O 3.07Å; R60-A62 PolarHBondContact NH2-O 3.17Å; R60-L64 CarbonylContact C-O 3.58Å; R60-L64 VanDerWaalsContact CA-O 3.32Å; R60-L64 WeakPolarHBondContact CA-O 3.44Å; R60-L64 WeakPolarHBondContact CG-O 3.44Å; R60-Y65 HydrophobicContact CB-CD1 4Å; R60-Y65 HydrophobicContact CB-CE1 3.88Å; R60-Y65 HydrophobicContact CG-CD1 4.28Å; R60-Y65 HydrophobicContact CG-CD2 4.4Å; R60-Y65 HydrophobicContact CG-CE1 4.01Å; R60-Y65 HydrophobicContact CG-CE2 4.12Å; R60-Y65 HydrophobicContact CG-CG 4.47Å
61Y97.1Very high97.2Very high58 Ų5840.8 Ų40.823%0.22720%0.199CC..EExtended strand (participates in β ladder)trans-120.1116.4169.4-68.6-93.4000108.3K59 S63 L64 F66 I83 H84 V87K59-Y61 HydrophobicContact CB-CD2 4.39Å; K59-Y61 HydrophobicContact CB-CE2 3.81Å; K59-Y61 HydrophobicContact CG-CD2 3.99Å; K59-Y61 HydrophobicContact CG-CE2 3.32Å; Y61-S63 PolarHBondContact O-N 3.02Å; Y61-S63 VanDerWaalsContact O-N 3.09Å; Y61-L64 PolarHBondContact N-O 3.46Å; Y61-L64 PolarHBondContact O-N 2.88Å; Y61-L64 VanDerWaalsContact O-O 3.14Å; Y61-F66 AromaticContact CD2-CD2 3.88Å; Y61-F66 HydrophobicContact CD2-CD2 3.88Å; Y61-F66 HydrophobicContact CD2-CE2 4.17Å; Y61-I83 HydrophobicContact CE2-CG2 3.94Å; Y61-H84 AromaticContact CE1-ND1 3.82Å; Y61-H84 AromaticContact CZ-ND1 3.76Å; Y61-H84 WeakPolarHBondContact OH-CA 3.19Å; Y61-H84 WeakPolarHBondContact OH-CB 3.14Å; Y61-H84 PolarHBondContact OH-ND1 2.86Å; Y61-H84 VanDerWaalsContact OH-ND1 3.08Å; Y61-V87 HydrophobicContact CD1-CG1 4.01Å; Y61-V87 HydrophobicContact CD1-CG2 4.46Å; Y61-V87 HydrophobicContact CD2-CG2 3.8Å; Y61-V87 HydrophobicContact CE1-CG1 4.24Å; Y61-V87 HydrophobicContact CE2-CG2 3.88Å; Y61-V87 HydrophobicContact CG-CG1 4.27Å; Y61-V87 HydrophobicContact CG-CG2 4.12Å
62A94.6Very high97.1Very high87 Ų8745 Ų4572%0.71922%0.223SC*.THydrogen-bonded Turntrans50-112-173.800000113.6R60R60-A62 VanDerWaalsContact CZ-O 3.27Å; R60-A62 PolarHBondContact NE-O 3.07Å; R60-A62 PolarHBondContact NH2-O 3.17Å
63S94.1Very high97.3Very high42 Ų4245.3 Ų45.329%0.29423%0.231SC..THydrogen-bonded Turntrans-92.9-8.2177.958.30000114.2S8 R9 Y61 E99S8-S63 CarbonylContact C-O 3.48Å; R9-S63 PolarHBondContact N-O 2.63Å; Y61-S63 PolarHBondContact O-N 3.02Å; Y61-S63 VanDerWaalsContact O-N 3.09Å; S63-E99 WeakPolarHBondContact CB-OE2 3.36Å; S63-E99 PolarHBondContact OG-OE2 2.96Å
64L97.6Very high97.4Very high10 Ų1040 Ų405%0.05220%0.202CC..EExtended strand (participates in β ladder)trans-101.7143-174.9-70.9174.3000112.4R14 R60 Y61 F66 E99 I102R14-L64 HydrophobicContact CG-CD2 3.85Å; R60-L64 CarbonylContact C-O 3.58Å; R60-L64 VanDerWaalsContact CA-O 3.32Å; R60-L64 WeakPolarHBondContact CA-O 3.44Å; R60-L64 WeakPolarHBondContact CG-O 3.44Å; Y61-L64 PolarHBondContact N-O 3.46Å; Y61-L64 PolarHBondContact O-N 2.88Å; Y61-L64 VanDerWaalsContact O-O 3.14Å; L64-F66 HydrophobicContact CB-CD2 4.44Å; L64-F66 HydrophobicContact CB-CE2 3.86Å; L64-F66 HydrophobicContact CD1-CE2 4.48Å; L64-E99 HydrophobicContact CD1-CB 4.02Å; L64-E99 HydrophobicContact CD1-CG 4.4Å; L64-E99 HydrophobicContact CD2-CB 4.25Å; L64-E99 HydrophobicContact CD2-CG 3.84Å; L64-E99 HydrophobicContact CG-CB 4.02Å; L64-E99 HydrophobicContact CG-CG 4.19Å; L64-I102 HydrophobicContact CD1-CD1 3.57Å
65Y98.5Very high97.4Very high25 Ų2542.6 Ų42.610%0.09822%0.216CC..EExtended strand (participates in β ladder)trans-109.4129.9169.5-70.3-99.3000108.5L6 F7 R9 V38 L39 Y58 R60L6-Y65 VanDerWaalsContact CA-O 3.28Å; L6-Y65 WeakPolarHBondContact CA-O 3.24Å; F7-Y65 HydrophobicContact CD2-CD2 4.32Å; F7-Y65 HydrophobicContact CD2-CG 4.27Å; F7-Y65 VanDerWaalsContact CE2-CB 3.43Å; F7-Y65 HydrophobicContact CE2-CD1 4.42Å; F7-Y65 HydrophobicContact CE2-CD2 4.13Å; F7-Y65 AromaticContact CE2-CG 3.76Å; F7-Y65 HydrophobicContact CE2-CG 3.76Å; F7-Y65 HydrophobicContact CZ-CG 4.27Å; F7-Y65 PolarHBondContact N-O 3.24Å; F7-Y65 PolarHBondContact O-N 2.78Å; R9-Y65 HydrophobicContact CB-CE2 4.34Å; V38-Y65 HydrophobicContact CG1-CD1 3.65Å; V38-Y65 HydrophobicContact CG1-CE1 4.08Å; V38-Y65 HydrophobicContact CG1-CG 4.44Å; L39-Y65 HydrophobicContact CD2-CD2 3.91Å; L39-Y65 HydrophobicContact CD2-CE2 3.52Å; Y58-Y65 HydrophobicContact CD2-CD1 4.3Å; R60-Y65 HydrophobicContact CB-CD1 4Å; R60-Y65 HydrophobicContact CB-CE1 3.88Å; R60-Y65 HydrophobicContact CG-CD1 4.28Å; R60-Y65 HydrophobicContact CG-CD2 4.4Å; R60-Y65 HydrophobicContact CG-CE1 4.01Å; R60-Y65 HydrophobicContact CG-CE2 4.12Å; R60-Y65 HydrophobicContact CG-CG 4.47Å
66F98.7Very high97.4Very high5 Ų543.8 Ų43.82%0.02222%0.222CC..EExtended strand (participates in β ladder)trans-106.8130.1171.5-67.7-109.4000106.8M4 L6 Y58 K59 Y61 L64 I83 Y86 V87 L90M4-F66 HydrophobicContact CE-CD1 3.78Å; L6-F66 HydrophobicContact CD1-CD1 3.67Å; L6-F66 HydrophobicContact CD1-CE1 3.97Å; L6-F66 HydrophobicContact CD1-CG 4.41Å; L6-F66 HydrophobicContact CD2-CD1 3.99Å; L6-F66 HydrophobicContact CD2-CE1 3.42Å; L6-F66 VanDerWaalsContact CD2-CE1 3.42Å; L6-F66 HydrophobicContact CD2-CZ 3.76Å; L6-F66 HydrophobicContact CG-CD1 3.62Å; L6-F66 HydrophobicContact CG-CE1 3.61Å; L6-F66 HydrophobicContact CG-CG 4.14Å; L6-F66 HydrophobicContact CG-CZ 4.1Å; Y58-F66 CarbonylContact C-O 3.56Å; Y58-F66 WeakPolarHBondContact CA-O 3.36Å; Y58-F66 WeakPolarHBondContact CB-O 3.5Å; K59-F66 PolarHBondContact N-O 3.13Å; K59-F66 PolarHBondContact O-N 2.79Å; Y61-F66 AromaticContact CD2-CD2 3.88Å; Y61-F66 HydrophobicContact CD2-CD2 3.88Å; Y61-F66 HydrophobicContact CD2-CE2 4.17Å; L64-F66 HydrophobicContact CB-CD2 4.44Å; L64-F66 HydrophobicContact CB-CE2 3.86Å; L64-F66 HydrophobicContact CD1-CE2 4.48Å; F66-I83 HydrophobicContact CB-CD1 4.44Å; F66-I83 HydrophobicContact CB-CG1 4.45Å; F66-I83 HydrophobicContact CB-CG2 3.45Å; F66-I83 VanDerWaalsContact CB-CG2 3.45Å; F66-I83 HydrophobicContact CD1-CG2 4.24Å; F66-I83 HydrophobicContact CG-CG2 3.94Å; F66-Y86 HydrophobicContact CD1-CD1 4.17Å; F66-Y86 AromaticContact CE1-CD1 3.81Å; F66-Y86 HydrophobicContact CE1-CD1 3.81Å; F66-Y86 HydrophobicContact CE1-CE1 4.02Å; F66-V87 HydrophobicContact CD1-CG2 4.19Å; F66-V87 HydrophobicContact CD2-CG2 4.31Å; F66-V87 HydrophobicContact CE1-CG2 3.72Å; F66-V87 HydrophobicContact CE2-CG2 3.88Å; F66-V87 HydrophobicContact CG-CG2 4.48Å; F66-V87 HydrophobicContact CZ-CG2 3.57Å; F66-L90 HydrophobicContact CE1-CD1 4.27Å; F66-L90 HydrophobicContact CZ-CD1 4.39Å
67C98.6Very high97.4Very high0 Ų048.9 Ų48.90%025%0.249CC..EExtended strand (participates in β ladder)trans-141.8119.5-170.2-179.10000109.4M4 L5 F7 I56 V57M4-C67 CarbonylContact C-O 3.52Å; M4-C67 WeakPolarHBondContact CA-O 3.39Å; L5-C67 HydrophobicContact CB-CB 4.34Å; L5-C67 PolarHBondContact N-O 2.87Å; L5-C67 PolarHBondContact O-N 2.68Å; F7-C67 HydrophobicContact CE1-CB 3.74Å; F7-C67 HydrophobicContact CZ-CB 4.38Å; I56-C67 WeakPolarHBondContact CG2-SG 3.25Å; V57-C67 CarbonylContact O-C 3.54Å; V57-C67 WeakPolarHBondContact O-CA 3.45Å
68C98.7Very high97.4Very high0 Ų053.9 Ų53.90%027%0.274CS..EExtended strand (participates in β ladder)trans-116.2140.7179-660000109.4M1 F3 I56 V57 T79 I83M1-C68 HydrophobicContact CE-CB 4.2Å; M1-C68 HydrophobicContact CG-CB 4.38Å; M1-C68 HydrophobicContact SD-CB 3.93Å; F3-C68 WeakPolarHBondContact O-CA 3.37Å; I56-C68 CarbonylContact C-O 3.5Å; I56-C68 VanDerWaalsContact CA-O 3.3Å; I56-C68 WeakPolarHBondContact CA-O 3.37Å; V57-C68 PolarHBondContact N-O 3.26Å; V57-C68 PolarHBondContact O-N 2.94Å; C68-T79 HydrophobicContact CB-CG2 3.75Å; C68-I83 HydrophobicContact CB-CD1 4.44Å
69A98.4Very high97.4Very high0 Ų053.4 Ų53.40%027%0.273CS..EExtended strand (participates in β ladder)trans-104.2126.8167.700000110.1M1 Q2 F3 L54 K55 I56M1-A69 VanDerWaalsContact CG-O 3.28Å; M1-A69 WeakPolarHBondContact CG-O 3.48Å; Q2-A69 HydrophobicContact CB-CB 4.48Å; Q2-A69 PolarHBondContact N-O 3.42Å; F3-A69 HydrophobicContact CD1-CB 3.81Å; F3-A69 HydrophobicContact CD2-CB 3.97Å; F3-A69 HydrophobicContact CE1-CB 3.39Å; F3-A69 HydrophobicContact CE2-CB 3.56Å; F3-A69 HydrophobicContact CG-CB 4.09Å; F3-A69 HydrophobicContact CZ-CB 3.26Å; F3-A69 PolarHBondContact O-N 2.82Å; L54-A69 HydrophobicContact CD1-CB 4.24Å; K55-A69 WeakPolarHBondContact O-CA 3.24Å; I56-A69 HydrophobicContact CD1-CB 3.43Å; I56-A69 VanDerWaalsContact CD1-CB 3.43Å
70I98.3Very high97.4Very high1 Ų151.1 Ų51.11%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-127.7162.1-177.168.4177.8000110.3M1 K55 V57 D74 E76 T79M1-I70 HydrophobicContact CB-CG2 4.33Å; M1-I70 HydrophobicContact CG-CG2 4.13Å; K55-I70 HydrophobicContact CB-CD1 4.42Å; K55-I70 HydrophobicContact CB-CG1 3.81Å; K55-I70 PolarHBondContact N-O 3.46Å; K55-I70 PolarHBondContact O-N 2.85Å; V57-I70 HydrophobicContact CG2-CD1 3.67Å; V57-I70 HydrophobicContact CG2-CG1 4.29Å; I70-D74 HydrophobicContact CB-CB 3.82Å; I70-D74 WeakPolarHBondContact CB-OD2 3.43Å; I70-D74 HydrophobicContact CD1-CB 3.83Å; I70-D74 HydrophobicContact CG1-CB 4.05Å; I70-E76 HydrophobicContact CD1-CG 4.23Å; I70-T79 HydrophobicContact CD1-CG2 4.46Å; I70-T79 WeakPolarHBondContact CD1-OG1 3.24Å; I70-T79 HydrophobicContact CG2-CG2 3.69Å
71E97.1Very high97.4Very high75 Ų7551.5 Ų51.535%0.3527%0.271SS..  trans-81.3165-179.8-58.3-172.8175.500110.6L54 Q73 D74L54-E71 HydrophobicContact CD2-CG 4.38Å; E71-Q73 PolarHBondContact O-N 3.18Å; E71-Q73 PolarHBondContact OE2-NE2 3.07Å; E71-D74 PolarHBondContact N-OD2 3.07Å; E71-D74 WeakPolarHBondContact O-CB 3.4Å; E71-D74 PolarHBondContact O-N 2.95Å; E71-D74 VanDerWaalsContact O-N 3.07Å
72D94.6Very high97.4Very high108 Ų10849.9 Ų49.958%0.57827%0.266SS*.THydrogen-bonded Turntrans-62.5-32.6-173.5-175.942.6000112.8K55 D74K55-D72 WeakPolarHBondContact CE-OD1 3.5Å; K55-D72 PolarHBondContact NZ-O 2.82Å; K55-D72 IonicContact NZ-OD1 2.74Å; K55-D72 PolarHBondContact NZ-OD1 2.99Å; K55-D72 VanDerWaalsContact NZ-OD1 3.08Å; D72-D74 VanDerWaalsContact C-N 3.3Å; D72-D74 PolarHBondContact O-N 2.63Å
73Q95.4Very high97.6Very high138 Ų13845.7 Ų45.765%0.64523%0.232SC*.THydrogen-bonded Turntrans-77.1-12177.572.1-83800114.5E71E71-Q73 PolarHBondContact O-N 3.18Å; E71-Q73 PolarHBondContact OE2-NE2 3.07Å
74D96.8Very high97.8Very high40 Ų4046.9 Ų46.921%0.21423%0.233CC..SBendtrans-78150.1-177.5-69.2-31000111.3I70 E71 D72I70-D74 HydrophobicContact CB-CB 3.82Å; I70-D74 WeakPolarHBondContact CB-OD2 3.43Å; I70-D74 HydrophobicContact CD1-CB 3.83Å; I70-D74 HydrophobicContact CG1-CB 4.05Å; E71-D74 PolarHBondContact N-OD2 3.07Å; E71-D74 WeakPolarHBondContact O-CB 3.4Å; E71-D74 PolarHBondContact O-N 2.95Å; E71-D74 VanDerWaalsContact O-N 3.07Å; D72-D74 VanDerWaalsContact C-N 3.3Å; D72-D74 PolarHBondContact O-N 2.63Å
75N97.3Very high97.9Very high76 Ų7649.9 Ų49.941%0.40624%0.243SC..  trans-85.4120.2179.4-172.3-55.9000111.4L77 I78 T79N75-L77 VanDerWaalsContact C-N 3.34Å; N75-L77 PolarHBondContact O-N 3.43Å; N75-L77 WeakPolarHBondContact OD1-CA 3.28Å; N75-L77 WeakPolarHBondContact OD1-CB 3.47Å; N75-L77 PolarHBondContact OD1-N 3.09Å; N75-I78 HydrophobicContact CB-CB 4.08Å; N75-I78 HydrophobicContact CB-CD1 3.86Å; N75-I78 HydrophobicContact CB-CG1 3.96Å; N75-I78 PolarHBondContact O-N 2.68Å; N75-I78 PolarHBondContact OD1-N 3.23Å; N75-T79 PolarHBondContact O-N 2.95Å; N75-T79 VanDerWaalsContact O-N 3.09Å; N75-T79 PolarHBondContact O-OG1 3.05Å
76E98.3Very high97.9Very high49 Ų4948.7 Ų48.723%0.22924%0.238CC..Hα-helixtrans-67.4-34.3-176.6-54.584.1166.700112.3F48 K55 V57 I70 T79 L80F48-E76 HydrophobicContact CD1-CB 3.63Å; F48-E76 HydrophobicContact CD1-CG 4.29Å; F48-E76 HydrophobicContact CD2-CB 4.14Å; F48-E76 HydrophobicContact CE1-CB 3.61Å; F48-E76 HydrophobicContact CE2-CB 4.13Å; F48-E76 HydrophobicContact CG-CB 3.91Å; F48-E76 HydrophobicContact CG-CG 4.21Å; F48-E76 HydrophobicContact CZ-CB 3.88Å; K55-E76 HydrophobicContact CD-CG 4.14Å; K55-E76 WeakPolarHBondContact CD-OE1 3.31Å; K55-E76 WeakPolarHBondContact CE-OE1 3.38Å; K55-E76 IonicContact NZ-OE1 2.87Å; K55-E76 PolarHBondContact NZ-OE1 3.02Å; V57-E76 HydrophobicContact CG2-CB 4.01Å; V57-E76 HydrophobicContact CG2-CG 4.37Å; I70-E76 HydrophobicContact CD1-CG 4.23Å; E76-T79 PolarHBondContact O-N 3.19Å; E76-L80 PolarHBondContact O-N 3.43Å
77L98.3Very high97.9Very high107 Ų10749.4 Ų49.456%0.5624%0.243SC*.Hα-helixtrans-72-40.7179.4-63170.9000111.5F48 N75 T79 L80 E81F48-L77 HydrophobicContact CE2-CD2 4.25Å; F48-L77 HydrophobicContact CZ-CD2 3.83Å; N75-L77 VanDerWaalsContact C-N 3.34Å; N75-L77 PolarHBondContact O-N 3.43Å; N75-L77 WeakPolarHBondContact OD1-CA 3.28Å; N75-L77 WeakPolarHBondContact OD1-CB 3.47Å; N75-L77 PolarHBondContact OD1-N 3.09Å; L77-T79 VanDerWaalsContact C-N 3.29Å; L77-T79 PolarHBondContact O-N 3.18Å; L77-L80 WeakPolarHBondContact O-CB 3.37Å; L77-L80 PolarHBondContact O-N 2.92Å; L77-E81 PolarHBondContact O-N 3.41Å
78I97.8Very high97.8Very high104 Ų10452.3 Ų52.353%0.53326%0.257SS..Hα-helixtrans-62.4-41.5173.7-65.1179.2000109.8N75 L80 E81 I82N75-I78 HydrophobicContact CB-CB 4.08Å; N75-I78 HydrophobicContact CB-CD1 3.86Å; N75-I78 HydrophobicContact CB-CG1 3.96Å; N75-I78 PolarHBondContact O-N 2.68Å; N75-I78 PolarHBondContact OD1-N 3.23Å; I78-L80 VanDerWaalsContact C-N 3.3Å; I78-L80 PolarHBondContact O-N 3.42Å; I78-E81 CarbonylContact O-C 3.58Å; I78-E81 WeakPolarHBondContact O-CB 3.28Å; I78-E81 PolarHBondContact O-N 2.87Å; I78-E81 VanDerWaalsContact O-N 3.15Å; I78-I82 HydrophobicContact CG2-CD1 4.24Å; I78-I82 WeakPolarHBondContact O-CG1 3.13Å; I78-I82 PolarHBondContact O-N 3.41Å
79T98.4Very high97.8Very high8 Ų852.3 Ų52.35%0.04926%0.257CS..Hα-helixtrans-63.3-37.2175.7-56.40000112.1M1 V57 C68 I70 N75 E76 L77 E81 I82 I83M1-T79 HydrophobicContact CE-CG2 4.38Å; V57-T79 HydrophobicContact CB-CG2 3.78Å; V57-T79 HydrophobicContact CG1-CG2 4.06Å; V57-T79 HydrophobicContact CG2-CG2 3.91Å; C68-T79 HydrophobicContact CB-CG2 3.75Å; I70-T79 HydrophobicContact CD1-CG2 4.46Å; I70-T79 WeakPolarHBondContact CD1-OG1 3.24Å; I70-T79 HydrophobicContact CG2-CG2 3.69Å; N75-T79 PolarHBondContact O-N 2.95Å; N75-T79 VanDerWaalsContact O-N 3.09Å; N75-T79 PolarHBondContact O-OG1 3.05Å; E76-T79 PolarHBondContact O-N 3.19Å; L77-T79 VanDerWaalsContact C-N 3.29Å; L77-T79 PolarHBondContact O-N 3.18Å; T79-E81 VanDerWaalsContact C-N 3.32Å; T79-I82 WeakPolarHBondContact O-CB 2.96Å; T79-I82 PolarHBondContact O-N 3.19Å; T79-I83 WeakPolarHBondContact O-CG1 3.45Å; T79-I83 PolarHBondContact O-N 2.67Å
80L98.4Very high97.8Very high33 Ų3352.4 Ų52.417%0.17326%0.257CS..Hα-helixtrans-64.6-38.5174.5-164.867.6000111.7F48 V57 K59 E76 L77 I78 I83 H84F48-L80 HydrophobicContact CE1-CB 4.48Å; F48-L80 HydrophobicContact CE1-CD2 4.45Å; F48-L80 HydrophobicContact CZ-CD2 4.41Å; V57-L80 HydrophobicContact CG1-CB 4.13Å; V57-L80 HydrophobicContact CG1-CD1 3.92Å; K59-L80 HydrophobicContact CB-CD1 3.91Å; K59-L80 HydrophobicContact CD-CD1 4.31Å; K59-L80 HydrophobicContact CG-CD1 4.38Å; E76-L80 PolarHBondContact O-N 3.43Å; L77-L80 WeakPolarHBondContact O-CB 3.37Å; L77-L80 PolarHBondContact O-N 2.92Å; I78-L80 VanDerWaalsContact C-N 3.3Å; I78-L80 PolarHBondContact O-N 3.42Å; L80-I83 PolarHBondContact O-N 3.47Å; L80-H84 PolarHBondContact O-N 3.09Å
81E98.3Very high97.8Very high116 Ų11656 Ų5654%0.54228%0.276SS..Hα-helixtrans-67.5-35.7172.3-74.5-59.3140.500112.5L77 I78 T79 H84 R85L77-E81 PolarHBondContact O-N 3.41Å; I78-E81 CarbonylContact O-C 3.58Å; I78-E81 WeakPolarHBondContact O-CB 3.28Å; I78-E81 PolarHBondContact O-N 2.87Å; I78-E81 VanDerWaalsContact O-N 3.15Å; T79-E81 VanDerWaalsContact C-N 3.32Å; E81-H84 PolarHBondContact O-N 3.19Å; E81-R85 VanDerWaalsContact O-CB 3.24Å; E81-R85 WeakPolarHBondContact O-CB 3.33Å; E81-R85 PolarHBondContact O-N 3.41Å
82I98.4Very high97.8Very high23 Ų2359.6 Ų59.612%0.11829%0.291CS..Hα-helixtrans-60.5-46172.5-71.4168.9000110.4M1 I78 T79 H84 R85 Y86 F116 L117 V122M1-I82 HydrophobicContact CE-CG2 4.14Å; I78-I82 HydrophobicContact CG2-CD1 4.24Å; I78-I82 WeakPolarHBondContact O-CG1 3.13Å; I78-I82 PolarHBondContact O-N 3.41Å; T79-I82 WeakPolarHBondContact O-CB 2.96Å; T79-I82 PolarHBondContact O-N 3.19Å; I82-H84 VanDerWaalsContact C-N 3.33Å; I82-H84 PolarHBondContact O-N 2.96Å; I82-R85 PolarHBondContact O-N 3.02Å; I82-Y86 PolarHBondContact O-N 3.25Å; I82-F116 HydrophobicContact CB-CZ 4.46Å; I82-F116 HydrophobicContact CG2-CE1 3.75Å; I82-F116 HydrophobicContact CG2-CZ 3.96Å; I82-L117 HydrophobicContact CG2-CD1 4.05Å; I82-L117 HydrophobicContact CG2-CD2 3.99Å; I82-V122 HydrophobicContact CD1-CG2 3.49Å; I82-V122 VanDerWaalsContact CD1-CG2 3.49Å; I82-V122 HydrophobicContact CG1-CG2 3.69Å
83I98.6Very high97.9Very high0 Ų057.4 Ų57.40%028%0.275CS..Hα-helixtrans-58.4-48.2174.5-69.5171000110.1M4 V57 K59 Y61 F66 C68 T79 L80 R85 Y86 V87M4-I83 HydrophobicContact CE-CG1 4.45Å; V57-I83 HydrophobicContact CG1-CD1 4.11Å; K59-I83 HydrophobicContact CB-CG2 4.17Å; Y61-I83 HydrophobicContact CE2-CG2 3.94Å; F66-I83 HydrophobicContact CB-CD1 4.44Å; F66-I83 HydrophobicContact CB-CG1 4.45Å; F66-I83 HydrophobicContact CB-CG2 3.45Å; F66-I83 VanDerWaalsContact CB-CG2 3.45Å; F66-I83 HydrophobicContact CD1-CG2 4.24Å; F66-I83 HydrophobicContact CG-CG2 3.94Å; C68-I83 HydrophobicContact CB-CD1 4.44Å; T79-I83 WeakPolarHBondContact O-CG1 3.45Å; T79-I83 PolarHBondContact O-N 2.67Å; L80-I83 PolarHBondContact O-N 3.47Å; I83-R85 VanDerWaalsContact C-N 3.34Å; I83-R85 PolarHBondContact O-N 3.44Å; I83-Y86 PolarHBondContact O-N 3.36Å; I83-V87 WeakPolarHBondContact O-CG2 3.37Å; I83-V87 PolarHBondContact O-N 3.15Å; I83-V87 VanDerWaalsContact O-N 3.09Å
84H98.3Very high98Very high67 Ų6753 Ų5331%0.3125%0.254SS..Hα-helixtrans-62-43.9-178.8-171.834.2000111.7Y61 L80 E81 I82 Y86 V87 E88Y61-H84 AromaticContact CE1-ND1 3.82Å; Y61-H84 AromaticContact CZ-ND1 3.76Å; Y61-H84 WeakPolarHBondContact OH-CA 3.19Å; Y61-H84 WeakPolarHBondContact OH-CB 3.14Å; Y61-H84 PolarHBondContact OH-ND1 2.86Å; Y61-H84 VanDerWaalsContact OH-ND1 3.08Å; L80-H84 PolarHBondContact O-N 3.09Å; E81-H84 PolarHBondContact O-N 3.19Å; I82-H84 VanDerWaalsContact C-N 3.33Å; I82-H84 PolarHBondContact O-N 2.96Å; H84-Y86 VanDerWaalsContact C-N 3.33Å; H84-Y86 PolarHBondContact O-N 2.98Å; H84-V87 WeakPolarHBondContact O-CB 3.44Å; H84-V87 PolarHBondContact O-N 3.31Å; H84-V87 VanDerWaalsContact O-N 3.13Å; H84-E88 WeakPolarHBondContact O-CG 3.2Å; H84-E88 PolarHBondContact O-N 2.78Å
85R98.4Very high97.8Very high72 Ų7253.6 Ų53.627%0.27227%0.27SS..Hα-helixtrans-58.6-43.7176.8178.256.460.577.65112.1E81 I82 I83 V87 E88 L89 F116 T125E81-R85 VanDerWaalsContact O-CB 3.24Å; E81-R85 WeakPolarHBondContact O-CB 3.33Å; E81-R85 PolarHBondContact O-N 3.41Å; I82-R85 PolarHBondContact O-N 3.02Å; I83-R85 VanDerWaalsContact C-N 3.34Å; I83-R85 PolarHBondContact O-N 3.44Å; R85-V87 VanDerWaalsContact C-N 3.32Å; R85-V87 PolarHBondContact O-N 2.98Å; R85-E88 IonicContact NE-OE2 2.82Å; R85-E88 PolarHBondContact NE-OE2 3.46Å; R85-E88 PolarHBondContact O-N 3.23Å; R85-L89 HydrophobicContact CG-CD1 4.41Å; R85-L89 WeakPolarHBondContact O-CG 3.35Å; R85-L89 PolarHBondContact O-N 3.49Å; R85-F116 HydrophobicContact CB-CE1 4.34Å; R85-F116 HydrophobicContact CB-CZ 3.86Å; R85-F116 HydrophobicContact CG-CE1 4.17Å; R85-F116 HydrophobicContact CG-CE2 3.72Å; R85-F116 HydrophobicContact CG-CZ 3.52Å; R85-T125 PolarHBondContact NH1-O 3.01Å
86Y98.6Very high97.6Very high0 Ų054.9 Ų54.90%028%0.284CS..Hα-helixtrans-63.8-39.3176.7-179-124.3000111.9M4 L6 F66 I82 I83 H84 E88 L89 L90 A109 I112 L113 F116M4-Y86 HydrophobicContact CE-CD1 3.53Å; M4-Y86 HydrophobicContact CE-CE1 4.08Å; M4-Y86 HydrophobicContact CE-CG 4.34Å; M4-Y86 HydrophobicContact SD-CD1 4.49Å; L6-Y86 HydrophobicContact CD1-CE1 4.38Å; L6-Y86 HydrophobicContact CD2-CE1 4.24Å; F66-Y86 HydrophobicContact CD1-CD1 4.17Å; F66-Y86 AromaticContact CE1-CD1 3.81Å; F66-Y86 HydrophobicContact CE1-CD1 3.81Å; F66-Y86 HydrophobicContact CE1-CE1 4.02Å; I82-Y86 PolarHBondContact O-N 3.25Å; I83-Y86 PolarHBondContact O-N 3.36Å; H84-Y86 VanDerWaalsContact C-N 3.33Å; H84-Y86 PolarHBondContact O-N 2.98Å; Y86-E88 VanDerWaalsContact C-N 3.35Å; Y86-E88 PolarHBondContact O-N 3.26Å; Y86-L89 WeakPolarHBondContact O-CB 3.2Å; Y86-L89 PolarHBondContact O-N 3.47Å; Y86-L90 HydrophobicContact CD1-CD1 3.96Å; Y86-L90 HydrophobicContact CD2-CG 4.39Å; Y86-L90 HydrophobicContact CE1-CD1 3.61Å; Y86-L90 HydrophobicContact CE1-CG 4.31Å; Y86-L90 HydrophobicContact CE2-CD1 4.24Å; Y86-L90 HydrophobicContact CE2-CD2 4.13Å; Y86-L90 HydrophobicContact CE2-CG 4.04Å; Y86-L90 HydrophobicContact CG-CD1 4.43Å; Y86-L90 WeakPolarHBondContact O-CG 3.48Å; Y86-L90 PolarHBondContact O-N 3.42Å; Y86-A109 PolarHBondContact OH-O 3.34Å; Y86-I112 HydrophobicContact CD2-CG2 4.35Å; Y86-I112 HydrophobicContact CE2-CB 4.39Å; Y86-I112 HydrophobicContact CE2-CG2 4Å; Y86-L113 HydrophobicContact CD1-CD1 4.33Å; Y86-L113 HydrophobicContact CD2-CD1 3.92Å; Y86-L113 HydrophobicContact CE1-CD1 4.22Å; Y86-L113 HydrophobicContact CE2-CB 3.68Å; Y86-L113 HydrophobicContact CE2-CD1 3.82Å; Y86-L113 HydrophobicContact CE2-CG 4.34Å; Y86-L113 HydrophobicContact CG-CD1 4.18Å; Y86-F116 HydrophobicContact CD2-CD1 4.3Å
87V98.3Very high97.4Very high21 Ų2154.3 Ų54.313%0.12728%0.284CS..Hα-helixtrans-62-41.5173174.80000111.7Y61 F66 I83 H84 R85 L89 L90 D91Y61-V87 HydrophobicContact CD1-CG1 4.01Å; Y61-V87 HydrophobicContact CD1-CG2 4.46Å; Y61-V87 HydrophobicContact CD2-CG2 3.8Å; Y61-V87 HydrophobicContact CE1-CG1 4.24Å; Y61-V87 HydrophobicContact CE2-CG2 3.88Å; Y61-V87 HydrophobicContact CG-CG1 4.27Å; Y61-V87 HydrophobicContact CG-CG2 4.12Å; F66-V87 HydrophobicContact CD1-CG2 4.19Å; F66-V87 HydrophobicContact CD2-CG2 4.31Å; F66-V87 HydrophobicContact CE1-CG2 3.72Å; F66-V87 HydrophobicContact CE2-CG2 3.88Å; F66-V87 HydrophobicContact CG-CG2 4.48Å; F66-V87 HydrophobicContact CZ-CG2 3.57Å; I83-V87 WeakPolarHBondContact O-CG2 3.37Å; I83-V87 PolarHBondContact O-N 3.15Å; I83-V87 VanDerWaalsContact O-N 3.09Å; H84-V87 WeakPolarHBondContact O-CB 3.44Å; H84-V87 PolarHBondContact O-N 3.31Å; H84-V87 VanDerWaalsContact O-N 3.13Å; R85-V87 VanDerWaalsContact C-N 3.32Å; R85-V87 PolarHBondContact O-N 2.98Å; V87-L89 VanDerWaalsContact C-N 3.34Å; V87-L89 PolarHBondContact O-N 3.23Å; V87-L90 PolarHBondContact O-N 3.13Å; V87-D91 WeakPolarHBondContact O-CB 3.3Å; V87-D91 PolarHBondContact O-N 3.42Å
88E98.1Very high97.3Very high61 Ų6152 Ų5229%0.28528%0.276SS..Hα-helixtrans-64.5-36.8175.9-65.6-174.9115.300112.8H84 R85 Y86 K92 K127H84-E88 WeakPolarHBondContact O-CG 3.2Å; H84-E88 PolarHBondContact O-N 2.78Å; R85-E88 IonicContact NE-OE2 2.82Å; R85-E88 PolarHBondContact NE-OE2 3.46Å; R85-E88 PolarHBondContact O-N 3.23Å; Y86-E88 VanDerWaalsContact C-N 3.35Å; Y86-E88 PolarHBondContact O-N 3.26Å; E88-K92 VanDerWaalsContact O-CB 3.28Å; E88-K92 WeakPolarHBondContact O-CB 3.42Å; E88-K92 PolarHBondContact O-N 2.97Å; E88-K127 HydrophobicContact CB-CD 3.96Å; E88-K127 IonicContact OE1-NZ 2.78Å; E88-K127 PolarHBondContact OE1-NZ 3.39Å; E88-K127 WeakPolarHBondContact OE2-CD 3.48Å; E88-K127 WeakPolarHBondContact OE2-CE 3.39Å; E88-K127 IonicContact OE2-NZ 3.46Å; E88-K127 PolarHBondContact OE2-NZ 3.28Å
89L98.4Very high97.2Very high0 Ų048.5 Ų48.50%026%0.258CS..Hα-helixtrans-64.5-47.6175.3-72.8168.8000110.9R85 Y86 V87 D91 K92 Y93 I112 F116 K127 V130 L131R85-L89 HydrophobicContact CG-CD1 4.41Å; R85-L89 WeakPolarHBondContact O-CG 3.35Å; R85-L89 PolarHBondContact O-N 3.49Å; Y86-L89 WeakPolarHBondContact O-CB 3.2Å; Y86-L89 PolarHBondContact O-N 3.47Å; V87-L89 VanDerWaalsContact C-N 3.34Å; V87-L89 PolarHBondContact O-N 3.23Å; L89-D91 PolarHBondContact O-N 2.92Å; L89-K92 PolarHBondContact O-N 2.96Å; L89-Y93 WeakPolarHBondContact O-CB 3.4Å; L89-Y93 PolarHBondContact O-N 3.49Å; L89-I112 HydrophobicContact CB-CG2 3.84Å; L89-I112 HydrophobicContact CD1-CG2 4.46Å; L89-F116 HydrophobicContact CD1-CB 3.9Å; L89-F116 HydrophobicContact CD1-CD1 4.08Å; L89-F116 HydrophobicContact CD1-CD2 4.1Å; L89-F116 HydrophobicContact CD1-CG 3.75Å; L89-K127 HydrophobicContact CD2-CB 4.1Å; L89-K127 HydrophobicContact CD2-CG 4.03Å; L89-K127 HydrophobicContact CG-CG 4.48Å; L89-V130 HydrophobicContact CD1-CB 4.48Å; L89-V130 HydrophobicContact CD1-CG1 3.99Å; L89-V130 HydrophobicContact CD2-CB 3.87Å; L89-V130 HydrophobicContact CD2-CG1 3.86Å; L89-L131 HydrophobicContact CD2-CD1 4.4Å; L89-L131 HydrophobicContact CD2-CD2 4.3Å; L89-L131 HydrophobicContact CD2-CG 3.96Å
90L98.3Very high97.1Very high1 Ų153 Ų531%0.00528%0.281CS..Hα-helixtrans-59.2-46.4175.1-69.1170.4000111.3F66 Y86 V87 K92 Y93 F94 V97 I102 A109 I112F66-L90 HydrophobicContact CE1-CD1 4.27Å; F66-L90 HydrophobicContact CZ-CD1 4.39Å; Y86-L90 HydrophobicContact CD1-CD1 3.96Å; Y86-L90 HydrophobicContact CD2-CG 4.39Å; Y86-L90 HydrophobicContact CE1-CD1 3.61Å; Y86-L90 HydrophobicContact CE1-CG 4.31Å; Y86-L90 HydrophobicContact CE2-CD1 4.24Å; Y86-L90 HydrophobicContact CE2-CD2 4.13Å; Y86-L90 HydrophobicContact CE2-CG 4.04Å; Y86-L90 HydrophobicContact CG-CD1 4.43Å; Y86-L90 WeakPolarHBondContact O-CG 3.48Å; Y86-L90 PolarHBondContact O-N 3.42Å; V87-L90 PolarHBondContact O-N 3.13Å; L90-K92 VanDerWaalsContact C-N 3.32Å; L90-K92 PolarHBondContact O-N 2.98Å; L90-Y93 PolarHBondContact O-N 3.49Å; L90-F94 HydrophobicContact CB-CD2 4.46Å; L90-F94 HydrophobicContact CD2-CD2 4.36Å; L90-F94 HydrophobicContact CD2-CE2 3.86Å; L90-F94 VanDerWaalsContact O-CD2 3.31Å; L90-F94 WeakPolarHBondContact O-CD2 3.19Å; L90-F94 PolarHBondContact O-N 2.88Å; L90-V97 HydrophobicContact CB-CG1 4.29Å; L90-V97 HydrophobicContact CB-CG2 4.24Å; L90-I102 HydrophobicContact CD1-CD1 4.21Å; L90-A109 HydrophobicContact CD2-CB 4.08Å; L90-I112 HydrophobicContact CD2-CD1 4.05Å
91D97.6Very high97.1Very high76 Ų7653.6 Ų53.641%0.40629%0.285SS..Hα-helixtrans-62-40.3179.5-172.163000112.5V87 L89 G95 S96 V97V87-D91 WeakPolarHBondContact O-CB 3.3Å; V87-D91 PolarHBondContact O-N 3.42Å; L89-D91 PolarHBondContact O-N 2.92Å; D91-G95 VanDerWaalsContact O-CA 3.28Å; D91-G95 WeakPolarHBondContact O-CA 3.45Å; D91-G95 PolarHBondContact O-N 3.33Å; D91-S96 PolarHBondContact O-N 3.4Å; D91-S96 WeakPolarHBondContact OD1-CA 3.41Å; D91-S96 PolarHBondContact OD1-N 3.33Å; D91-V97 HydrophobicContact CB-CG1 3.81Å; D91-V97 PolarHBondContact OD1-N 2.96Å
92K97.4Very high97Very high152 Ų15248.2 Ų48.266%0.66126%0.259SS*.Hα-helixtrans-72-35.1179.4-171.558.5176.7174.70112.7E88 L89 L90 L131E88-K92 VanDerWaalsContact O-CB 3.28Å; E88-K92 WeakPolarHBondContact O-CB 3.42Å; E88-K92 PolarHBondContact O-N 2.97Å; L89-K92 PolarHBondContact O-N 2.96Å; L90-K92 VanDerWaalsContact C-N 3.32Å; L90-K92 PolarHBondContact O-N 2.98Å; K92-L131 HydrophobicContact CB-CD1 3.85Å; K92-L131 HydrophobicContact CB-CD2 4.33Å; K92-L131 HydrophobicContact CG-CD1 3.32Å; K92-L131 HydrophobicContact CG-CD2 4.38Å; K92-L131 HydrophobicContact CG-CG 4.49Å
93Y97.4Very high96.9Very high61 Ų6149.8 Ų49.824%0.23927%0.268CS..Hα-helixtrans-72.8-51.5177.5-179.2-96.3000112L89 L90 K108 I112 I134 D138L89-Y93 WeakPolarHBondContact O-CB 3.4Å; L89-Y93 PolarHBondContact O-N 3.49Å; L90-Y93 PolarHBondContact O-N 3.49Å; Y93-K108 HydrophobicContact CE1-CB 4.03Å; Y93-K108 HydrophobicContact CE1-CG 4.41Å; Y93-I112 HydrophobicContact CD1-CD1 3.57Å; Y93-I112 HydrophobicContact CD2-CD1 4.16Å; Y93-I112 HydrophobicContact CE1-CD1 4.12Å; Y93-I112 HydrophobicContact CG-CD1 3.57Å; Y93-I112 HydrophobicContact CG-CG1 4.47Å; Y93-I134 HydrophobicContact CD2-CG2 3.87Å; Y93-I134 HydrophobicContact CE2-CG2 3.44Å; Y93-I134 VanDerWaalsContact CE2-CG2 3.44Å; Y93-D138 VanDerWaalsContact CE2-OD2 3.3Å; Y93-D138 WeakPolarHBondContact CE2-OD2 3.46Å; Y93-D138 PolarHBondContact OH-OD2 3.26Å
94F96.3Very high96.9Very high46 Ų4656.9 Ų56.920%0.20230%0.298CS..Hα-helixtrans-80.9-22.4-177.1-70.4-68.5000113.8L90 V97 D101 N105 K108 I112L90-F94 HydrophobicContact CB-CD2 4.46Å; L90-F94 HydrophobicContact CD2-CD2 4.36Å; L90-F94 HydrophobicContact CD2-CE2 3.86Å; L90-F94 VanDerWaalsContact O-CD2 3.31Å; L90-F94 WeakPolarHBondContact O-CD2 3.19Å; L90-F94 PolarHBondContact O-N 2.88Å; F94-V97 HydrophobicContact CB-CB 4.08Å; F94-V97 HydrophobicContact CB-CG2 4.15Å; F94-V97 HydrophobicContact CD2-CB 4.35Å; F94-V97 HydrophobicContact CD2-CG2 3.7Å; F94-V97 HydrophobicContact CG-CG2 4.2Å; F94-D101 HydrophobicContact CB-CB 4.44Å; F94-D101 HydrophobicContact CD1-CB 3.91Å; F94-D101 HydrophobicContact CD2-CB 4.44Å; F94-D101 HydrophobicContact CE1-CB 4.27Å; F94-D101 HydrophobicContact CG-CB 4.01Å; F94-N105 HydrophobicContact CE1-CB 3.77Å; F94-N105 HydrophobicContact CZ-CB 3.96Å; F94-K108 HydrophobicContact CZ-CB 4.21Å; F94-I112 HydrophobicContact CE2-CD1 4.41Å
95G93.6Very high96.8Very high53 Ų5356.4 Ų56.455%0.54630%0.298SS..THydrogen-bonded Turntrans73.382.6-177.800000112.7D91D91-G95 VanDerWaalsContact O-CA 3.28Å; D91-G95 WeakPolarHBondContact O-CA 3.45Å; D91-G95 PolarHBondContact O-N 3.33Å
96S91.9Very high96.7Very high102 Ų10258.2 Ų58.271%0.71331%0.308SS*.SBendtrans72.263.2-170.3-47.80000112.4D91D91-S96 PolarHBondContact O-N 3.4Å; D91-S96 WeakPolarHBondContact OD1-CA 3.41Å; D91-S96 PolarHBondContact OD1-N 3.33Å
97V95.8Very high96.5Very high37 Ų3761.3 Ų61.322%0.22432%0.323CS..  trans-60.7137.6-171.866.30000112.6L90 D91 F94 D101 I102L90-V97 HydrophobicContact CB-CG1 4.29Å; L90-V97 HydrophobicContact CB-CG2 4.24Å; D91-V97 HydrophobicContact CB-CG1 3.81Å; D91-V97 PolarHBondContact OD1-N 2.96Å; F94-V97 HydrophobicContact CB-CB 4.08Å; F94-V97 HydrophobicContact CB-CG2 4.15Å; F94-V97 HydrophobicContact CD2-CB 4.35Å; F94-V97 HydrophobicContact CD2-CG2 3.7Å; F94-V97 HydrophobicContact CG-CG2 4.2Å; V97-D101 HydrophobicContact CG2-CB 4.35Å; V97-I102 HydrophobicContact CG2-CD1 4.34Å; V97-I102 HydrophobicContact CG2-CG1 4.27Å
98C95.4Very high96.5Very high59 Ų5961.8 Ų61.840%0.39932%0.323SS..  trans-125.1171.5170.479.70000112.3L100 D101C98-L100 PolarHBondContact O-N 3.41Å; C98-D101 PolarHBondContact N-OD2 3.3Å; C98-D101 PolarHBondContact O-N 2.9Å; C98-D101 VanDerWaalsContact SG-CG 3.59Å; C98-D101 PolarHBondContact SG-OD2 3.15Å
99E96.1Very high96.5Very high31 Ų3158.9 Ų58.915%0.14531%0.309CS..Hα-helixtrans-60.9-32.1178.8172173.4-177.400112.7S8 R14 S63 L64 I102 I103S8-E99 WeakPolarHBondContact CB-OE1 3.33Å; R14-E99 IonicContact CZ-OE1 2.87Å; R14-E99 VanDerWaalsContact CZ-OE1 3.22Å; R14-E99 IonicContact NE-OE1 2.77Å; R14-E99 PolarHBondContact NE-OE1 3.12Å; R14-E99 IonicContact NH2-OE1 3.86Å; R14-E99 PolarHBondContact NH2-OE1 3.37Å; S63-E99 WeakPolarHBondContact CB-OE2 3.36Å; S63-E99 PolarHBondContact OG-OE2 2.96Å; L64-E99 HydrophobicContact CD1-CB 4.02Å; L64-E99 HydrophobicContact CD1-CG 4.4Å; L64-E99 HydrophobicContact CD2-CB 4.25Å; L64-E99 HydrophobicContact CD2-CG 3.84Å; L64-E99 HydrophobicContact CG-CB 4.02Å; L64-E99 HydrophobicContact CG-CG 4.19Å; E99-I102 PolarHBondContact O-N 3.46Å; E99-I103 HydrophobicContact CG-CD1 3.78Å; E99-I103 HydrophobicContact CG-CG1 4.4Å; E99-I103 WeakPolarHBondContact O-CD1 3.45Å; E99-I103 VanDerWaalsContact O-CG1 3.29Å; E99-I103 WeakPolarHBondContact O-CG1 3.28Å; E99-I103 PolarHBondContact O-N 2.95Å; E99-I103 VanDerWaalsContact O-N 3.12Å
100L96.7Very high96.5Very high102 Ų10261.4 Ų61.453%0.53432%0.32SS..Hα-helixtrans-67.4-37.6179-69.5173.4000111.6C98 I102 I103 F104C98-L100 PolarHBondContact O-N 3.41Å; L100-I102 VanDerWaalsContact C-N 3.27Å; L100-I102 PolarHBondContact O-N 3.08Å; L100-I103 HydrophobicContact CD2-CD1 4.23Å; L100-I103 WeakPolarHBondContact O-CB 3.22Å; L100-I103 PolarHBondContact O-N 2.84Å; L100-F104 HydrophobicContact CB-CD2 4.18Å; L100-F104 HydrophobicContact CB-CE2 4.2Å; L100-F104 HydrophobicContact CD2-CE2 4.12Å; L100-F104 WeakPolarHBondContact O-CD2 3.49Å; L100-F104 PolarHBondContact O-N 2.98Å
101D97.2Very high96.4Very high46 Ų4666 Ų6625%0.24634%0.339CS..Hα-helixtrans-60.3-40.9178.7-55-41.8000111.1F94 V97 C98 N105F94-D101 HydrophobicContact CB-CB 4.44Å; F94-D101 HydrophobicContact CD1-CB 3.91Å; F94-D101 HydrophobicContact CD2-CB 4.44Å; F94-D101 HydrophobicContact CE1-CB 4.27Å; F94-D101 HydrophobicContact CG-CB 4.01Å; V97-D101 HydrophobicContact CG2-CB 4.35Å; C98-D101 PolarHBondContact N-OD2 3.3Å; C98-D101 PolarHBondContact O-N 2.9Å; C98-D101 VanDerWaalsContact SG-CG 3.59Å; C98-D101 PolarHBondContact SG-OD2 3.15Å; D101-N105 WeakPolarHBondContact O-CB 3.36Å; D101-N105 PolarHBondContact O-N 2.87Å; D101-N105 PolarHBondContact O-ND2 3.05Å
102I97.1Very high96.5Very high3 Ų362.3 Ų62.32%0.01532%0.32CS..Hα-helixtrans-69.5-33175.9-62.9167.3000111.5R14 L64 L90 V97 E99 L100 F106 A109R14-I102 HydrophobicContact CB-CG2 4.17Å; L64-I102 HydrophobicContact CD1-CD1 3.57Å; L90-I102 HydrophobicContact CD1-CD1 4.21Å; V97-I102 HydrophobicContact CG2-CD1 4.34Å; V97-I102 HydrophobicContact CG2-CG1 4.27Å; E99-I102 PolarHBondContact O-N 3.46Å; L100-I102 VanDerWaalsContact C-N 3.27Å; L100-I102 PolarHBondContact O-N 3.08Å; I102-F106 WeakPolarHBondContact O-CA 3.27Å; I102-F106 WeakPolarHBondContact O-CB 3.44Å; I102-F106 PolarHBondContact O-N 2.86Å; I102-A109 HydrophobicContact CG2-CB 4.33Å
103I96.6Very high96.5Very high56 Ų5655.1 Ų55.129%0.28729%0.289SS..Hα-helixtrans-70.1-43.7177.4-70.9163.4000111.1E99 L100E99-I103 HydrophobicContact CG-CD1 3.78Å; E99-I103 HydrophobicContact CG-CG1 4.4Å; E99-I103 WeakPolarHBondContact O-CD1 3.45Å; E99-I103 VanDerWaalsContact O-CG1 3.29Å; E99-I103 WeakPolarHBondContact O-CG1 3.28Å; E99-I103 PolarHBondContact O-N 2.95Å; E99-I103 VanDerWaalsContact O-N 3.12Å; L100-I103 HydrophobicContact CD2-CD1 4.23Å; L100-I103 WeakPolarHBondContact O-CB 3.22Å; L100-I103 PolarHBondContact O-N 2.84Å
104F96.9Very high96.5Very high148 Ų14854.8 Ų54.865%0.64929%0.291SS*.Hα-helixtrans-80.4-30.7-176.1-74.2-65.3000112.9L100L100-F104 HydrophobicContact CB-CD2 4.18Å; L100-F104 HydrophobicContact CB-CE2 4.2Å; L100-F104 HydrophobicContact CD2-CE2 4.12Å; L100-F104 WeakPolarHBondContact O-CD2 3.49Å; L100-F104 PolarHBondContact O-N 2.98Å
105N96.4Very high96.6Very high58 Ų5855.6 Ų55.631%0.3130%0.295SS..THydrogen-bonded Turntrans-121.750.2-178-46.4-81.6000110.3F94 D101 E107 K108 A109F94-N105 HydrophobicContact CE1-CB 3.77Å; F94-N105 HydrophobicContact CZ-CB 3.96Å; D101-N105 WeakPolarHBondContact O-CB 3.36Å; D101-N105 PolarHBondContact O-N 2.87Å; D101-N105 PolarHBondContact O-ND2 3.05Å; N105-E107 VanDerWaalsContact C-N 3.25Å; N105-E107 WeakPolarHBondContact CA-OE1 3.29Å; N105-E107 PolarHBondContact O-N 3.27Å; N105-K108 HydrophobicContact CB-CB 4.2Å; N105-K108 HydrophobicContact CB-CG 4.19Å; N105-K108 PolarHBondContact O-N 2.96Å; N105-A109 PolarHBondContact O-N 2.86Å
106F96Very high96.8Very high110 Ų11053.2 Ų53.248%0.48227%0.27SS..Hα-helixtrans-63.3-36.4-173.671.9-88.9000111.2I102 A109 Y110I102-F106 WeakPolarHBondContact O-CA 3.27Å; I102-F106 WeakPolarHBondContact O-CB 3.44Å; I102-F106 PolarHBondContact O-N 2.86Å; F106-A109 WeakPolarHBondContact O-CB 3.23Å; F106-A109 PolarHBondContact O-N 2.82Å; F106-Y110 HydrophobicContact CD2-CD2 4.12Å; F106-Y110 HydrophobicContact CD2-CE2 4.07Å; F106-Y110 WeakPolarHBondContact O-CD2 3.39Å; F106-Y110 PolarHBondContact O-N 3.27Å
107E95.9Very high97.1Very high65 Ų6548.4 Ų48.430%0.30424%0.236SC..Hα-helixtrans-59.2-43.9175.164.1-68.4159.400111.9N105 A109 Y110 F111N105-E107 VanDerWaalsContact C-N 3.25Å; N105-E107 WeakPolarHBondContact CA-OE1 3.29Å; N105-E107 PolarHBondContact O-N 3.27Å; E107-A109 VanDerWaalsContact C-N 3.31Å; E107-A109 PolarHBondContact O-N 2.77Å; E107-Y110 WeakPolarHBondContact O-CB 3.37Å; E107-Y110 PolarHBondContact O-N 2.9Å; E107-Y110 VanDerWaalsContact O-N 3.09Å; E107-F111 HydrophobicContact CB-CE2 4.38Å; E107-F111 HydrophobicContact CB-CZ 4.21Å; E107-F111 HydrophobicContact CG-CE2 4.47Å; E107-F111 WeakPolarHBondContact O-CD1 3.34Å; E107-F111 VanDerWaalsContact O-CG 3.24Å; E107-F111 WeakPolarHBondContact O-CG 3.48Å; E107-F111 PolarHBondContact O-N 3.09Å
108K96.6Very high97.2Very high30 Ų3051.9 Ų51.913%0.1325%0.253CS..Hα-helixtrans-63.8-38175.6-60.6-57.1-170178.40111.3Y93 F94 N105 Y110 F111 I112 D138Y93-K108 HydrophobicContact CE1-CB 4.03Å; Y93-K108 HydrophobicContact CE1-CG 4.41Å; F94-K108 HydrophobicContact CZ-CB 4.21Å; N105-K108 HydrophobicContact CB-CB 4.2Å; N105-K108 HydrophobicContact CB-CG 4.19Å; N105-K108 PolarHBondContact O-N 2.96Å; K108-Y110 VanDerWaalsContact C-N 3.32Å; K108-Y110 PolarHBondContact O-N 3.45Å; K108-F111 HydrophobicContact CD-CD2 3.87Å; K108-F111 HydrophobicContact CD-CE2 4.23Å; K108-F111 PolarHBondContact O-N 2.99Å; K108-I112 WeakPolarHBondContact O-CD1 3.43Å; K108-I112 VanDerWaalsContact O-CG1 3.25Å; K108-I112 WeakPolarHBondContact O-CG1 3.5Å; K108-I112 PolarHBondContact O-N 3.08Å; K108-D138 IonicContact NZ-OD1 2.79Å; K108-D138 PolarHBondContact NZ-OD1 2.87Å
109A98.1Very high97.2Very high0 Ų051.9 Ų51.90%026%0.263CS..Hα-helixtrans-62.2-38.5173.200000112.4L15 Y86 L90 I102 N105 F106 E107 L113L15-A109 HydrophobicContact CD1-CB 4.17Å; Y86-A109 PolarHBondContact OH-O 3.34Å; L90-A109 HydrophobicContact CD2-CB 4.08Å; I102-A109 HydrophobicContact CG2-CB 4.33Å; N105-A109 PolarHBondContact O-N 2.86Å; F106-A109 WeakPolarHBondContact O-CB 3.23Å; F106-A109 PolarHBondContact O-N 2.82Å; E107-A109 VanDerWaalsContact C-N 3.31Å; E107-A109 PolarHBondContact O-N 2.77Å; A109-L113 WeakPolarHBondContact O-CB 3.29Å; A109-L113 PolarHBondContact O-N 3.03Å
110Y98.3Very high97.2Very high54 Ų5450.5 Ų50.521%0.21226%0.257CS..Hα-helixtrans-66.8-41.7172.2-81.4-81.9000112.3L15 Q16 K17 F106 E107 K108 L113 D114L15-Y110 HydrophobicContact CD1-CD1 4.19Å; L15-Y110 HydrophobicContact CD1-CD2 4.17Å; L15-Y110 HydrophobicContact CD1-CE1 4.23Å; L15-Y110 HydrophobicContact CD1-CE2 4.19Å; L15-Y110 HydrophobicContact CD1-CG 4.16Å; L15-Y110 HydrophobicContact CD2-CE1 4.03Å; L15-Y110 HydrophobicContact CG-CD1 4.2Å; L15-Y110 HydrophobicContact CG-CD2 4.39Å; L15-Y110 HydrophobicContact CG-CE1 3.73Å; L15-Y110 HydrophobicContact CG-CE2 3.93Å; Q16-Y110 PolarHBondContact N-OH 2.82Å; Q16-Y110 PolarHBondContact O-OH 3.41Å; K17-Y110 HydrophobicContact CD-CD1 4.37Å; K17-Y110 HydrophobicContact CD-CE1 4.45Å; F106-Y110 HydrophobicContact CD2-CD2 4.12Å; F106-Y110 HydrophobicContact CD2-CE2 4.07Å; F106-Y110 WeakPolarHBondContact O-CD2 3.39Å; F106-Y110 PolarHBondContact O-N 3.27Å; E107-Y110 WeakPolarHBondContact O-CB 3.37Å; E107-Y110 PolarHBondContact O-N 2.9Å; E107-Y110 VanDerWaalsContact O-N 3.09Å; K108-Y110 VanDerWaalsContact C-N 3.32Å; K108-Y110 PolarHBondContact O-N 3.45Å; Y110-L113 WeakPolarHBondContact O-CB 3.28Å; Y110-L113 PolarHBondContact O-N 3.44Å; Y110-D114 WeakPolarHBondContact O-CB 3.48Å; Y110-D114 VanDerWaalsContact O-CG 3.27Å; Y110-D114 PolarHBondContact O-N 2.6Å
111F97.8Very high97.2Very high96 Ų9651 Ų5142%0.42126%0.257SS..Hα-helixtrans-62.4-45.9178.7-60.2-20.7000111.6E107 K108 L113 D114 E115 I134E107-F111 HydrophobicContact CB-CE2 4.38Å; E107-F111 HydrophobicContact CB-CZ 4.21Å; E107-F111 HydrophobicContact CG-CE2 4.47Å; E107-F111 WeakPolarHBondContact O-CD1 3.34Å; E107-F111 VanDerWaalsContact O-CG 3.24Å; E107-F111 WeakPolarHBondContact O-CG 3.48Å; E107-F111 PolarHBondContact O-N 3.09Å; K108-F111 HydrophobicContact CD-CD2 3.87Å; K108-F111 HydrophobicContact CD-CE2 4.23Å; K108-F111 PolarHBondContact O-N 2.99Å; F111-L113 VanDerWaalsContact C-N 3.27Å; F111-L113 PolarHBondContact O-N 3.01Å; F111-D114 PolarHBondContact O-N 3.29Å; F111-E115 PolarHBondContact O-N 3.03Å; F111-I134 HydrophobicContact CB-CD1 4.17Å; F111-I134 WeakPolarHBondContact O-CD1 3.49Å
112I98.2Very high97.2Very high0 Ų051.4 Ų51.40%026%0.261CS..Hα-helixtrans-60.6-40174.7-63.3161.4000110.9Y86 L89 L90 Y93 F94 K108 D114 F116 I134Y86-I112 HydrophobicContact CD2-CG2 4.35Å; Y86-I112 HydrophobicContact CE2-CB 4.39Å; Y86-I112 HydrophobicContact CE2-CG2 4Å; L89-I112 HydrophobicContact CB-CG2 3.84Å; L89-I112 HydrophobicContact CD1-CG2 4.46Å; L90-I112 HydrophobicContact CD2-CD1 4.05Å; Y93-I112 HydrophobicContact CD1-CD1 3.57Å; Y93-I112 HydrophobicContact CD2-CD1 4.16Å; Y93-I112 HydrophobicContact CE1-CD1 4.12Å; Y93-I112 HydrophobicContact CG-CD1 3.57Å; Y93-I112 HydrophobicContact CG-CG1 4.47Å; F94-I112 HydrophobicContact CE2-CD1 4.41Å; K108-I112 WeakPolarHBondContact O-CD1 3.43Å; K108-I112 VanDerWaalsContact O-CG1 3.25Å; K108-I112 WeakPolarHBondContact O-CG1 3.5Å; K108-I112 PolarHBondContact O-N 3.08Å; I112-D114 VanDerWaalsContact C-N 3.34Å; I112-F116 WeakPolarHBondContact O-CB 3.25Å; I112-F116 PolarHBondContact O-N 2.85Å; I112-I134 HydrophobicContact CG1-CD1 4.29Å; I112-I134 HydrophobicContact CG1-CG1 4.11Å; I112-I134 HydrophobicContact CG1-CG2 4.23Å
113L98.3Very high97.3Very high0 Ų056 Ų560%028%0.282CS..Hα-helixtrans-65.2-40.4177.6-174.761.8000111.4M4 L15 K17 Y86 A109 Y110 F111 F116 L117M4-L113 HydrophobicContact SD-CD1 3.82Å; M4-L113 HydrophobicContact SD-CD2 4.41Å; L15-L113 HydrophobicContact CD1-CD2 4.28Å; L15-L113 HydrophobicContact CD2-CD2 3.67Å; K17-L113 HydrophobicContact CB-CD2 3.75Å; K17-L113 HydrophobicContact CG-CD2 4.06Å; Y86-L113 HydrophobicContact CD1-CD1 4.33Å; Y86-L113 HydrophobicContact CD2-CD1 3.92Å; Y86-L113 HydrophobicContact CE1-CD1 4.22Å; Y86-L113 HydrophobicContact CE2-CB 3.68Å; Y86-L113 HydrophobicContact CE2-CD1 3.82Å; Y86-L113 HydrophobicContact CE2-CG 4.34Å; Y86-L113 HydrophobicContact CG-CD1 4.18Å; A109-L113 WeakPolarHBondContact O-CB 3.29Å; A109-L113 PolarHBondContact O-N 3.03Å; Y110-L113 WeakPolarHBondContact O-CB 3.28Å; Y110-L113 PolarHBondContact O-N 3.44Å; F111-L113 VanDerWaalsContact C-N 3.27Å; F111-L113 PolarHBondContact O-N 3.01Å; L113-F116 PolarHBondContact O-N 3.31Å; L113-L117 HydrophobicContact CD1-CB 4.46Å; L113-L117 HydrophobicContact CD1-CD1 3.8Å; L113-L117 HydrophobicContact CD1-CG 4.2Å; L113-L117 PolarHBondContact O-N 3.01Å
114D97.8Very high97.3Very high54 Ų5455.6 Ų55.629%0.28928%0.279SS..Hα-helixtrans-74.9-29.7-176.7-73.1-2.5000112.4K17 Y110 F111 I112 F116K17-D114 WeakPolarHBondContact CE-OD1 3.37Å; K17-D114 IonicContact NZ-OD1 3.22Å; K17-D114 PolarHBondContact NZ-OD1 3.16Å; K17-D114 IonicContact NZ-OD2 3.76Å; K17-D114 PolarHBondContact NZ-OD2 2.92Å; Y110-D114 WeakPolarHBondContact O-CB 3.48Å; Y110-D114 VanDerWaalsContact O-CG 3.27Å; Y110-D114 PolarHBondContact O-N 2.6Å; F111-D114 PolarHBondContact O-N 3.29Å; I112-D114 VanDerWaalsContact C-N 3.34Å; D114-F116 VanDerWaalsContact C-N 3.3Å
115E97.8Very high97.2Very high63 Ų6353.6 Ų53.629%0.29428%0.279SS..Hα-helixtrans-72.6-26.5171.3-168.558.7-142.700112.1F111 Q123 V130 A133 I134F111-E115 PolarHBondContact O-N 3.03Å; E115-Q123 PolarHBondContact O-NE2 3Å; E115-V130 HydrophobicContact CB-CG1 4.07Å; E115-V130 HydrophobicContact CG-CB 4.43Å; E115-V130 HydrophobicContact CG-CG1 3.92Å; E115-A133 HydrophobicContact CG-CB 3.86Å; E115-A133 WeakPolarHBondContact OE1-CB 3.22Å; E115-I134 HydrophobicContact CB-CD1 3.74Å; E115-I134 HydrophobicContact CB-CG1 4.2Å; E115-I134 HydrophobicContact CG-CD1 4.21Å; E115-I134 HydrophobicContact CG-CG1 4.3Å
116F98.4Very high97.3Very high4 Ų452.7 Ų52.72%0.01828%0.277CS..Hα-helixtrans-88.7-44.9178.9175.9-135000113.4I82 R85 Y86 L89 I112 L113 D114 V122 Q123 E124 V130I82-F116 HydrophobicContact CB-CZ 4.46Å; I82-F116 HydrophobicContact CG2-CE1 3.75Å; I82-F116 HydrophobicContact CG2-CZ 3.96Å; R85-F116 HydrophobicContact CB-CE1 4.34Å; R85-F116 HydrophobicContact CB-CZ 3.86Å; R85-F116 HydrophobicContact CG-CE1 4.17Å; R85-F116 HydrophobicContact CG-CE2 3.72Å; R85-F116 HydrophobicContact CG-CZ 3.52Å; Y86-F116 HydrophobicContact CD2-CD1 4.3Å; L89-F116 HydrophobicContact CD1-CB 3.9Å; L89-F116 HydrophobicContact CD1-CD1 4.08Å; L89-F116 HydrophobicContact CD1-CD2 4.1Å; L89-F116 HydrophobicContact CD1-CG 3.75Å; I112-F116 WeakPolarHBondContact O-CB 3.25Å; I112-F116 PolarHBondContact O-N 2.85Å; L113-F116 PolarHBondContact O-N 3.31Å; D114-F116 VanDerWaalsContact C-N 3.3Å; F116-V122 HydrophobicContact CD2-CG1 4.4Å; F116-V122 HydrophobicContact CE2-CG1 3.84Å; F116-V122 HydrophobicContact CE2-CG2 4.44Å; F116-V122 HydrophobicContact CZ-CG2 4.43Å; F116-Q123 PolarHBondContact O-N 2.87Å; F116-E124 WeakPolarHBondContact CD2-O 3.49Å; F116-V130 HydrophobicContact CB-CG1 4.47Å
117L97.8Very high97.3Very high1 Ų151 Ų511%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-123.9128.4-174.9-63.3-175.6000111.2M1 M4 Y19 I82 L113 E121 V122M1-L117 HydrophobicContact CE-CD1 4.2Å; M4-L117 HydrophobicContact SD-CD1 4.45Å; Y19-L117 VanDerWaalsContact OH-CB 3.31Å; Y19-L117 WeakPolarHBondContact OH-CB 3.34Å; I82-L117 HydrophobicContact CG2-CD1 4.05Å; I82-L117 HydrophobicContact CG2-CD2 3.99Å; L113-L117 HydrophobicContact CD1-CB 4.46Å; L113-L117 HydrophobicContact CD1-CD1 3.8Å; L113-L117 HydrophobicContact CD1-CG 4.2Å; L113-L117 PolarHBondContact O-N 3.01Å; L117-E121 CarbonylContact C-O 3.57Å; L117-E121 VanDerWaalsContact CA-O 3.29Å; L117-E121 WeakPolarHBondContact CA-O 3.18Å; L117-V122 HydrophobicContact CD2-CB 4.25Å; L117-V122 HydrophobicContact CD2-CG2 3.68Å
118L96.9Very high97.3Very high109 Ų10955.9 Ų55.957%0.57129%0.29SS*.EExtended strand (participates in β ladder)trans-131.3133.9175.2-171.966.2000110.4G120 E121 Q123L118-G120 PolarHBondContact O-N 3.48Å; L118-G120 VanDerWaalsContact O-N 3.08Å; L118-E121 PolarHBondContact N-O 3.01Å; L118-E121 PolarHBondContact O-N 3.36Å; L118-Q123 HydrophobicContact CB-CB 4.31Å
119G96.7Very high97.4Very high59 Ų5958.1 Ų58.161%0.60830%0.303SS*.THydrogen-bonded Turntrans62.217.6178.200000114.9
120G96.1Very high97.4Very high2 Ų258.1 Ų58.12%0.02130%0.303CS..THydrogen-bonded Turntrans88.66.6-176.500000114.3M1 Y19 L118M1-G120 WeakPolarHBondContact CB-O 3.13Å; M1-G120 PolarHBondContact N-O 2.89Å; M1-G120 WeakPolarHBondContact O-CA 3.37Å; Y19-G120 VanDerWaalsContact CG-CA 3.44Å; Y19-G120 VanDerWaalsContact CG-N 3.33Å; L118-G120 PolarHBondContact O-N 3.48Å; L118-G120 VanDerWaalsContact O-N 3.08Å
121E96.7Very high97.3Very high114 Ų11456.5 Ų56.553%0.53330%0.298SS..EExtended strand (participates in β ladder)trans-123.9159.3-179.8-60.3-53138.200111.4M1 L117 L118 Q123M1-E121 PolarHBondContact N-OE1 3Å; L117-E121 CarbonylContact C-O 3.57Å; L117-E121 VanDerWaalsContact CA-O 3.29Å; L117-E121 WeakPolarHBondContact CA-O 3.18Å; L118-E121 PolarHBondContact N-O 3.01Å; L118-E121 PolarHBondContact O-N 3.36Å; E121-Q123 PolarHBondContact O-N 2.89Å
122V97.6Very high97.3Very high53 Ų5357.4 Ų57.432%0.32130%0.302SS..EExtended strand (participates in β ladder)trans-73.3121.3176.5179.30000109.7I82 F116 L117 T125I82-V122 HydrophobicContact CD1-CG2 3.49Å; I82-V122 VanDerWaalsContact CD1-CG2 3.49Å; I82-V122 HydrophobicContact CG1-CG2 3.69Å; F116-V122 HydrophobicContact CD2-CG1 4.4Å; F116-V122 HydrophobicContact CE2-CG1 3.84Å; F116-V122 HydrophobicContact CE2-CG2 4.44Å; F116-V122 HydrophobicContact CZ-CG2 4.43Å; L117-V122 HydrophobicContact CD2-CB 4.25Å; L117-V122 HydrophobicContact CD2-CG2 3.68Å; V122-T125 HydrophobicContact CG1-CG2 3.97Å
123Q97.5Very high97.3Very high99 Ų9958.5 Ų58.546%0.46331%0.311SS..SBendtrans-86.6-47.6175.9173.7176.4-72.100111.4E115 F116 L118 E121E115-Q123 PolarHBondContact O-NE2 3Å; F116-Q123 PolarHBondContact O-N 2.87Å; L118-Q123 HydrophobicContact CB-CB 4.31Å; E121-Q123 PolarHBondContact O-N 2.89Å
124E97.2Very high97.2Very high49 Ų4958.9 Ų58.923%0.22931%0.313CS..  trans-128.7128.1-175.1176.856.5-91.700110.3F116 S126 N129 V130F116-E124 WeakPolarHBondContact CD2-O 3.49Å; E124-S126 WeakPolarHBondContact OE1-CB 3.48Å; E124-S126 PolarHBondContact OE1-N 2.82Å; E124-N129 HydrophobicContact CG-CB 3.8Å; E124-N129 VanDerWaalsContact OE2-CB 3.24Å; E124-N129 WeakPolarHBondContact OE2-CB 3.38Å; E124-N129 PolarHBondContact OE2-ND2 2.9Å; E124-V130 HydrophobicContact CB-CG2 3.8Å; E124-V130 HydrophobicContact CG-CG2 3.56Å
125T95.8Very high97.1Very high106 Ų10661.9 Ų61.965%0.6533%0.325SS*.  trans-97.6-15.7-176.561.80000112.4R85 V122R85-T125 PolarHBondContact NH1-O 3.01Å; V122-T125 HydrophobicContact CG1-CG2 3.97Å
126S97.1Very high97Very high38 Ų3863.8 Ų63.827%0.26633%0.334SS..  trans-88.5114.7176.9174.70000111.3E124 K128 N129 V130E124-S126 WeakPolarHBondContact OE1-CB 3.48Å; E124-S126 PolarHBondContact OE1-N 2.82Å; S126-K128 PolarHBondContact O-N 3.27Å; S126-K128 PolarHBondContact OG-N 2.89Å; S126-N129 PolarHBondContact O-N 2.78Å; S126-N129 VanDerWaalsContact O-N 3.1Å; S126-N129 PolarHBondContact OG-N 3.47Å; S126-N129 PolarHBondContact OG-OD1 3.12Å; S126-V130 PolarHBondContact O-N 3.34Å
127K96.2Very high96.8Very high76 Ų7666 Ų6633%0.3335%0.353SS..Hα-helixtrans-52.4-40.4172.4-75.2-170.5-73.6-1660112.5E88 L89 N129 L131E88-K127 HydrophobicContact CB-CD 3.96Å; E88-K127 IonicContact OE1-NZ 2.78Å; E88-K127 PolarHBondContact OE1-NZ 3.39Å; E88-K127 WeakPolarHBondContact OE2-CD 3.48Å; E88-K127 WeakPolarHBondContact OE2-CE 3.39Å; E88-K127 IonicContact OE2-NZ 3.46Å; E88-K127 PolarHBondContact OE2-NZ 3.28Å; L89-K127 HydrophobicContact CD2-CB 4.1Å; L89-K127 HydrophobicContact CD2-CG 4.03Å; L89-K127 HydrophobicContact CG-CG 4.48Å; K127-N129 VanDerWaalsContact C-N 3.31Å; K127-N129 PolarHBondContact O-N 2.89Å; K127-L131 WeakPolarHBondContact O-CB 3.44Å; K127-L131 WeakPolarHBondContact O-CD1 3.48Å; K127-L131 VanDerWaalsContact O-CG 3.28Å; K127-L131 WeakPolarHBondContact O-CG 3.46Å; K127-L131 PolarHBondContact O-N 3.09Å; K127-L131 VanDerWaalsContact O-N 3.07Å
128K96.9Very high96.6Very high166 Ų16667.1 Ų67.172%0.72236%0.359SS*.Hα-helixtrans-65-37.5-177.5-175.4179.9177.2-177.40111.6S126 K132S126-K128 PolarHBondContact O-N 3.27Å; S126-K128 PolarHBondContact OG-N 2.89Å; K128-K132 VanDerWaalsContact O-CB 3.25Å; K128-K132 WeakPolarHBondContact O-CB 3.37Å; K128-K132 PolarHBondContact O-N 2.88Å
129N97.9Very high96.4Very high77 Ų7766.6 Ų66.641%0.41236%0.357SS..Hα-helixtrans-72-46.3-179.4-682.5000110.8E124 S126 K127 L131 K132 A133E124-N129 HydrophobicContact CG-CB 3.8Å; E124-N129 VanDerWaalsContact OE2-CB 3.24Å; E124-N129 WeakPolarHBondContact OE2-CB 3.38Å; E124-N129 PolarHBondContact OE2-ND2 2.9Å; S126-N129 PolarHBondContact O-N 2.78Å; S126-N129 VanDerWaalsContact O-N 3.1Å; S126-N129 PolarHBondContact OG-N 3.47Å; S126-N129 PolarHBondContact OG-OD1 3.12Å; K127-N129 VanDerWaalsContact C-N 3.31Å; K127-N129 PolarHBondContact O-N 2.89Å; N129-L131 PolarHBondContact O-N 2.91Å; N129-K132 PolarHBondContact O-N 2.87Å; N129-A133 PolarHBondContact O-N 3.03Å
130V97.8Very high96.2Very high1 Ų169.2 Ų69.21%0.00636%0.356CS..Hα-helixtrans-55.1-52.1175.8177.40000110.7L89 E115 F116 E124 S126 K132 A133 I134L89-V130 HydrophobicContact CD1-CB 4.48Å; L89-V130 HydrophobicContact CD1-CG1 3.99Å; L89-V130 HydrophobicContact CD2-CB 3.87Å; L89-V130 HydrophobicContact CD2-CG1 3.86Å; E115-V130 HydrophobicContact CB-CG1 4.07Å; E115-V130 HydrophobicContact CG-CB 4.43Å; E115-V130 HydrophobicContact CG-CG1 3.92Å; F116-V130 HydrophobicContact CB-CG1 4.47Å; E124-V130 HydrophobicContact CB-CG2 3.8Å; E124-V130 HydrophobicContact CG-CG2 3.56Å; S126-V130 PolarHBondContact O-N 3.34Å; V130-K132 VanDerWaalsContact C-N 3.34Å; V130-K132 PolarHBondContact O-N 3.44Å; V130-A133 PolarHBondContact O-N 3.25Å; V130-I134 WeakPolarHBondContact O-CG1 3.36Å; V130-I134 PolarHBondContact O-N 3.29Å
131L97.1Very high95.9Very high19 Ų1972.7 Ų72.710%0.09937%0.371CS..Hα-helixtrans-63.1-40.7-178.4-68.8164.9000112.3L89 K92 K127 N129 A133 I134 E135L89-L131 HydrophobicContact CD2-CD1 4.4Å; L89-L131 HydrophobicContact CD2-CD2 4.3Å; L89-L131 HydrophobicContact CD2-CG 3.96Å; K92-L131 HydrophobicContact CB-CD1 3.85Å; K92-L131 HydrophobicContact CB-CD2 4.33Å; K92-L131 HydrophobicContact CG-CD1 3.32Å; K92-L131 HydrophobicContact CG-CD2 4.38Å; K92-L131 HydrophobicContact CG-CG 4.49Å; K127-L131 WeakPolarHBondContact O-CB 3.44Å; K127-L131 WeakPolarHBondContact O-CD1 3.48Å; K127-L131 VanDerWaalsContact O-CG 3.28Å; K127-L131 WeakPolarHBondContact O-CG 3.46Å; K127-L131 PolarHBondContact O-N 3.09Å; K127-L131 VanDerWaalsContact O-N 3.07Å; N129-L131 PolarHBondContact O-N 2.91Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 2.78Å; L131-I134 PolarHBondContact O-N 3.39Å; L131-E135 WeakPolarHBondContact O-CB 3.09Å; L131-E135 WeakPolarHBondContact O-CG 3.22Å; L131-E135 PolarHBondContact O-N 2.76Å
132K97.6Very high95.6Very high115 Ų11573.1 Ų73.150%0.537%0.373SS..Hα-helixtrans-62.5-40.6176.3-177.1-178.8177.2-171.10111.8K128 N129 V130 E135 Q136K128-K132 VanDerWaalsContact O-CB 3.25Å; K128-K132 WeakPolarHBondContact O-CB 3.37Å; K128-K132 PolarHBondContact O-N 2.88Å; N129-K132 PolarHBondContact O-N 2.87Å; V130-K132 VanDerWaalsContact C-N 3.34Å; V130-K132 PolarHBondContact O-N 3.44Å; K132-E135 PolarHBondContact O-N 3.25Å; K132-Q136 VanDerWaalsContact O-CG 3.27Å; K132-Q136 WeakPolarHBondContact O-CG 3.21Å; K132-Q136 PolarHBondContact O-N 3.11Å
133A97.1Very high95.1Very high24 Ų2477 Ų7720%0.19839%0.388CS..Hα-helixtrans-65.6-42.6177.900000111.4E115 N129 V130 L131 Q136 A137E115-A133 HydrophobicContact CG-CB 3.86Å; E115-A133 WeakPolarHBondContact OE1-CB 3.22Å; N129-A133 PolarHBondContact O-N 3.03Å; V130-A133 PolarHBondContact O-N 3.25Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A133 PolarHBondContact O-N 2.78Å; A133-Q136 PolarHBondContact O-N 2.77Å; A133-A137 WeakPolarHBondContact O-CB 3.29Å; A133-A137 PolarHBondContact O-N 3.1Å
134I96.8Very high94.5Very high7 Ų776.3 Ų76.34%0.03640%0.4CS..Hα-helixtrans-63.1-45.6174.6-63.1-63.5000111.5Y93 F111 I112 E115 V130 L131 Q136 A137 D138Y93-I134 HydrophobicContact CD2-CG2 3.87Å; Y93-I134 HydrophobicContact CE2-CG2 3.44Å; Y93-I134 VanDerWaalsContact CE2-CG2 3.44Å; F111-I134 HydrophobicContact CB-CD1 4.17Å; F111-I134 WeakPolarHBondContact O-CD1 3.49Å; I112-I134 HydrophobicContact CG1-CD1 4.29Å; I112-I134 HydrophobicContact CG1-CG1 4.11Å; I112-I134 HydrophobicContact CG1-CG2 4.23Å; E115-I134 HydrophobicContact CB-CD1 3.74Å; E115-I134 HydrophobicContact CB-CG1 4.2Å; E115-I134 HydrophobicContact CG-CD1 4.21Å; E115-I134 HydrophobicContact CG-CG1 4.3Å; V130-I134 WeakPolarHBondContact O-CG1 3.36Å; V130-I134 PolarHBondContact O-N 3.29Å; L131-I134 PolarHBondContact O-N 3.39Å; I134-Q136 VanDerWaalsContact C-N 3.29Å; I134-Q136 PolarHBondContact O-N 3.49Å; I134-A137 PolarHBondContact O-N 3.36Å; I134-A137 VanDerWaalsContact O-N 3.14Å; I134-D138 PolarHBondContact O-N 2.9Å
135E95.4Very high93.7Very high118 Ų11880.3 Ų80.355%0.55142%0.418SS*.Hα-helixtrans-58.2-41.5176-76.2171.2-169.300111.7L131 K132 D138 L139L131-E135 WeakPolarHBondContact O-CB 3.09Å; L131-E135 WeakPolarHBondContact O-CG 3.22Å; L131-E135 PolarHBondContact O-N 2.76Å; K132-E135 PolarHBondContact O-N 3.25Å; E135-D138 PolarHBondContact O-N 3.03Å; E135-L139 WeakPolarHBondContact O-CG 3.46Å; E135-L139 PolarHBondContact O-N 2.85Å; E135-L139 VanDerWaalsContact O-N 3.09Å
136Q95.6Very high92.7Very high102 Ų10279.4 Ų79.448%0.47741%0.413SS..Hα-helixtrans-66.4-39.6176-73.3177.6-2700112.3K132 A133 I134 L139 L140K132-Q136 VanDerWaalsContact O-CG 3.27Å; K132-Q136 WeakPolarHBondContact O-CG 3.21Å; K132-Q136 PolarHBondContact O-N 3.11Å; A133-Q136 PolarHBondContact O-N 2.77Å; I134-Q136 VanDerWaalsContact C-N 3.29Å; I134-Q136 PolarHBondContact O-N 3.49Å; Q136-L139 PolarHBondContact O-N 3.44Å; Q136-L140 WeakPolarHBondContact O-CG 3.46Å; Q136-L140 PolarHBondContact O-N 2.76Å; Q136-L140 VanDerWaalsContact O-N 3.16Å
137A94.3Very high91.1Very high50 Ų5083.4 Ų83.441%0.41344%0.438SS..Hα-helixtrans-65.8-39.5176.500000111.9A133 I134 L140 Q141A133-A137 WeakPolarHBondContact O-CB 3.29Å; A133-A137 PolarHBondContact O-N 3.1Å; I134-A137 PolarHBondContact O-N 3.36Å; I134-A137 VanDerWaalsContact O-N 3.14Å; A137-L140 PolarHBondContact O-N 3.37Å; A137-Q141 PolarHBondContact O-N 3.15Å
138D93.4Very high89.5Confident25 Ų2588.7 Ų88.713%0.13446%0.456CS..Hα-helixtrans-63.5-44.8176.4-74-17.7000111.4Y93 K108 I134 E135 L140 Q141 E142Y93-D138 VanDerWaalsContact CE2-OD2 3.3Å; Y93-D138 WeakPolarHBondContact CE2-OD2 3.46Å; Y93-D138 PolarHBondContact OH-OD2 3.26Å; K108-D138 IonicContact NZ-OD1 2.79Å; K108-D138 PolarHBondContact NZ-OD1 2.87Å; I134-D138 PolarHBondContact O-N 2.9Å; E135-D138 PolarHBondContact O-N 3.03Å; D138-L140 PolarHBondContact O-N 2.95Å; D138-Q141 WeakPolarHBondContact O-CB 3.32Å; D138-Q141 PolarHBondContact O-N 2.96Å; D138-Q141 VanDerWaalsContact O-N 3.17Å; D138-E142 WeakPolarHBondContact O-CG 3.06Å; D138-E142 PolarHBondContact O-N 2.85Å
139L94.1Very high87.9Confident99 Ų9983.1 Ų83.152%0.51844%0.438SS..Hα-helixtrans-59.4-44175.8-71.7170.4000112.5E135 Q136 Q141 E142 E143E135-L139 WeakPolarHBondContact O-CG 3.46Å; E135-L139 PolarHBondContact O-N 2.85Å; E135-L139 VanDerWaalsContact O-N 3.09Å; Q136-L139 PolarHBondContact O-N 3.44Å; L139-Q141 VanDerWaalsContact C-N 3.3Å; L139-Q141 PolarHBondContact O-N 2.85Å; L139-E142 PolarHBondContact O-N 2.74Å; L139-E143 WeakPolarHBondContact O-CG 3.39Å; L139-E143 PolarHBondContact O-N 2.87Å
140L92.5Very high86.1Confident113 Ų11384.3 Ų84.359%0.59245%0.448SS*.Hα-helixtrans-65-36177.3-71.6171.2000112.1Q136 A137 D138 A144Q136-L140 WeakPolarHBondContact O-CG 3.46Å; Q136-L140 PolarHBondContact O-N 2.76Å; Q136-L140 VanDerWaalsContact O-N 3.16Å; A137-L140 PolarHBondContact O-N 3.37Å; D138-L140 PolarHBondContact O-N 2.95Å; L140-A144 WeakPolarHBondContact O-CB 3.25Å; L140-A144 PolarHBondContact O-N 3.49Å; L140-A144 VanDerWaalsContact O-N 3.12Å
141Q89.8Confident84.3Confident75 Ų7588.9 Ų88.935%0.3547%0.471SS..Hα-helixtrans-65.5-45.2175.3-170.6-173.2-29.700110.6A137 D138 L139 A144 E145A137-Q141 PolarHBondContact O-N 3.15Å; D138-Q141 WeakPolarHBondContact O-CB 3.32Å; D138-Q141 PolarHBondContact O-N 2.96Å; D138-Q141 VanDerWaalsContact O-N 3.17Å; L139-Q141 VanDerWaalsContact C-N 3.3Å; L139-Q141 PolarHBondContact O-N 2.85Å; Q141-A144 PolarHBondContact O-N 3.34Å; Q141-E145 WeakPolarHBondContact CG-OE1 3.42Å; Q141-E145 PolarHBondContact NE2-OE1 2.88Å; Q141-E145 WeakPolarHBondContact O-CG 3.36Å; Q141-E145 PolarHBondContact O-N 3.08Å; Q141-E145 VanDerWaalsContact O-N 3.07Å
142E89.1Confident82.9Confident123 Ų12393.5 Ų93.558%0.57549%0.492SS*.Hα-helixtrans-60.9-45.2176.5-71.6178.4-179.600112D138 L139 A144 E145 T146D138-E142 WeakPolarHBondContact O-CG 3.06Å; D138-E142 PolarHBondContact O-N 2.85Å; L139-E142 PolarHBondContact O-N 2.74Å; E142-A144 VanDerWaalsContact C-N 3.3Å; E142-A144 PolarHBondContact O-N 2.88Å; E142-E145 PolarHBondContact O-N 2.81Å; E142-E145 VanDerWaalsContact O-N 3.17Å; E142-T146 WeakPolarHBondContact O-CG2 3.39Å; E142-T146 PolarHBondContact O-N 2.91Å
143E87.6Confident81.1Confident134 Ų13494.7 Ų94.763%0.62650%0.5SS*.Hα-helixtrans-59.1-39.9175.9-75.2-179.8179.500112.2L139 E145 T146L139-E143 WeakPolarHBondContact O-CG 3.39Å; L139-E143 PolarHBondContact O-N 2.87Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E143-T146 PolarHBondContact O-N 2.81Å; E143-T146 PolarHBondContact O-OG1 2.9Å
144A84.7Confident80Confident86 Ų8698.3 Ų98.371%0.71152%0.515SS*.Hα-helixtrans-70.2-29.6178.200000113.2L140 Q141 E142L140-A144 WeakPolarHBondContact O-CB 3.25Å; L140-A144 PolarHBondContact O-N 3.49Å; L140-A144 VanDerWaalsContact O-N 3.12Å; Q141-A144 PolarHBondContact O-N 3.34Å; E142-A144 VanDerWaalsContact C-N 3.3Å; E142-A144 PolarHBondContact O-N 2.88Å
145E80.4Confident78.5Confident132 Ų132100.9 Ų100.962%0.61754%0.543SS*.Hα-helixtrans-84.8-17.8178.9-71.3177-166.500112.8Q141 E142 E143 P147Q141-E145 WeakPolarHBondContact CG-OE1 3.42Å; Q141-E145 PolarHBondContact NE2-OE1 2.88Å; Q141-E145 WeakPolarHBondContact O-CG 3.36Å; Q141-E145 PolarHBondContact O-N 3.08Å; Q141-E145 VanDerWaalsContact O-N 3.07Å; E142-E145 PolarHBondContact O-N 2.81Å; E142-E145 VanDerWaalsContact O-N 3.17Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E145-P147 WeakPolarHBondContact O-CD 3.42Å
146T74.9Confident76.9Confident88 Ų88101.2 Ų101.254%0.5455%0.548SS..SBendtrans-65.9122.1171.554.90000110.4E142 E143 R148E142-T146 WeakPolarHBondContact O-CG2 3.39Å; E142-T146 PolarHBondContact O-N 2.91Å; E143-T146 PolarHBondContact O-N 2.81Å; E143-T146 PolarHBondContact O-OG1 2.9Å; T146-R148 PolarHBondContact O-N 3.03Å; T146-R148 VanDerWaalsContact O-N 3.09Å
147P63.5Low75.2Confident121 Ų121104.1 Ų104.179%0.78657%0.573SS**PPolyproline II helixtrans-62.7119.6174.812.4-12.3000108.1E145 S149E145-P147 WeakPolarHBondContact O-CD 3.42Å; P147-S149 PolarHBondContact O-N 2.65Å
148R63.6Low74.2Confident188 Ų188106.9 Ų106.971%0.70958%0.581SS**PPolyproline II helixtrans-49.4132.3167.1-79.8-177.1176.3174.3-1.2107.6T146 V150 E153T146-R148 PolarHBondContact O-N 3.03Å; T146-R148 VanDerWaalsContact O-N 3.09Å; R148-V150 PolarHBondContact O-N 2.9Å; R148-E153 HydrophobicContact CB-CG 4.18Å
149S62.7Low73.2Confident49 Ų49111.2 Ų111.234%0.34361%0.605SS.*PPolyproline II helixtrans-59.3138.3179.274.70000107.5P147 L151 E152 E153P147-S149 PolarHBondContact O-N 2.65Å; S149-L151 PolarHBondContact O-N 2.83Å; S149-E152 PolarHBondContact N-OE2 3.09Å; S149-E152 VanDerWaalsContact N-OE2 3.14Å; S149-E152 WeakPolarHBondContact O-CB 3.45Å; S149-E152 PolarHBondContact O-N 3.13Å; S149-E152 WeakPolarHBondContact OG-CG 3.19Å; S149-E152 PolarHBondContact OG-N 3.35Å; S149-E152 PolarHBondContact OG-OE2 3.18Å; S149-E153 PolarHBondContact O-N 3.49Å
150V60.6Low72.1Confident102 Ų102111.8 Ų111.862%0.61861%0.61SS**Hα-helixtrans-52.1-27177.1178.20000110.9R148 E153 I154R148-V150 PolarHBondContact O-N 2.9Å; V150-E153 PolarHBondContact O-N 3.01Å; V150-I154 HydrophobicContact CG1-CD1 4.45Å; V150-I154 WeakPolarHBondContact O-CD1 3.44Å; V150-I154 WeakPolarHBondContact O-CG1 3.3Å; V150-I154 PolarHBondContact O-N 3.35Å; V150-I154 VanDerWaalsContact O-N 3.12Å
151L60.6Low70.9Confident97 Ų97111.8 Ų111.851%0.50861%0.611SS.*Hα-helixtrans-65.9-36.8175.3-63.1170.3000113.7S149 I154 G155 L156S149-L151 PolarHBondContact O-N 2.83Å; L151-I154 HydrophobicContact CD2-CD1 4.38Å; L151-G155 PolarHBondContact O-N 3.14Å; L151-L156 PolarHBondContact O-N 3.47Å
152E66.1Low69.7Low115 Ų115114.1 Ų114.154%0.53763%0.627SS.*Hα-helixtrans-74-35.9174-73.6166.9148.300111.5S149 I154 G155S149-E152 PolarHBondContact N-OE2 3.09Å; S149-E152 VanDerWaalsContact N-OE2 3.14Å; S149-E152 WeakPolarHBondContact O-CB 3.45Å; S149-E152 PolarHBondContact O-N 3.13Å; S149-E152 WeakPolarHBondContact OG-CG 3.19Å; S149-E152 PolarHBondContact OG-N 3.35Å; S149-E152 PolarHBondContact OG-OE2 3.18Å; E152-I154 VanDerWaalsContact C-N 3.33Å; E152-I154 PolarHBondContact O-N 3.44Å; E152-G155 PolarHBondContact O-N 3.44Å
153E61.3Low68.4Low141 Ų141113.5 Ų113.566%0.65963%0.63SS**Hα-helixtrans-68.1-31.7176.6-71.4-169.4157.400113R148 S149 V150R148-E153 HydrophobicContact CB-CG 4.18Å; S149-E153 PolarHBondContact O-N 3.49Å; V150-E153 PolarHBondContact O-N 3.01Å
154I72.8Confident67Low99 Ų99112 Ų11251%0.50863%0.631SS.*THydrogen-bonded Turntrans-935.9176.466.8-166.4000113.7V150 L151 E152 L156V150-I154 HydrophobicContact CG1-CD1 4.45Å; V150-I154 WeakPolarHBondContact O-CD1 3.44Å; V150-I154 WeakPolarHBondContact O-CG1 3.3Å; V150-I154 PolarHBondContact O-N 3.35Å; V150-I154 VanDerWaalsContact O-N 3.12Å; L151-I154 HydrophobicContact CD2-CD1 4.38Å; E152-I154 VanDerWaalsContact C-N 3.33Å; E152-I154 PolarHBondContact O-N 3.44Å; I154-L156 HydrophobicContact CD1-CD1 3.61Å; I154-L156 HydrophobicContact CD1-CG 4.37Å; I154-L156 HydrophobicContact CG1-CB 4.23Å; I154-L156 HydrophobicContact CG1-CD1 3.75Å; I154-L156 HydrophobicContact CG1-CG 3.95Å; I154-L156 PolarHBondContact O-N 3.06Å
155G64.9Low65.7Low62 Ų62114 Ų11464%0.63962%0.624SS**THydrogen-bonded Turntrans65.632.5172.500000114.8L151 E152L151-G155 PolarHBondContact O-N 3.14Å; E152-G155 PolarHBondContact O-N 3.44Å
156L61.8Low64.4Low125 Ų125112.5 Ų112.565%0.65463%0.625SS**  trans-97.36.5-177.6-76.4175.7000114.5L151 I154L151-L156 PolarHBondContact O-N 3.47Å; I154-L156 HydrophobicContact CD1-CD1 3.61Å; I154-L156 HydrophobicContact CD1-CG 4.37Å; I154-L156 HydrophobicContact CG1-CB 4.23Å; I154-L156 HydrophobicContact CG1-CD1 3.75Å; I154-L156 HydrophobicContact CG1-CG 3.95Å; I154-L156 PolarHBondContact O-N 3.06Å
157T60.5Low63.5Low163 Ų163114.7 Ų114.7100%163%0.633SS**  trans-139.10169.150.70000110.5

Retrieved 157 of 157 residues in 34.3 ms (Link to these results)

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