A0A093HL53_STRCA Loading...

High mobility group protein B3

AlphaFold DB (P40618), UniProt , Accession A0A093HL53, Species STRCA (Struthio camelus australis), Gene n/a, Length 202 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
1M41.1Very low75.9Confident234 Ų234120.8 Ų120.8100%1.15367%0.666SS**  0118.90-56.1-177.3-155.800107.2K3M1-K3 PolarHBondContact O-N 3.36Å
2A50.3Low77.4Confident107 Ų107120.9 Ų120.988%0.88465%0.654SS**  trans-59.3110.7174.600000107.8G4A2-G4 PolarHBondContact O-N 2.86Å
3K64.6Low78.8Confident209 Ų209114.9 Ų114.991%0.90962%0.62SS**  trans-68.489.6170.9-71.1179.9-179.9174.20105.6M1M1-K3 PolarHBondContact O-N 3.36Å
4G71.5Confident80.1Confident52 Ų52111.4 Ų111.454%0.53661%0.609SS.*  trans-57.4162.717200000110.4A2 P6A2-G4 PolarHBondContact O-N 2.86Å; G4-P6 WeakPolarHBondContact O-CD 3.49Å
5D80.1Confident81.2Confident75 Ų75104.6 Ų104.640%0.40157%0.573SS.*  trans-46.8121.8177.2-179.8-2000110.9K7 K8 Y78D5-K7 PolarHBondContact O-N 3.37Å; D5-K7 VanDerWaalsContact O-N 3.13Å; D5-K7 WeakPolarHBondContact OD1-CB 3.42Å; D5-K7 PolarHBondContact OD1-N 3.03Å; D5-K8 HydrophobicContact CB-CB 4.35Å; D5-K8 WeakPolarHBondContact O-CB 3.36Å; D5-K8 PolarHBondContact O-N 2.69Å; D5-Y78 HydrophobicContact CB-CE2 4.47Å; D5-Y78 WeakPolarHBondContact OD2-CE2 3.41Å
6P83.1Confident82Confident132 Ų132102.9 Ų102.986%0.85756%0.557SS**THydrogen-bonded Turntrans-58.7-23.4178.1-23.132.3000113.8G4 K8G4-P6 WeakPolarHBondContact O-CD 3.49Å; P6-K8 VanDerWaalsContact C-N 3.27Å
7K84.3Confident82.8Confident173 Ų17398.7 Ų98.775%0.75254%0.539SS*.THydrogen-bonded Turntrans-81.2-5.6175.5-63.4-165.4178.4800113.2D5 P9 Y78D5-K7 PolarHBondContact O-N 3.37Å; D5-K7 VanDerWaalsContact O-N 3.13Å; D5-K7 WeakPolarHBondContact OD1-CB 3.42Å; D5-K7 PolarHBondContact OD1-N 3.03Å; K7-P9 WeakPolarHBondContact O-CD 3.34Å; K7-Y78 WeakPolarHBondContact O-CD2 3.4Å
8K87.2Confident83.6Confident107 Ų10794.9 Ų94.947%0.46552%0.516SS..SBendtrans-66.5123.4177.4-171.5163.2-175175.60110.9D5 P6 K10 Y78D5-K8 HydrophobicContact CB-CB 4.35Å; D5-K8 WeakPolarHBondContact O-CB 3.36Å; D5-K8 PolarHBondContact O-N 2.69Å; P6-K8 VanDerWaalsContact C-N 3.27Å; K8-K10 PolarHBondContact O-N 3.35Å; K8-Y78 HydrophobicContact CB-CD2 4.37Å; K8-Y78 HydrophobicContact CB-CE1 3.99Å; K8-Y78 HydrophobicContact CB-CE2 3.64Å; K8-Y78 WeakPolarHBondContact CB-OH 3.34Å; K8-Y78 HydrophobicContact CD-CE1 3.75Å; K8-Y78 WeakPolarHBondContact CD-OH 3.3Å; K8-Y78 HydrophobicContact CG-CD1 4.13Å; K8-Y78 HydrophobicContact CG-CE1 3.46Å; K8-Y78 VanDerWaalsContact CG-CE1 3.46Å; K8-Y78 HydrophobicContact CG-CE2 4.07Å; K8-Y78 VanDerWaalsContact CG-CZ 3.42Å
9P89.7Confident84.2Confident16 Ų1689.9 Ų89.910%0.10449%0.489CS..PPolyproline II helixtrans-47.5132.7167.2-32.439.6000111.1K7 G11 Y71 E74 M75 Y78K7-P9 WeakPolarHBondContact O-CD 3.34Å; P9-G11 PolarHBondContact O-N 3.13Å; P9-Y71 HydrophobicContact CB-CD2 4.24Å; P9-Y71 HydrophobicContact CB-CE2 4.14Å; P9-E74 HydrophobicContact CB-CB 3.72Å; P9-E74 WeakPolarHBondContact CB-OE2 3.32Å; P9-E74 HydrophobicContact CG-CB 3.61Å; P9-E74 WeakPolarHBondContact CG-O 3.4Å; P9-M75 HydrophobicContact CB-SD 4.35Å; P9-M75 HydrophobicContact CG-SD 4.25Å; P9-Y78 HydrophobicContact CG-CD1 4.48Å; P9-Y78 HydrophobicContact CG-CD2 4.49Å; P9-Y78 HydrophobicContact CG-CG 3.94Å
10K90.7Very high84.7Confident176 Ų17687.5 Ų87.577%0.76548%0.477SS*.PPolyproline II helixtrans-62.6134.9172.6-72-176.4179.31760108.9K8 R70 Y71K8-K10 PolarHBondContact O-N 3.35Å; K10-R70 PolarHBondContact O-NH2 3.24Å; K10-R70 VanDerWaalsContact O-NH2 3.14Å; K10-Y71 WeakPolarHBondContact O-CD2 3.42Å
11G92.3Very high85.2Confident48 Ų4887.2 Ų87.250%0.49547%0.473SS..PPolyproline II helixtrans-52.6153.9-177.700000113.1P9P9-G11 PolarHBondContact O-N 3.13Å
12K94.5Very high87.7Confident122 Ų12277.8 Ų77.853%0.5343%0.428SS..PPolyproline II helixtrans-60.6140.8178.264.9-174.1176.7-174.30112.4D67 K68 Y71K12-D67 WeakPolarHBondContact CA-OD2 3.42Å; K12-K68 HydrophobicContact CD-CB 4.49Å; K12-K68 HydrophobicContact CD-CG 4.26Å; K12-Y71 HydrophobicContact CB-CD1 4.13Å; K12-Y71 HydrophobicContact CB-CG 3.98Å; K12-Y71 HydrophobicContact CD-CD1 4.45Å; K12-Y71 HydrophobicContact CG-CD1 4.46Å
13M95.7Very high89.6Confident43 Ų4373.1 Ų73.121%0.21239%0.389CS..PPolyproline II helixtrans-89.8136.4178.3-75-166.86300111.5A17 F18 Q21 D67M13-A17 HydrophobicContact CB-CB 4.45Å; M13-A17 HydrophobicContact CE-CB 3.66Å; M13-F18 HydrophobicContact CB-CD2 3.91Å; M13-F18 HydrophobicContact CB-CE1 4.4Å; M13-F18 HydrophobicContact CB-CE2 3.39Å; M13-F18 HydrophobicContact CB-CZ 3.67Å; M13-F18 HydrophobicContact CE-CD1 3.96Å; M13-F18 HydrophobicContact CE-CE1 4.12Å; M13-F18 HydrophobicContact CE-CG 4.15Å; M13-F18 HydrophobicContact CE-CZ 4.46Å; M13-F18 HydrophobicContact CG-CZ 4.37Å; M13-F18 HydrophobicContact SD-CD1 4.4Å; M13-F18 HydrophobicContact SD-CE1 3.95Å; M13-F18 HydrophobicContact SD-CZ 4.06Å; M13-Q21 HydrophobicContact CE-CG 3.94Å; M13-Q21 VanDerWaalsContact CE-OE1 3.22Å; M13-Q21 PolarHBondContact SD-NE2 2.97Å; M13-D67 HydrophobicContact CB-CB 4.42Å; M13-D67 PolarHBondContact N-OD2 3.22Å
14S96.4Very high90.8Very high66 Ų6669.2 Ų69.246%0.46237%0.369SS..PPolyproline II helixtrans-82.4165.117267.50000111.5Y16 A17 F18S14-Y16 VanDerWaalsContact C-N 3.29Å; S14-Y16 PolarHBondContact O-N 3.45Å; S14-A17 WeakPolarHBondContact O-CB 3.4Å; S14-A17 PolarHBondContact O-N 2.98Å; S14-A17 PolarHBondContact OG-N 3.42Å; S14-F18 WeakPolarHBondContact O-CD2 3.4Å; S14-F18 PolarHBondContact O-N 3.24Å
15A96.4Very high91.8Very high9 Ų972.6 Ų72.67%0.07437%0.371CS..Hα-helixtrans-56.4-45.3176.600000111.7A17 F18 F19 W49 F60 D61 A64A15-A17 VanDerWaalsContact C-N 3.31Å; A15-A17 PolarHBondContact O-N 2.78Å; A15-F18 PolarHBondContact O-N 3.41Å; A15-F19 PolarHBondContact O-N 2.96Å; A15-W49 HydrophobicContact CB-CH2 3.89Å; A15-W49 HydrophobicContact CB-CZ2 4.19Å; A15-F60 WeakPolarHBondContact CA-O 3.37Å; A15-F60 HydrophobicContact CB-CB 3.82Å; A15-F60 WeakPolarHBondContact CB-O 3.47Å; A15-F60 WeakPolarHBondContact O-CB 3.44Å; A15-D61 WeakPolarHBondContact CB-OD1 3.17Å; A15-A64 HydrophobicContact CB-CB 4.24Å
16Y94.7Very high92.3Very high78 Ų7873 Ų7331%0.30637%0.37SS..Hα-helixtrans-60.2-39.2174.3-179.6-112.7000112.5S14 F19 V20 W49S14-Y16 VanDerWaalsContact C-N 3.29Å; S14-Y16 PolarHBondContact O-N 3.45Å; Y16-F19 HydrophobicContact CD2-CD1 4.16Å; Y16-F19 HydrophobicContact CE2-CD1 4.2Å; Y16-F19 WeakPolarHBondContact O-CB 3.48Å; Y16-F19 PolarHBondContact O-N 3.38Å; Y16-V20 HydrophobicContact CD1-CG2 4.12Å; Y16-V20 HydrophobicContact CD2-CG2 4.21Å; Y16-V20 HydrophobicContact CE1-CG2 3.67Å; Y16-V20 HydrophobicContact CE2-CG2 3.78Å; Y16-V20 HydrophobicContact CG-CG2 4.38Å; Y16-V20 VanDerWaalsContact CZ-CG2 3.49Å; Y16-V20 VanDerWaalsContact O-CG2 3.29Å; Y16-V20 WeakPolarHBondContact O-CG2 3.46Å; Y16-V20 PolarHBondContact O-N 3.07Å; Y16-W49 HydrophobicContact CD2-CB 3.9Å; Y16-W49 AromaticContact CD2-CD1 3.76Å; Y16-W49 AromaticContact CD2-CD2 3.75Å; Y16-W49 HydrophobicContact CD2-CD2 3.75Å; Y16-W49 HydrophobicContact CD2-CE3 4.36Å; Y16-W49 AromaticContact CD2-CG 3.52Å; Y16-W49 HydrophobicContact CD2-CG 3.52Å; Y16-W49 HydrophobicContact CE2-CB 3.79Å; Y16-W49 AromaticContact CE2-CG 3.93Å; Y16-W49 HydrophobicContact CE2-CG 3.93Å
17A95.6Very high92.5Very high31 Ų3169 Ų6926%0.25634%0.34SS..Hα-helixtrans-65.1-40.5178.500000112.1M13 S14 A15 V20 Q21M13-A17 HydrophobicContact CB-CB 4.45Å; M13-A17 HydrophobicContact CE-CB 3.66Å; S14-A17 WeakPolarHBondContact O-CB 3.4Å; S14-A17 PolarHBondContact O-N 2.98Å; S14-A17 PolarHBondContact OG-N 3.42Å; A15-A17 VanDerWaalsContact C-N 3.31Å; A15-A17 PolarHBondContact O-N 2.78Å; A17-V20 PolarHBondContact O-N 3.27Å; A17-Q21 WeakPolarHBondContact O-CG 3.22Å; A17-Q21 PolarHBondContact O-N 2.83Å
18F96.6Very high92.7Very high30 Ų3066.1 Ų66.113%0.13233%0.327CS..Hα-helixtrans-63.3-42171.3-80.1-66000112M13 S14 A15 V20 Q21 T22 F60 M63 D67M13-F18 HydrophobicContact CB-CD2 3.91Å; M13-F18 HydrophobicContact CB-CE1 4.4Å; M13-F18 HydrophobicContact CB-CE2 3.39Å; M13-F18 HydrophobicContact CB-CZ 3.67Å; M13-F18 HydrophobicContact CE-CD1 3.96Å; M13-F18 HydrophobicContact CE-CE1 4.12Å; M13-F18 HydrophobicContact CE-CG 4.15Å; M13-F18 HydrophobicContact CE-CZ 4.46Å; M13-F18 HydrophobicContact CG-CZ 4.37Å; M13-F18 HydrophobicContact SD-CD1 4.4Å; M13-F18 HydrophobicContact SD-CE1 3.95Å; M13-F18 HydrophobicContact SD-CZ 4.06Å; S14-F18 WeakPolarHBondContact O-CD2 3.4Å; S14-F18 PolarHBondContact O-N 3.24Å; A15-F18 PolarHBondContact O-N 3.41Å; F18-V20 PolarHBondContact O-N 3.12Å; F18-Q21 WeakPolarHBondContact O-CB 3.45Å; F18-Q21 PolarHBondContact O-N 3.36Å; F18-Q21 VanDerWaalsContact O-N 3.17Å; F18-T22 PolarHBondContact O-N 3.41Å; F18-F60 HydrophobicContact CB-CD1 3.88Å; F18-M63 HydrophobicContact CB-CB 4.37Å; F18-M63 HydrophobicContact CB-SD 4.19Å; F18-M63 HydrophobicContact CD1-CB 4.25Å; F18-M63 HydrophobicContact CD1-SD 4.28Å; F18-M63 HydrophobicContact CD2-CB 3.62Å; F18-M63 HydrophobicContact CE1-CB 4.49Å; F18-M63 HydrophobicContact CE2-CB 3.89Å; F18-M63 WeakPolarHBondContact CE2-O 3.21Å; F18-M63 HydrophobicContact CG-CB 3.83Å; F18-M63 HydrophobicContact CG-SD 4.26Å; F18-M63 HydrophobicContact CZ-CB 4.32Å; F18-D67 HydrophobicContact CE2-CB 3.63Å; F18-D67 HydrophobicContact CZ-CB 3.63Å
19F95.8Very high92.9Very high1 Ų169.9 Ų69.90%0.00434%0.344CS..Hα-helixtrans-60.7-45.6176169.7-98000112.7A15 Y16 Q21 T22 C23 C45 R48 W49 M52 F60A15-F19 PolarHBondContact O-N 2.96Å; Y16-F19 HydrophobicContact CD2-CD1 4.16Å; Y16-F19 HydrophobicContact CE2-CD1 4.2Å; Y16-F19 WeakPolarHBondContact O-CB 3.48Å; Y16-F19 PolarHBondContact O-N 3.38Å; F19-Q21 VanDerWaalsContact C-N 3.26Å; F19-Q21 PolarHBondContact O-N 3.31Å; F19-T22 PolarHBondContact O-N 3.41Å; F19-T22 VanDerWaalsContact O-N 3.14Å; F19-T22 PolarHBondContact O-OG1 3.39Å; F19-C23 WeakPolarHBondContact CZ-SG 3.37Å; F19-C23 PolarHBondContact O-N 2.92Å; F19-C45 HydrophobicContact CE1-CB 4.14Å; F19-C45 VanDerWaalsContact CE1-O 3.25Å; F19-C45 WeakPolarHBondContact CE1-O 3.43Å; F19-R48 HydrophobicContact CE2-CG 4.17Å; F19-R48 HydrophobicContact CZ-CB 3.81Å; F19-R48 HydrophobicContact CZ-CG 3.61Å; F19-W49 HydrophobicContact CB-CE3 3.54Å; F19-W49 HydrophobicContact CB-CH2 4.42Å; F19-W49 HydrophobicContact CB-CZ3 3.42Å; F19-W49 VanDerWaalsContact CB-CZ3 3.42Å; F19-W49 HydrophobicContact CD1-CB 4.07Å; F19-W49 HydrophobicContact CD1-CD2 4.24Å; F19-W49 AromaticContact CD1-CE3 3.57Å; F19-W49 HydrophobicContact CD1-CE3 3.57Å; F19-W49 HydrophobicContact CD1-CG 4.49Å; F19-W49 HydrophobicContact CD1-CZ3 4.35Å; F19-W49 AromaticContact CD2-CE3 3.77Å; F19-W49 HydrophobicContact CD2-CE3 3.77Å; F19-W49 HydrophobicContact CD2-CZ3 4.06Å; F19-W49 HydrophobicContact CE1-CB 3.85Å; F19-W49 HydrophobicContact CE1-CE3 4.22Å; F19-W49 HydrophobicContact CE2-CE3 4.37Å; F19-W49 HydrophobicContact CG-CD2 4.37Å; F19-W49 AromaticContact CG-CE3 3.31Å; F19-W49 HydrophobicContact CG-CE3 3.31Å; F19-W49 AromaticContact CG-CZ3 3.68Å; F19-W49 HydrophobicContact CG-CZ3 3.68Å; F19-W49 HydrophobicContact CZ-CB 4.46Å; F19-M52 HydrophobicContact CD2-CE 4.22Å; F19-M52 HydrophobicContact CE2-CE 3.95Å; F19-M52 HydrophobicContact CE2-CG 4.4Å; F19-M52 HydrophobicContact CE2-SD 4.39Å; F19-F60 VanDerWaalsContact CA-CE1 3.43Å; F19-F60 HydrophobicContact CB-CD1 3.89Å; F19-F60 HydrophobicContact CB-CD2 4.23Å; F19-F60 HydrophobicContact CB-CE1 3.88Å; F19-F60 HydrophobicContact CB-CE2 4.23Å; F19-F60 HydrophobicContact CB-CG 4.06Å; F19-F60 HydrophobicContact CB-CZ 4.05Å; F19-F60 HydrophobicContact CD2-CD2 4.35Å; F19-F60 HydrophobicContact CD2-CE1 4.29Å; F19-F60 AromaticContact CD2-CE2 3.67Å; F19-F60 HydrophobicContact CD2-CE2 3.67Å; F19-F60 AromaticContact CD2-CZ 3.63Å; F19-F60 HydrophobicContact CD2-CZ 3.63Å; F19-F60 HydrophobicContact CG-CE2 4.42Å; F19-F60 HydrophobicContact CG-CZ 4.34Å
20V94.2Very high92.8Very high40 Ų4076.9 Ų76.924%0.24237%0.372CS..Hα-helixtrans-60.5-37.7175.4173.10000111.1Y16 A17 F18 C23 R24 F41 C45Y16-V20 HydrophobicContact CD1-CG2 4.12Å; Y16-V20 HydrophobicContact CD2-CG2 4.21Å; Y16-V20 HydrophobicContact CE1-CG2 3.67Å; Y16-V20 HydrophobicContact CE2-CG2 3.78Å; Y16-V20 HydrophobicContact CG-CG2 4.38Å; Y16-V20 VanDerWaalsContact CZ-CG2 3.49Å; Y16-V20 VanDerWaalsContact O-CG2 3.29Å; Y16-V20 WeakPolarHBondContact O-CG2 3.46Å; Y16-V20 PolarHBondContact O-N 3.07Å; A17-V20 PolarHBondContact O-N 3.27Å; F18-V20 PolarHBondContact O-N 3.12Å; V20-C23 PolarHBondContact O-N 3.33Å; V20-R24 WeakPolarHBondContact O-CB 3.4Å; V20-R24 PolarHBondContact O-N 3.37Å; V20-F41 HydrophobicContact CG1-CE1 3.86Å; V20-F41 HydrophobicContact CG1-CZ 4.48Å; V20-C45 HydrophobicContact CG2-CB 4.06Å
21Q93.7Very high92.6Very high83 Ų8372 Ų7239%0.38835%0.354SS..Hα-helixtrans-60.9-48.9172.7-75.5179.8-1800111.7M13 A17 F18 F19 C23 R24 E25M13-Q21 HydrophobicContact CE-CG 3.94Å; M13-Q21 VanDerWaalsContact CE-OE1 3.22Å; M13-Q21 PolarHBondContact SD-NE2 2.97Å; A17-Q21 WeakPolarHBondContact O-CG 3.22Å; A17-Q21 PolarHBondContact O-N 2.83Å; F18-Q21 WeakPolarHBondContact O-CB 3.45Å; F18-Q21 PolarHBondContact O-N 3.36Å; F18-Q21 VanDerWaalsContact O-N 3.17Å; F19-Q21 VanDerWaalsContact C-N 3.26Å; F19-Q21 PolarHBondContact O-N 3.31Å; Q21-C23 VanDerWaalsContact C-N 3.33Å; Q21-C23 PolarHBondContact O-N 3.02Å; Q21-R24 WeakPolarHBondContact O-CA 3.43Å; Q21-R24 WeakPolarHBondContact O-CB 3.43Å; Q21-R24 PolarHBondContact O-N 3.05Å; Q21-E25 WeakPolarHBondContact O-CG 3.38Å; Q21-E25 PolarHBondContact O-N 2.87Å
22T93.4Very high92.2Very high35 Ų3574.2 Ų74.222%0.21536%0.361CS..Hα-helixtrans-60.4-41.5178.161.50000112.4F18 F19 R24 E25 E26 F60F18-T22 PolarHBondContact O-N 3.41Å; F19-T22 PolarHBondContact O-N 3.41Å; F19-T22 VanDerWaalsContact O-N 3.14Å; F19-T22 PolarHBondContact O-OG1 3.39Å; T22-R24 PolarHBondContact O-N 2.68Å; T22-E25 PolarHBondContact O-N 3.36Å; T22-E26 WeakPolarHBondContact O-CG 3.27Å; T22-E26 PolarHBondContact O-N 3.13Å; T22-F60 HydrophobicContact CG2-CE1 3.73Å; T22-F60 HydrophobicContact CG2-CZ 4.33Å
23C91.9Very high91.8Very high10 Ų1076.7 Ų76.77%0.06837%0.374CS..Hα-helixtrans-62-35.3174.6-73.70000111.9F19 V20 Q21 H27 F41 C45F19-C23 WeakPolarHBondContact CZ-SG 3.37Å; F19-C23 PolarHBondContact O-N 2.92Å; V20-C23 PolarHBondContact O-N 3.33Å; Q21-C23 VanDerWaalsContact C-N 3.33Å; Q21-C23 PolarHBondContact O-N 3.02Å; C23-H27 PolarHBondContact O-N 2.91Å; C23-F41 HydrophobicContact CB-CE2 3.96Å; C23-F41 HydrophobicContact CB-CZ 3.78Å; C23-C45 WeakPolarHBondContact CB-SG 3.25Å
24R89.2Confident91.3Very high126 Ų12678.5 Ų78.548%0.47539%0.387SS..Hα-helixtrans-72.8-40-179.7-168.4178.4-177.2-175.30.8110.9V20 Q21 T22 H27 K28 F41V20-R24 WeakPolarHBondContact O-CB 3.4Å; V20-R24 PolarHBondContact O-N 3.37Å; Q21-R24 WeakPolarHBondContact O-CA 3.43Å; Q21-R24 WeakPolarHBondContact O-CB 3.43Å; Q21-R24 PolarHBondContact O-N 3.05Å; T22-R24 PolarHBondContact O-N 2.68Å; R24-H27 PolarHBondContact O-N 3.43Å; R24-K28 WeakPolarHBondContact O-CB 3.48Å; R24-K28 WeakPolarHBondContact O-CG 3.48Å; R24-K28 PolarHBondContact O-N 3.37Å; R24-F41 VanDerWaalsContact CA-CZ 3.45Å; R24-F41 HydrophobicContact CB-CE1 4.08Å; R24-F41 HydrophobicContact CB-CE2 4.34Å; R24-F41 HydrophobicContact CB-CZ 3.58Å; R24-F41 HydrophobicContact CG-CE1 4.47Å; R24-F41 HydrophobicContact CG-CZ 4.25Å; R24-F41 VanDerWaalsContact N-CZ 3.33Å
25E92.6Very high90.6Very high124 Ų12480.7 Ų80.758%0.57940%0.4SS*.Hα-helixtrans-64.7-44.9174.9-71.1174.8171.900111.5Q21 T22 H27 K28 K29Q21-E25 WeakPolarHBondContact O-CG 3.38Å; Q21-E25 PolarHBondContact O-N 2.87Å; T22-E25 PolarHBondContact O-N 3.36Å; E25-H27 VanDerWaalsContact C-N 3.32Å; E25-H27 PolarHBondContact O-N 3.46Å; E25-K28 PolarHBondContact O-N 3.12Å; E25-K29 WeakPolarHBondContact O-CB 3.32Å; E25-K29 PolarHBondContact O-N 2.95Å
26E90.4Very high89.9Confident82 Ų8282 Ų8238%0.38341%0.407SS..Hα-helixtrans-57.9-43.6173.5-75.6-177.6161.800111.8T22 K29 K30 R48T22-E26 WeakPolarHBondContact O-CG 3.27Å; T22-E26 PolarHBondContact O-N 3.13Å; E26-K29 PolarHBondContact O-N 3.14Å; E26-K30 WeakPolarHBondContact O-CG 3.48Å; E26-K30 PolarHBondContact O-N 2.82Å; E26-K30 VanDerWaalsContact O-N 3.1Å; E26-R48 IonicContact OE1-NH2 2.77Å; E26-R48 IonicContact OE2-CZ 3Å; E26-R48 IonicContact OE2-NH1 3.84Å; E26-R48 PolarHBondContact OE2-NH1 3.32Å; E26-R48 IonicContact OE2-NH2 2.73Å
27H88.2Confident89.5Confident50 Ų5083.2 Ų83.223%0.23142%0.419CS..Hα-helixtrans-65.2-46.3177.1-172.4-43.1000111.5C23 R24 E25 K29 K30 N31 V36C23-H27 PolarHBondContact O-N 2.91Å; R24-H27 PolarHBondContact O-N 3.43Å; E25-H27 VanDerWaalsContact C-N 3.32Å; E25-H27 PolarHBondContact O-N 3.46Å; H27-K29 VanDerWaalsContact C-N 3.3Å; H27-K29 PolarHBondContact O-N 2.94Å; H27-K30 PolarHBondContact O-N 3.27Å; H27-N31 WeakPolarHBondContact O-CA 2.77Å; H27-N31 PolarHBondContact O-N 3.43Å; H27-V36 HydrophobicContact CB-CG1 4.12Å; H27-V36 VanDerWaalsContact CD2-CG1 3.44Å; H27-V36 WeakPolarHBondContact CD2-CG1 3.31Å
28K87.5Confident89Confident111 Ų11189.4 Ų89.448%0.48344%0.44SS..Hα-helixtrans-63.9-35.7178.7-76.5-178.7174.6-168.40112.2R24 E25 N31 P32R24-K28 WeakPolarHBondContact O-CB 3.48Å; R24-K28 WeakPolarHBondContact O-CG 3.48Å; R24-K28 PolarHBondContact O-N 3.37Å; E25-K28 PolarHBondContact O-N 3.12Å; K28-N31 CarbonylContact O-C 3.49Å; K28-P32 WeakPolarHBondContact O-CA 3.36Å; K28-P32 WeakPolarHBondContact O-CB 3.37Å; K28-P32 VanDerWaalsContact O-N 3.11Å
29K91.3Very high88.7Confident187 Ų18790.4 Ų90.481%0.81345%0.454SS*.Hα-helixtrans-66.6-39.9176.3-176.1173.7-179.2175.30112E25 E26 H27E25-K29 WeakPolarHBondContact O-CB 3.32Å; E25-K29 PolarHBondContact O-N 2.95Å; E26-K29 PolarHBondContact O-N 3.14Å; H27-K29 VanDerWaalsContact C-N 3.3Å; H27-K29 PolarHBondContact O-N 2.94Å
30K88.9Confident88.4Confident162 Ų16295.2 Ų95.270%0.70448%0.476SS*.Hα-helixtrans-82.9-31.8-178.8-69.6-180179.3-178.70113.2E26 H27E26-K30 WeakPolarHBondContact O-CG 3.48Å; E26-K30 PolarHBondContact O-N 2.82Å; E26-K30 VanDerWaalsContact O-N 3.1Å; H27-K30 PolarHBondContact O-N 3.27Å
31N85.3Confident88.2Confident73 Ų7394.3 Ų94.339%0.3947%0.469SS..  trans-137.173.5-177.7-48.6-84000109H27 K28 E33 V34H27-N31 WeakPolarHBondContact O-CA 2.77Å; H27-N31 PolarHBondContact O-N 3.43Å; K28-N31 CarbonylContact O-C 3.49Å; N31-E33 VanDerWaalsContact C-N 3.34Å; N31-E33 PolarHBondContact O-N 2.94Å; N31-V34 HydrophobicContact CB-CB 3.93Å; N31-V34 HydrophobicContact CB-CG2 4.08Å; N31-V34 PolarHBondContact O-N 3.18Å
32P83.2Confident87.9Confident96 Ų9692.6 Ų92.662%0.62347%0.466SS*.SBendtrans-64.7-36.7-177.423.4-32.5000112.8K28K28-P32 WeakPolarHBondContact O-CA 3.36Å; K28-P32 WeakPolarHBondContact O-CB 3.37Å; K28-P32 VanDerWaalsContact O-N 3.11Å
33E88.1Confident87.9Confident173 Ų17396.2 Ų96.281%0.80848%0.479SS*.SBendtrans-80.5-19.6-178.5-61-58.1125.100113.6N31 P35N31-E33 VanDerWaalsContact C-N 3.34Å; N31-E33 PolarHBondContact O-N 2.94Å; E33-P35 VanDerWaalsContact O-CD 3.32Å; E33-P35 WeakPolarHBondContact O-CD 3.21Å
34V83.7Confident87.8Confident81 Ų81102.9 Ų102.949%0.49151%0.507SS..SBendtrans-91.2113.7-175.4-175.70000109.4N31 V36N31-V34 HydrophobicContact CB-CB 3.93Å; N31-V34 HydrophobicContact CB-CG2 4.08Å; N31-V34 PolarHBondContact O-N 3.18Å; V34-V36 PolarHBondContact O-N 2.91Å
35P82.8Confident88Confident113 Ų11397 Ų9773%0.73449%0.485SS*.  trans-63.2133176.526.1-33.1000110.2E33 N37E33-P35 VanDerWaalsContact O-CD 3.32Å; E33-P35 WeakPolarHBondContact O-CD 3.21Å; P35-N37 PolarHBondContact O-N 2.96Å
36V80.9Confident88Confident37 Ų3792.8 Ų92.822%0.22447%0.469CS..  trans-65115174.6-88.60000110.4H27 V34 F38 F41H27-V36 HydrophobicContact CB-CG1 4.12Å; H27-V36 VanDerWaalsContact CD2-CG1 3.44Å; H27-V36 WeakPolarHBondContact CD2-CG1 3.31Å; V34-V36 PolarHBondContact O-N 2.91Å; V36-F38 PolarHBondContact O-N 2.84Å; V36-F41 HydrophobicContact CG1-CD2 4.19Å; V36-F41 HydrophobicContact CG1-CG 4.47Å
37N86.9Confident88.2Confident102 Ų10294.7 Ų94.755%0.54548%0.478SS..  trans-68.7110.4167.1-1794.2000109.2P35 A39 E40 F41P35-N37 PolarHBondContact O-N 2.96Å; N37-A39 VanDerWaalsContact C-N 3.3Å; N37-A39 PolarHBondContact O-N 3.47Å; N37-A39 PolarHBondContact OD1-N 3.04Å; N37-E40 HydrophobicContact CB-CB 4.49Å; N37-E40 WeakPolarHBondContact ND2-CG 3.41Å; N37-E40 PolarHBondContact O-N 3.29Å; N37-F41 WeakPolarHBondContact O-CB 3.33Å; N37-F41 PolarHBondContact O-N 3.03Å
38F85.6Confident88.4Confident162 Ų16297.1 Ų97.171%0.71149%0.485SS*.Hα-helixtrans-57.6-38.9-172.8179.7-102.5000113.4V36 S42V36-F38 PolarHBondContact O-N 2.84Å; F38-S42 WeakPolarHBondContact O-CB 3.48Å; F38-S42 PolarHBondContact O-N 3.45Å
39A89.6Confident88.8Confident50 Ų5094.1 Ų94.141%0.41347%0.471SS..Hα-helixtrans-64.4-51-178.100000111.8N37 S42 K43N37-A39 VanDerWaalsContact C-N 3.3Å; N37-A39 PolarHBondContact O-N 3.47Å; N37-A39 PolarHBondContact OD1-N 3.04Å; A39-S42 PolarHBondContact O-N 3.25Å; A39-K43 WeakPolarHBondContact O-CG 3.33Å; A39-K43 PolarHBondContact O-N 2.88Å; A39-K43 VanDerWaalsContact O-N 3.15Å
40E88.8Confident88.9Confident102 Ų10292.9 Ų92.948%0.47747%0.466SS..Hα-helixtrans-71.1-38-179.4-64.9-56.4112.900111.6N37 S42 K43 K44N37-E40 HydrophobicContact CB-CB 4.49Å; N37-E40 WeakPolarHBondContact ND2-CG 3.41Å; N37-E40 PolarHBondContact O-N 3.29Å; E40-S42 PolarHBondContact O-N 3.17Å; E40-K43 PolarHBondContact O-N 2.98Å; E40-K43 IonicContact OE1-NZ 3.99Å; E40-K43 PolarHBondContact OE1-NZ 3.09Å; E40-K44 WeakPolarHBondContact O-CB 3.47Å; E40-K44 PolarHBondContact O-N 3.31Å
41F89.7Confident89.2Confident22 Ų2290.9 Ų90.910%0.09647%0.467CS..Hα-helixtrans-63.3-42.3175.1179-101.4000112.1V20 C23 R24 V36 N37 K44 C45V20-F41 HydrophobicContact CG1-CE1 3.86Å; V20-F41 HydrophobicContact CG1-CZ 4.48Å; C23-F41 HydrophobicContact CB-CE2 3.96Å; C23-F41 HydrophobicContact CB-CZ 3.78Å; R24-F41 VanDerWaalsContact CA-CZ 3.45Å; R24-F41 HydrophobicContact CB-CE1 4.08Å; R24-F41 HydrophobicContact CB-CE2 4.34Å; R24-F41 HydrophobicContact CB-CZ 3.58Å; R24-F41 HydrophobicContact CG-CE1 4.47Å; R24-F41 HydrophobicContact CG-CZ 4.25Å; R24-F41 VanDerWaalsContact N-CZ 3.33Å; V36-F41 HydrophobicContact CG1-CD2 4.19Å; V36-F41 HydrophobicContact CG1-CG 4.47Å; N37-F41 WeakPolarHBondContact O-CB 3.33Å; N37-F41 PolarHBondContact O-N 3.03Å; F41-K44 PolarHBondContact O-N 3.34Å; F41-C45 VanDerWaalsContact CE1-SG 3.55Å; F41-C45 WeakPolarHBondContact CZ-SG 2.92Å; F41-C45 WeakPolarHBondContact O-CB 3.37Å; F41-C45 PolarHBondContact O-N 3Å; F41-C45 PolarHBondContact O-SG 3.3Å
42S88.3Confident89.6Confident47 Ų4788.4 Ų88.433%0.32945%0.453SS..Hα-helixtrans-62.7-46.6177.3-175.60000111.5F38 A39 E40 C45 S46F38-S42 WeakPolarHBondContact O-CB 3.48Å; F38-S42 PolarHBondContact O-N 3.45Å; A39-S42 PolarHBondContact O-N 3.25Å; E40-S42 PolarHBondContact O-N 3.17Å; S42-C45 PolarHBondContact O-N 3.4Å; S42-S46 WeakPolarHBondContact O-CB 3.45Å; S42-S46 PolarHBondContact O-N 2.93Å
43K92.4Very high90.1Very high111 Ų11186.3 Ų86.348%0.48344%0.441SS..Hα-helixtrans-58.1-51.3174.8-70.4175.8-169.5162.70111.3A39 E40 C45 S46 E47A39-K43 WeakPolarHBondContact O-CG 3.33Å; A39-K43 PolarHBondContact O-N 2.88Å; A39-K43 VanDerWaalsContact O-N 3.15Å; E40-K43 PolarHBondContact O-N 2.98Å; E40-K43 IonicContact OE1-NZ 3.99Å; E40-K43 PolarHBondContact OE1-NZ 3.09Å; K43-C45 VanDerWaalsContact C-N 3.32Å; K43-C45 PolarHBondContact O-N 2.84Å; K43-S46 PolarHBondContact O-N 3.27Å; K43-S46 PolarHBondContact O-OG 2.93Å; K43-E47 WeakPolarHBondContact O-CG 3.38Å; K43-E47 PolarHBondContact O-N 3.43Å
44K90.9Very high90.3Very high150 Ų15083.1 Ų83.165%0.65244%0.438SS*.Hα-helixtrans-58.3-41179.3-174.6173.3-176.6171.30112.8E40 F41 R48E40-K44 WeakPolarHBondContact O-CB 3.47Å; E40-K44 PolarHBondContact O-N 3.31Å; F41-K44 PolarHBondContact O-N 3.34Å; K44-R48 WeakPolarHBondContact O-CB 3.37Å; K44-R48 PolarHBondContact O-N 2.62Å; K44-R48 VanDerWaalsContact O-N 3.12Å
45C93.4Very high90.7Very high2 Ų288 Ų881%0.01445%0.452CS..Hα-helixtrans-64.8-45.3173.6-68.90000111.2F19 V20 C23 F41 S42 K43 E47 R48 W49F19-C45 HydrophobicContact CE1-CB 4.14Å; F19-C45 VanDerWaalsContact CE1-O 3.25Å; F19-C45 WeakPolarHBondContact CE1-O 3.43Å; V20-C45 HydrophobicContact CG2-CB 4.06Å; C23-C45 WeakPolarHBondContact CB-SG 3.25Å; F41-C45 VanDerWaalsContact CE1-SG 3.55Å; F41-C45 WeakPolarHBondContact CZ-SG 2.92Å; F41-C45 WeakPolarHBondContact O-CB 3.37Å; F41-C45 PolarHBondContact O-N 3Å; F41-C45 PolarHBondContact O-SG 3.3Å; S42-C45 PolarHBondContact O-N 3.4Å; K43-C45 VanDerWaalsContact C-N 3.32Å; K43-C45 PolarHBondContact O-N 2.84Å; C45-E47 VanDerWaalsContact C-N 3.34Å; C45-E47 PolarHBondContact O-N 3.48Å; C45-R48 PolarHBondContact O-N 3.29Å; C45-W49 WeakPolarHBondContact O-CB 3.38Å; C45-W49 PolarHBondContact O-N 3.47Å
46S92.8Very high91.2Very high36 Ų3687 Ų8725%0.25244%0.438SS..Hα-helixtrans-62.8-40.3-178.478.30000112.8S42 K43 W49 K50S42-S46 WeakPolarHBondContact O-CB 3.45Å; S42-S46 PolarHBondContact O-N 2.93Å; K43-S46 PolarHBondContact O-N 3.27Å; K43-S46 PolarHBondContact O-OG 2.93Å; S46-W49 PolarHBondContact O-N 3.16Å; S46-K50 WeakPolarHBondContact O-CG 3.38Å; S46-K50 PolarHBondContact O-N 3.48Å; S46-K50 VanDerWaalsContact O-N 3.1Å
47E94.3Very high91.8Very high122 Ų12287.4 Ų87.457%0.5744%0.436SS*.Hα-helixtrans-65.1-49.4176.7-72168.9-177.900110.7K43 C45 W49 K50 T51K43-E47 WeakPolarHBondContact O-CG 3.38Å; K43-E47 PolarHBondContact O-N 3.43Å; C45-E47 VanDerWaalsContact C-N 3.34Å; C45-E47 PolarHBondContact O-N 3.48Å; E47-W49 VanDerWaalsContact C-N 3.33Å; E47-W49 PolarHBondContact O-N 3.14Å; E47-K50 PolarHBondContact O-N 2.94Å; E47-T51 PolarHBondContact O-N 3.02Å; E47-T51 VanDerWaalsContact O-N 3.15Å; E47-T51 PolarHBondContact O-OG1 3.23Å
48R93.1Very high92.3Very high100 Ų10084.5 Ų84.538%0.37743%0.427SS..Hα-helixtrans-60.2-43176.5-173.8177.3174.5-176.32.3111F19 E26 K44 C45 K50 T51 M52F19-R48 HydrophobicContact CE2-CG 4.17Å; F19-R48 HydrophobicContact CZ-CB 3.81Å; F19-R48 HydrophobicContact CZ-CG 3.61Å; E26-R48 IonicContact OE1-NH2 2.77Å; E26-R48 IonicContact OE2-CZ 3Å; E26-R48 IonicContact OE2-NH1 3.84Å; E26-R48 PolarHBondContact OE2-NH1 3.32Å; E26-R48 IonicContact OE2-NH2 2.73Å; K44-R48 WeakPolarHBondContact O-CB 3.37Å; K44-R48 PolarHBondContact O-N 2.62Å; K44-R48 VanDerWaalsContact O-N 3.12Å; C45-R48 PolarHBondContact O-N 3.29Å; R48-K50 VanDerWaalsContact C-N 3.31Å; R48-K50 PolarHBondContact O-N 3.44Å; R48-T51 PolarHBondContact O-N 3.03Å; R48-T51 PolarHBondContact O-OG1 2.75Å; R48-T51 VanDerWaalsContact O-OG1 3.07Å; R48-M52 HydrophobicContact CG-CG 4.23Å; R48-M52 HydrophobicContact CG-SD 4.4Å; R48-M52 WeakPolarHBondContact O-CG 3.49Å; R48-M52 PolarHBondContact O-N 3.25Å
49W95.2Very high92.7Very high49 Ų4982.4 Ų82.419%0.18642%0.417CS..Hα-helixtrans-60.9-39.2177.6-176-106.2000112.7A15 Y16 F19 C45 S46 E47 T51 K57 F60A15-W49 HydrophobicContact CB-CH2 3.89Å; A15-W49 HydrophobicContact CB-CZ2 4.19Å; Y16-W49 HydrophobicContact CD2-CB 3.9Å; Y16-W49 AromaticContact CD2-CD1 3.76Å; Y16-W49 AromaticContact CD2-CD2 3.75Å; Y16-W49 HydrophobicContact CD2-CD2 3.75Å; Y16-W49 HydrophobicContact CD2-CE3 4.36Å; Y16-W49 AromaticContact CD2-CG 3.52Å; Y16-W49 HydrophobicContact CD2-CG 3.52Å; Y16-W49 HydrophobicContact CE2-CB 3.79Å; Y16-W49 AromaticContact CE2-CG 3.93Å; Y16-W49 HydrophobicContact CE2-CG 3.93Å; F19-W49 HydrophobicContact CB-CE3 3.54Å; F19-W49 HydrophobicContact CB-CH2 4.42Å; F19-W49 HydrophobicContact CB-CZ3 3.42Å; F19-W49 VanDerWaalsContact CB-CZ3 3.42Å; F19-W49 HydrophobicContact CD1-CB 4.07Å; F19-W49 HydrophobicContact CD1-CD2 4.24Å; F19-W49 AromaticContact CD1-CE3 3.57Å; F19-W49 HydrophobicContact CD1-CE3 3.57Å; F19-W49 HydrophobicContact CD1-CG 4.49Å; F19-W49 HydrophobicContact CD1-CZ3 4.35Å; F19-W49 AromaticContact CD2-CE3 3.77Å; F19-W49 HydrophobicContact CD2-CE3 3.77Å; F19-W49 HydrophobicContact CD2-CZ3 4.06Å; F19-W49 HydrophobicContact CE1-CB 3.85Å; F19-W49 HydrophobicContact CE1-CE3 4.22Å; F19-W49 HydrophobicContact CE2-CE3 4.37Å; F19-W49 HydrophobicContact CG-CD2 4.37Å; F19-W49 AromaticContact CG-CE3 3.31Å; F19-W49 HydrophobicContact CG-CE3 3.31Å; F19-W49 AromaticContact CG-CZ3 3.68Å; F19-W49 HydrophobicContact CG-CZ3 3.68Å; F19-W49 HydrophobicContact CZ-CB 4.46Å; C45-W49 WeakPolarHBondContact O-CB 3.38Å; C45-W49 PolarHBondContact O-N 3.47Å; S46-W49 PolarHBondContact O-N 3.16Å; E47-W49 VanDerWaalsContact C-N 3.33Å; E47-W49 PolarHBondContact O-N 3.14Å; W49-T51 VanDerWaalsContact C-N 3.35Å; W49-K57 HydrophobicContact CE3-CG 4.45Å; W49-K57 HydrophobicContact CH2-CB 4.26Å; W49-K57 HydrophobicContact CH2-CG 3.88Å; W49-K57 HydrophobicContact CZ2-CD 4.44Å; W49-K57 HydrophobicContact CZ2-CG 4.05Å; W49-K57 HydrophobicContact CZ3-CG 4.08Å; W49-K57 WeakPolarHBondContact O-CE 3.36Å; W49-K57 PolarHBondContact O-NZ 2.96Å; W49-F60 HydrophobicContact CH2-CB 3.91Å; W49-F60 HydrophobicContact CH2-CD2 4.23Å; W49-F60 HydrophobicContact CH2-CG 4.32Å; W49-F60 HydrophobicContact CZ3-CB 4.09Å; W49-F60 AromaticContact CZ3-CD2 3.64Å; W49-F60 HydrophobicContact CZ3-CD2 3.64Å; W49-F60 HydrophobicContact CZ3-CE2 4.32Å; W49-F60 AromaticContact CZ3-CG 3.97Å; W49-F60 HydrophobicContact CZ3-CG 3.97Å
50K94.3Very high93.1Very high161 Ų16180.6 Ų80.670%0.740%0.4SS*.Hα-helixtrans-65.6-37.8177.8-72.8171.4-177.6178.30112.1S46 E47 R48S46-K50 WeakPolarHBondContact O-CG 3.38Å; S46-K50 PolarHBondContact O-N 3.48Å; S46-K50 VanDerWaalsContact O-N 3.1Å; E47-K50 PolarHBondContact O-N 2.94Å; R48-K50 VanDerWaalsContact C-N 3.31Å; R48-K50 PolarHBondContact O-N 3.44Å
51T94.4Very high93.4Very high119 Ų11979.2 Ų79.273%0.7340%0.396SS*.Hα-helixtrans-83.9-14.1-17958.70000114.5E47 R48 W49E47-T51 PolarHBondContact O-N 3.02Å; E47-T51 VanDerWaalsContact O-N 3.15Å; E47-T51 PolarHBondContact O-OG1 3.23Å; R48-T51 PolarHBondContact O-N 3.03Å; R48-T51 PolarHBondContact O-OG1 2.75Å; R48-T51 VanDerWaalsContact O-OG1 3.07Å; W49-T51 VanDerWaalsContact C-N 3.35Å
52M92.7Very high93.8Very high22 Ų2284.4 Ų84.411%0.10842%0.42CS..SBendtrans-65.7140.1178.3-69.8-92.4-71.900112.1F19 R48 E56 K57 F60F19-M52 HydrophobicContact CD2-CE 4.22Å; F19-M52 HydrophobicContact CE2-CE 3.95Å; F19-M52 HydrophobicContact CE2-CG 4.4Å; F19-M52 HydrophobicContact CE2-SD 4.39Å; R48-M52 HydrophobicContact CG-CG 4.23Å; R48-M52 HydrophobicContact CG-SD 4.4Å; R48-M52 WeakPolarHBondContact O-CG 3.49Å; R48-M52 PolarHBondContact O-N 3.25Å; M52-E56 HydrophobicContact CE-CB 3.46Å; M52-E56 VanDerWaalsContact CE-CB 3.46Å; M52-E56 HydrophobicContact CE-CG 4.25Å; M52-E56 HydrophobicContact SD-CB 4.22Å; M52-K57 HydrophobicContact CB-CG 4.26Å; M52-K57 WeakPolarHBondContact O-CE 3.45Å; M52-K57 PolarHBondContact O-NZ 2.91Å; M52-F60 HydrophobicContact CE-CE2 3.84Å
53S94Very high94.2Very high52 Ų5285.2 Ų85.236%0.36442%0.42SS..  trans-68160.1178.666.80000112.2K55 E56 K57S53-K55 PolarHBondContact O-N 3.3Å; S53-E56 WeakPolarHBondContact CB-OE2 3.37Å; S53-E56 PolarHBondContact N-OE2 3.47Å; S53-E56 PolarHBondContact O-N 3.42Å; S53-E56 VanDerWaalsContact OG-CG 3.29Å; S53-E56 WeakPolarHBondContact OG-CG 3.33Å; S53-E56 PolarHBondContact OG-N 3.36Å; S53-E56 PolarHBondContact OG-OE2 2.89Å; S53-K57 WeakPolarHBondContact O-CG 3.49Å; S53-K57 PolarHBondContact O-N 2.83Å
54S92.7Very high94.4Very high105 Ų10580.9 Ų80.973%0.73441%0.405SS*.Hα-helixtrans-57.9-34.8174.7-52.30000112.2K57 A58S54-K57 PolarHBondContact O-N 3.03Å; S54-A58 WeakPolarHBondContact O-CB 3.43Å; S54-A58 PolarHBondContact O-N 3.49Å
55K93.1Very high94.8Very high183 Ų18380.8 Ų80.880%0.79640%0.404SS*.Hα-helixtrans-66.7-41.4177.8-174.6172.3-177.1169.70112.1S53 A58S53-K55 PolarHBondContact O-N 3.3Å; K55-A58 WeakPolarHBondContact O-CB 3.26Å; K55-A58 PolarHBondContact O-N 2.96Å
56E91.8Very high95Very high92 Ų9283.6 Ų83.643%0.4343%0.428SS..Hα-helixtrans-72.6-36.1177.7-64.9164.8111.200111.8M52 S53 A58 K59 F60M52-E56 HydrophobicContact CE-CB 3.46Å; M52-E56 VanDerWaalsContact CE-CB 3.46Å; M52-E56 HydrophobicContact CE-CG 4.25Å; M52-E56 HydrophobicContact SD-CB 4.22Å; S53-E56 WeakPolarHBondContact CB-OE2 3.37Å; S53-E56 PolarHBondContact N-OE2 3.47Å; S53-E56 PolarHBondContact O-N 3.42Å; S53-E56 VanDerWaalsContact OG-CG 3.29Å; S53-E56 WeakPolarHBondContact OG-CG 3.33Å; S53-E56 PolarHBondContact OG-N 3.36Å; S53-E56 PolarHBondContact OG-OE2 2.89Å; E56-A58 VanDerWaalsContact C-N 3.33Å; E56-K59 PolarHBondContact O-N 3.12Å; E56-F60 VanDerWaalsContact O-CD2 3.24Å; E56-F60 WeakPolarHBondContact O-CD2 3.48Å
57K95.2Very high95.2Very high46 Ų4682.8 Ų82.820%0.242%0.421CS..Hα-helixtrans-63.8-37.9172.9-75171.6170.7143.80112.2W49 M52 S53 S54 K59 F60 D61W49-K57 HydrophobicContact CE3-CG 4.45Å; W49-K57 HydrophobicContact CH2-CB 4.26Å; W49-K57 HydrophobicContact CH2-CG 3.88Å; W49-K57 HydrophobicContact CZ2-CD 4.44Å; W49-K57 HydrophobicContact CZ2-CG 4.05Å; W49-K57 HydrophobicContact CZ3-CG 4.08Å; W49-K57 WeakPolarHBondContact O-CE 3.36Å; W49-K57 PolarHBondContact O-NZ 2.96Å; M52-K57 HydrophobicContact CB-CG 4.26Å; M52-K57 WeakPolarHBondContact O-CE 3.45Å; M52-K57 PolarHBondContact O-NZ 2.91Å; S53-K57 WeakPolarHBondContact O-CG 3.49Å; S53-K57 PolarHBondContact O-N 2.83Å; S54-K57 PolarHBondContact O-N 3.03Å; K57-K59 PolarHBondContact O-N 3.39Å; K57-F60 WeakPolarHBondContact O-CA 3.4Å; K57-F60 WeakPolarHBondContact O-CB 3.49Å; K57-F60 PolarHBondContact O-N 3.07Å; K57-D61 PolarHBondContact O-N 3.37Å
58A96.4Very high95.3Very high41 Ų4181.6 Ų81.634%0.33941%0.414SS..Hα-helixtrans-54.3-39.3179.200000112.6S54 K55 E56 F60 D61 E62S54-A58 WeakPolarHBondContact O-CB 3.43Å; S54-A58 PolarHBondContact O-N 3.49Å; K55-A58 WeakPolarHBondContact O-CB 3.26Å; K55-A58 PolarHBondContact O-N 2.96Å; E56-A58 VanDerWaalsContact C-N 3.33Å; A58-F60 VanDerWaalsContact C-N 3.28Å; A58-F60 PolarHBondContact O-N 3.28Å; A58-D61 PolarHBondContact O-N 3.47Å; A58-D61 VanDerWaalsContact O-N 3.16Å; A58-E62 WeakPolarHBondContact O-CG 3.35Å; A58-E62 PolarHBondContact O-N 3.01Å
59K94.8Very high95.5Very high119 Ų11981.7 Ų81.752%0.51743%0.425SS..Hα-helixtrans-56.3-41.6174.2178.2-178.9176.2-179.80112.4E56 K57 M63E56-K59 PolarHBondContact O-N 3.12Å; K57-K59 PolarHBondContact O-N 3.39Å; K59-M63 HydrophobicContact CG-CE 4.28Å; K59-M63 WeakPolarHBondContact O-CG 3.31Å; K59-M63 PolarHBondContact O-N 2.94Å
60F96.9Very high95.6Very high12 Ų1282.8 Ų82.85%0.05343%0.429CS..Hα-helixtrans-78-31.2179.2-62.9-73000112.2A15 F18 F19 T22 W49 M52 E56 K57 A58 E62 M63 A64A15-F60 WeakPolarHBondContact CA-O 3.37Å; A15-F60 HydrophobicContact CB-CB 3.82Å; A15-F60 WeakPolarHBondContact CB-O 3.47Å; A15-F60 WeakPolarHBondContact O-CB 3.44Å; F18-F60 HydrophobicContact CB-CD1 3.88Å; F19-F60 VanDerWaalsContact CA-CE1 3.43Å; F19-F60 HydrophobicContact CB-CD1 3.89Å; F19-F60 HydrophobicContact CB-CD2 4.23Å; F19-F60 HydrophobicContact CB-CE1 3.88Å; F19-F60 HydrophobicContact CB-CE2 4.23Å; F19-F60 HydrophobicContact CB-CG 4.06Å; F19-F60 HydrophobicContact CB-CZ 4.05Å; F19-F60 HydrophobicContact CD2-CD2 4.35Å; F19-F60 HydrophobicContact CD2-CE1 4.29Å; F19-F60 AromaticContact CD2-CE2 3.67Å; F19-F60 HydrophobicContact CD2-CE2 3.67Å; F19-F60 AromaticContact CD2-CZ 3.63Å; F19-F60 HydrophobicContact CD2-CZ 3.63Å; F19-F60 HydrophobicContact CG-CE2 4.42Å; F19-F60 HydrophobicContact CG-CZ 4.34Å; T22-F60 HydrophobicContact CG2-CE1 3.73Å; T22-F60 HydrophobicContact CG2-CZ 4.33Å; W49-F60 HydrophobicContact CH2-CB 3.91Å; W49-F60 HydrophobicContact CH2-CD2 4.23Å; W49-F60 HydrophobicContact CH2-CG 4.32Å; W49-F60 HydrophobicContact CZ3-CB 4.09Å; W49-F60 AromaticContact CZ3-CD2 3.64Å; W49-F60 HydrophobicContact CZ3-CD2 3.64Å; W49-F60 HydrophobicContact CZ3-CE2 4.32Å; W49-F60 AromaticContact CZ3-CG 3.97Å; W49-F60 HydrophobicContact CZ3-CG 3.97Å; M52-F60 HydrophobicContact CE-CE2 3.84Å; E56-F60 VanDerWaalsContact O-CD2 3.24Å; E56-F60 WeakPolarHBondContact O-CD2 3.48Å; K57-F60 WeakPolarHBondContact O-CA 3.4Å; K57-F60 WeakPolarHBondContact O-CB 3.49Å; K57-F60 PolarHBondContact O-N 3.07Å; A58-F60 VanDerWaalsContact C-N 3.28Å; A58-F60 PolarHBondContact O-N 3.28Å; F60-E62 VanDerWaalsContact C-N 3.33Å; F60-M63 HydrophobicContact CD1-SD 4.16Å; F60-M63 PolarHBondContact O-N 3.18Å; F60-A64 WeakPolarHBondContact O-CB 3Å; F60-A64 PolarHBondContact O-N 3.47Å
61D96Very high95.6Very high73 Ų7377.2 Ų77.239%0.3940%0.404SS..Hα-helixtrans-64.2-39.1171.7-67-43.6000111.4A15 K57 A58 A64 K65A15-D61 WeakPolarHBondContact CB-OD1 3.17Å; K57-D61 PolarHBondContact O-N 3.37Å; A58-D61 PolarHBondContact O-N 3.47Å; A58-D61 VanDerWaalsContact O-N 3.16Å; D61-A64 PolarHBondContact O-N 3.46Å; D61-K65 WeakPolarHBondContact O-CG 3.44Å; D61-K65 PolarHBondContact O-N 3.49Å
62E97Very high95.5Very high130 Ų13074.9 Ų74.961%0.60739%0.387SS*.Hα-helixtrans-63.3-44172.4-71.5-17913900112.1A58 F60 A64 K65 A66A58-E62 WeakPolarHBondContact O-CG 3.35Å; A58-E62 PolarHBondContact O-N 3.01Å; F60-E62 VanDerWaalsContact C-N 3.33Å; E62-A64 VanDerWaalsContact C-N 3.3Å; E62-A64 PolarHBondContact O-N 2.85Å; E62-K65 PolarHBondContact O-N 3.15Å; E62-A66 PolarHBondContact O-N 2.96Å
63M96.5Very high95.5Very high65 Ų6582.9 Ų82.932%0.3242%0.416SS..Hα-helixtrans-59.6-41.3173.3-69.6177.2177.300111.8F18 K59 F60 A66 D67F18-M63 HydrophobicContact CB-CB 4.37Å; F18-M63 HydrophobicContact CB-SD 4.19Å; F18-M63 HydrophobicContact CD1-CB 4.25Å; F18-M63 HydrophobicContact CD1-SD 4.28Å; F18-M63 HydrophobicContact CD2-CB 3.62Å; F18-M63 HydrophobicContact CE1-CB 4.49Å; F18-M63 HydrophobicContact CE2-CB 3.89Å; F18-M63 WeakPolarHBondContact CE2-O 3.21Å; F18-M63 HydrophobicContact CG-CB 3.83Å; F18-M63 HydrophobicContact CG-SD 4.26Å; F18-M63 HydrophobicContact CZ-CB 4.32Å; K59-M63 HydrophobicContact CG-CE 4.28Å; K59-M63 WeakPolarHBondContact O-CG 3.31Å; K59-M63 PolarHBondContact O-N 2.94Å; F60-M63 HydrophobicContact CD1-SD 4.16Å; F60-M63 PolarHBondContact O-N 3.18Å; M63-A66 PolarHBondContact O-N 3.47Å; M63-D67 WeakPolarHBondContact O-CB 3.4Å; M63-D67 PolarHBondContact O-N 3.36Å
64A97.7Very high95.4Very high20 Ų2083.6 Ų83.617%0.16541%0.414CS..Hα-helixtrans-65.2-38.4176.600000112.7A15 F60 D61 E62 D67 K68A15-A64 HydrophobicContact CB-CB 4.24Å; F60-A64 WeakPolarHBondContact O-CB 3Å; F60-A64 PolarHBondContact O-N 3.47Å; D61-A64 PolarHBondContact O-N 3.46Å; E62-A64 VanDerWaalsContact C-N 3.3Å; E62-A64 PolarHBondContact O-N 2.85Å; A64-D67 PolarHBondContact O-N 3.35Å; A64-K68 WeakPolarHBondContact O-CB 3.38Å; A64-K68 PolarHBondContact O-N 3.36Å
65K98.1Very high95.2Very high147 Ų14781.5 Ų81.564%0.63939%0.393SS*.Hα-helixtrans-64.2-46173.2-72171.2-175.8176.70111.2D61 E62 D67 K68 V69D61-K65 WeakPolarHBondContact O-CG 3.44Å; D61-K65 PolarHBondContact O-N 3.49Å; E62-K65 PolarHBondContact O-N 3.15Å; K65-D67 VanDerWaalsContact C-N 3.33Å; K65-D67 PolarHBondContact O-N 3.41Å; K65-K68 WeakPolarHBondContact O-CB 3.24Å; K65-K68 PolarHBondContact O-N 3.48Å; K65-V69 PolarHBondContact O-N 3.49Å; K65-V69 VanDerWaalsContact O-N 3.12Å
66A97.5Very high94.8Very high61 Ų6181.6 Ų81.650%0.50439%0.393SS..Hα-helixtrans-62.1-40.7176.300000111.9E62 M63 K68 V69 R70E62-A66 PolarHBondContact O-N 2.96Å; M63-A66 PolarHBondContact O-N 3.47Å; A66-K68 VanDerWaalsContact C-N 3.34Å; A66-K68 PolarHBondContact O-N 3.49Å; A66-V69 WeakPolarHBondContact O-CB 3.35Å; A66-V69 PolarHBondContact O-N 3.33Å; A66-V69 VanDerWaalsContact O-N 3.15Å; A66-R70 PolarHBondContact O-N 3.12Å
67D97.5Very high94.2Very high19 Ų1983.6 Ų83.610%0.10241%0.407CS..Hα-helixtrans-69.8-32.1177.6-161.974.6000112.8K12 M13 F18 M63 A64 K65 V69 R70 Y71K12-D67 WeakPolarHBondContact CA-OD2 3.42Å; M13-D67 HydrophobicContact CB-CB 4.42Å; M13-D67 PolarHBondContact N-OD2 3.22Å; F18-D67 HydrophobicContact CE2-CB 3.63Å; F18-D67 HydrophobicContact CZ-CB 3.63Å; M63-D67 WeakPolarHBondContact O-CB 3.4Å; M63-D67 PolarHBondContact O-N 3.36Å; A64-D67 PolarHBondContact O-N 3.35Å; K65-D67 VanDerWaalsContact C-N 3.33Å; K65-D67 PolarHBondContact O-N 3.41Å; D67-V69 VanDerWaalsContact C-N 3.32Å; D67-R70 PolarHBondContact O-N 3.33Å; D67-R70 IonicContact OD1-CZ 3.64Å; D67-R70 IonicContact OD1-NE 2.75Å; D67-R70 PolarHBondContact OD1-NE 3.44Å; D67-R70 IonicContact OD1-NH2 3.76Å; D67-R70 PolarHBondContact OD1-NH2 2.87Å; D67-R70 IonicContact OD2-CZ 2.85Å; D67-R70 IonicContact OD2-NE 3.6Å; D67-R70 IonicContact OD2-NH2 2.94Å; D67-R70 PolarHBondContact OD2-NH2 3.17Å; D67-Y71 VanDerWaalsContact O-CB 3.3Å; D67-Y71 WeakPolarHBondContact O-CB 3.41Å; D67-Y71 PolarHBondContact O-N 3.24Å
68K97.1Very high93.6Very high97 Ų9784 Ų8442%0.42241%0.408SS..Hα-helixtrans-59.5-44.8168.7-176-174.9176.6-63.40110.6K12 A64 K65 A66 Y71 D72K12-K68 HydrophobicContact CD-CB 4.49Å; K12-K68 HydrophobicContact CD-CG 4.26Å; A64-K68 WeakPolarHBondContact O-CB 3.38Å; A64-K68 PolarHBondContact O-N 3.36Å; K65-K68 WeakPolarHBondContact O-CB 3.24Å; K65-K68 PolarHBondContact O-N 3.48Å; A66-K68 VanDerWaalsContact C-N 3.34Å; A66-K68 PolarHBondContact O-N 3.49Å; K68-Y71 PolarHBondContact O-N 3.44Å; K68-D72 IonicContact NZ-OD2 2.73Å; K68-D72 PolarHBondContact NZ-OD2 2.85Å; K68-D72 WeakPolarHBondContact O-CB 3.36Å; K68-D72 PolarHBondContact O-N 3.17Å
69V96.9Very high92.4Very high102 Ų10283.8 Ų83.862%0.61841%0.41SS*.Hα-helixtrans-63.3-44.6176.4176.70000111.3K65 A66 D67 Y71 D72 R73K65-V69 PolarHBondContact O-N 3.49Å; K65-V69 VanDerWaalsContact O-N 3.12Å; A66-V69 WeakPolarHBondContact O-CB 3.35Å; A66-V69 PolarHBondContact O-N 3.33Å; A66-V69 VanDerWaalsContact O-N 3.15Å; D67-V69 VanDerWaalsContact C-N 3.32Å; V69-Y71 PolarHBondContact O-N 2.89Å; V69-D72 PolarHBondContact O-N 2.97Å; V69-R73 WeakPolarHBondContact O-CB 3.2Å; V69-R73 PolarHBondContact O-N 3.13Å
70R96.1Very high90.9Very high72 Ų7283 Ų8327%0.27242%0.417SS..Hα-helixtrans-54.9-52.7173.2178.5-157.562.2833.7110.8K10 A66 D67 R73 E74K10-R70 PolarHBondContact O-NH2 3.24Å; K10-R70 VanDerWaalsContact O-NH2 3.14Å; A66-R70 PolarHBondContact O-N 3.12Å; D67-R70 PolarHBondContact O-N 3.33Å; D67-R70 IonicContact OD1-CZ 3.64Å; D67-R70 IonicContact OD1-NE 2.75Å; D67-R70 PolarHBondContact OD1-NE 3.44Å; D67-R70 IonicContact OD1-NH2 3.76Å; D67-R70 PolarHBondContact OD1-NH2 2.87Å; D67-R70 IonicContact OD2-CZ 2.85Å; D67-R70 IonicContact OD2-NE 3.6Å; D67-R70 IonicContact OD2-NH2 2.94Å; D67-R70 PolarHBondContact OD2-NH2 3.17Å; R70-R73 PolarHBondContact O-N 2.93Å; R70-E74 WeakPolarHBondContact CD-OE1 3.36Å; R70-E74 HydrophobicContact CG-CG 4.49Å; R70-E74 VanDerWaalsContact CG-OE1 3.25Å; R70-E74 WeakPolarHBondContact CG-OE1 3.35Å; R70-E74 IonicContact CZ-OE1 3.82Å; R70-E74 IonicContact NH1-OE1 2.7Å; R70-E74 PolarHBondContact NH1-OE1 3.48Å; R70-E74 IonicContact NH1-OE2 3.9Å; R70-E74 PolarHBondContact NH1-OE2 3.41Å; R70-E74 WeakPolarHBondContact O-CG 3.25Å; R70-E74 PolarHBondContact O-N 2.93Å
71Y95.1Very high89Confident45 Ų4587 Ų8718%0.17645%0.452CS..Hα-helixtrans-62.7-45-178-179.6-107.3000112.1P9 K10 K12 D67 K68 V69 R73 E74 M75P9-Y71 HydrophobicContact CB-CD2 4.24Å; P9-Y71 HydrophobicContact CB-CE2 4.14Å; K10-Y71 WeakPolarHBondContact O-CD2 3.42Å; K12-Y71 HydrophobicContact CB-CD1 4.13Å; K12-Y71 HydrophobicContact CB-CG 3.98Å; K12-Y71 HydrophobicContact CD-CD1 4.45Å; K12-Y71 HydrophobicContact CG-CD1 4.46Å; D67-Y71 VanDerWaalsContact O-CB 3.3Å; D67-Y71 WeakPolarHBondContact O-CB 3.41Å; D67-Y71 PolarHBondContact O-N 3.24Å; K68-Y71 PolarHBondContact O-N 3.44Å; V69-Y71 PolarHBondContact O-N 2.89Å; Y71-R73 VanDerWaalsContact C-N 3.3Å; Y71-R73 PolarHBondContact O-N 2.84Å; Y71-E74 PolarHBondContact O-N 3.02Å; Y71-M75 HydrophobicContact CD1-CG 3.98Å; Y71-M75 HydrophobicContact CD2-CG 3.97Å; Y71-M75 HydrophobicContact CE1-CG 3.58Å; Y71-M75 HydrophobicContact CE1-SD 4.39Å; Y71-M75 HydrophobicContact CE2-CG 3.53Å; Y71-M75 HydrophobicContact CE2-SD 3.82Å; Y71-M75 HydrophobicContact CG-CG 4.19Å; Y71-M75 WeakPolarHBondContact O-CB 3.41Å; Y71-M75 WeakPolarHBondContact O-CG 3.32Å; Y71-M75 PolarHBondContact O-N 3.49Å; Y71-M75 PolarHBondContact OH-SD 3.23Å; Y71-M75 VanDerWaalsContact OH-SD 3.33Å
72D92.6Very high86.8Confident70 Ų7092.2 Ų92.237%0.37447%0.472SS..Hα-helixtrans-62.6-38.8178.7-68-16.4000110.9K68 V69 K76K68-D72 IonicContact NZ-OD2 2.73Å; K68-D72 PolarHBondContact NZ-OD2 2.85Å; K68-D72 WeakPolarHBondContact O-CB 3.36Å; K68-D72 PolarHBondContact O-N 3.17Å; V69-D72 PolarHBondContact O-N 2.97Å; D72-K76 PolarHBondContact O-N 3.42Å
73R92.4Very high84.6Confident189 Ų18989.6 Ų89.671%0.71348%0.479SS*.Hα-helixtrans-64.4-52.4173.6179.5-177.7174.5-176.3-0.2111.9V69 R70 Y71 M75 K76V69-R73 WeakPolarHBondContact O-CB 3.2Å; V69-R73 PolarHBondContact O-N 3.13Å; R70-R73 PolarHBondContact O-N 2.93Å; Y71-R73 VanDerWaalsContact C-N 3.3Å; Y71-R73 PolarHBondContact O-N 2.84Å; R73-M75 VanDerWaalsContact C-N 3.26Å; R73-M75 PolarHBondContact O-N 3.09Å; R73-K76 WeakPolarHBondContact O-CB 3.43Å; R73-K76 PolarHBondContact O-N 3.45Å; R73-K76 VanDerWaalsContact O-N 3.16Å
74E91.5Very high82.2Confident68 Ų6889 Ų8932%0.31849%0.489SS..Hα-helixtrans-62.6-35.3178.8-70.8177.3-161.200111.6P9 R70 Y71 K76 D77 Y78P9-E74 HydrophobicContact CB-CB 3.72Å; P9-E74 WeakPolarHBondContact CB-OE2 3.32Å; P9-E74 HydrophobicContact CG-CB 3.61Å; P9-E74 WeakPolarHBondContact CG-O 3.4Å; R70-E74 WeakPolarHBondContact CD-OE1 3.36Å; R70-E74 HydrophobicContact CG-CG 4.49Å; R70-E74 VanDerWaalsContact CG-OE1 3.25Å; R70-E74 WeakPolarHBondContact CG-OE1 3.35Å; R70-E74 IonicContact CZ-OE1 3.82Å; R70-E74 IonicContact NH1-OE1 2.7Å; R70-E74 PolarHBondContact NH1-OE1 3.48Å; R70-E74 IonicContact NH1-OE2 3.9Å; R70-E74 PolarHBondContact NH1-OE2 3.41Å; R70-E74 WeakPolarHBondContact O-CG 3.25Å; R70-E74 PolarHBondContact O-N 2.93Å; Y71-E74 PolarHBondContact O-N 3.02Å; E74-K76 VanDerWaalsContact C-N 3.35Å; E74-D77 PolarHBondContact O-N 3.43Å; E74-Y78 WeakPolarHBondContact O-CB 3.2Å; E74-Y78 PolarHBondContact O-N 3.02Å
75M88.5Confident80.1Confident61 Ų6197.7 Ų97.730%0.352%0.524SS..Hα-helixtrans-68.4-29.4175.7-78.3-65.9-60.400113.3P9 Y71 R73 D77 Y78P9-M75 HydrophobicContact CB-SD 4.35Å; P9-M75 HydrophobicContact CG-SD 4.25Å; Y71-M75 HydrophobicContact CD1-CG 3.98Å; Y71-M75 HydrophobicContact CD2-CG 3.97Å; Y71-M75 HydrophobicContact CE1-CG 3.58Å; Y71-M75 HydrophobicContact CE1-SD 4.39Å; Y71-M75 HydrophobicContact CE2-CG 3.53Å; Y71-M75 HydrophobicContact CE2-SD 3.82Å; Y71-M75 HydrophobicContact CG-CG 4.19Å; Y71-M75 WeakPolarHBondContact O-CB 3.41Å; Y71-M75 WeakPolarHBondContact O-CG 3.32Å; Y71-M75 PolarHBondContact O-N 3.49Å; Y71-M75 PolarHBondContact OH-SD 3.23Å; Y71-M75 VanDerWaalsContact OH-SD 3.33Å; R73-M75 VanDerWaalsContact C-N 3.26Å; R73-M75 PolarHBondContact O-N 3.09Å; M75-D77 VanDerWaalsContact C-N 3.25Å; M75-D77 PolarHBondContact O-N 3.38Å; M75-Y78 HydrophobicContact CE-CD1 3.93Å; M75-Y78 CarbonylContact O-C 3.52Å; M75-Y78 PolarHBondContact O-N 3.27Å; M75-Y78 HydrophobicContact SD-CD1 3.58Å; M75-Y78 VanDerWaalsContact SD-CD1 3.58Å; M75-Y78 HydrophobicContact SD-CE1 4.35Å; M75-Y78 HydrophobicContact SD-CG 4.36Å
76K84.5Confident77.9Confident184 Ų18499.5 Ų99.580%0.853%0.531SS*.Hα-helixtrans-61.9-37.5172.3-177.4177.8177.3172.20111.6D72 R73 E74D72-K76 PolarHBondContact O-N 3.42Å; R73-K76 WeakPolarHBondContact O-CB 3.43Å; R73-K76 PolarHBondContact O-N 3.45Å; R73-K76 VanDerWaalsContact O-N 3.16Å; E74-K76 VanDerWaalsContact C-N 3.35Å
77D80.5Confident75.9Confident134 Ų134106.6 Ų106.672%0.71755%0.551SS**Hα-helixtrans-82.6-20.5176.4-62.4-47.3000112.1E74 M75E74-D77 PolarHBondContact O-N 3.43Å; M75-D77 VanDerWaalsContact C-N 3.25Å; M75-D77 PolarHBondContact O-N 3.38Å
78Y82.9Confident74.4Confident54 Ų54113.4 Ų113.421%0.21258%0.579CS.*  trans-93.997.2176.9-179.9-101.7000113D5 K7 K8 P9 E74 M75D5-Y78 HydrophobicContact CB-CE2 4.47Å; D5-Y78 WeakPolarHBondContact OD2-CE2 3.41Å; K7-Y78 WeakPolarHBondContact O-CD2 3.4Å; K8-Y78 HydrophobicContact CB-CD2 4.37Å; K8-Y78 HydrophobicContact CB-CE1 3.99Å; K8-Y78 HydrophobicContact CB-CE2 3.64Å; K8-Y78 WeakPolarHBondContact CB-OH 3.34Å; K8-Y78 HydrophobicContact CD-CE1 3.75Å; K8-Y78 WeakPolarHBondContact CD-OH 3.3Å; K8-Y78 HydrophobicContact CG-CD1 4.13Å; K8-Y78 HydrophobicContact CG-CE1 3.46Å; K8-Y78 VanDerWaalsContact CG-CE1 3.46Å; K8-Y78 HydrophobicContact CG-CE2 4.07Å; K8-Y78 VanDerWaalsContact CG-CZ 3.42Å; P9-Y78 HydrophobicContact CG-CD1 4.48Å; P9-Y78 HydrophobicContact CG-CD2 4.49Å; P9-Y78 HydrophobicContact CG-CG 3.94Å; E74-Y78 WeakPolarHBondContact O-CB 3.2Å; E74-Y78 PolarHBondContact O-N 3.02Å; M75-Y78 HydrophobicContact CE-CD1 3.93Å; M75-Y78 CarbonylContact O-C 3.52Å; M75-Y78 PolarHBondContact O-N 3.27Å; M75-Y78 HydrophobicContact SD-CD1 3.58Å; M75-Y78 VanDerWaalsContact SD-CD1 3.58Å; M75-Y78 HydrophobicContact SD-CE1 4.35Å; M75-Y78 HydrophobicContact SD-CG 4.36Å
79G70Confident73.2Confident38 Ų38111.8 Ų111.839%0.39258%0.576SS.*SBendtrans-132.9-175.4158.200000109.4A81G79-A81 PolarHBondContact O-N 2.84Å
80P63.9Low72.3Confident102 Ų102112.5 Ų112.566%0.66258%0.582SS**SBendtrans-49141.5153.224.2-28.6000105.4K82P80-K82 HydrophobicContact CG-CG 3.99Å; P80-K82 WeakPolarHBondContact O-CA 3.13Å; P80-K82 PolarHBondContact O-N 3.5Å
81A57.1Low71.6Confident96 Ų96112.7 Ų112.779%0.79359%0.589SS**  trans-56.483.3172.100000107.3G79 G83G79-A81 PolarHBondContact O-N 2.84Å; A81-G83 PolarHBondContact O-N 3.44Å
82K49.3Very low71Confident183 Ų183111.9 Ų111.980%0.79659%0.591SS**  trans-70.990.6-166.9-98.1-165.5172.8168.70103.7P80 G84P80-K82 HydrophobicContact CG-CG 3.99Å; P80-K82 WeakPolarHBondContact O-CA 3.13Å; P80-K82 PolarHBondContact O-N 3.5Å; K82-G84 WeakPolarHBondContact O-CA 3.46Å; K82-G84 PolarHBondContact O-N 2.95Å
83G50Low70.7Confident74 Ų74110 Ų11076%0.76358%0.583SS**SBendtrans29.457.2-176.600000111.3A81 K85A81-G83 PolarHBondContact O-N 3.44Å; G83-K85 PolarHBondContact O-N 2.98Å
84G47.9Very low70.5Confident52 Ų52109.3 Ų109.354%0.53659%0.585SS.*  trans-35.4112.1-162.700000107.9K82 K86K82-G84 WeakPolarHBondContact O-CA 3.46Å; K82-G84 PolarHBondContact O-N 2.95Å; G84-K86 PolarHBondContact O-N 3.29Å
85K52.2Low70.5Confident204 Ų204115.4 Ų115.489%0.88761%0.605SS**  trans-6085.7164.8-71.5178.6-176.7171.60102.3G83 K87G83-K85 PolarHBondContact O-N 2.98Å; K85-K87 PolarHBondContact O-N 2.91Å
86K53.2Low70.8Confident185 Ų185114.3 Ų114.380%0.80460%0.603SS**  trans-41.6121160.7-74.1-176.7178.1175.50101.1G84 K88G84-K86 PolarHBondContact O-N 3.29Å; K86-K88 PolarHBondContact O-N 2.91Å
87K55Low71.2Confident209 Ų209108.2 Ų108.291%0.90958%0.582SS**  trans-45.6105.5172.1-72.3-177.2179.1178.90103.5K85 D89K85-K87 PolarHBondContact O-N 2.91Å; K87-D89 PolarHBondContact O-N 2.72Å
88K65.2Low71.9Confident162 Ų162104.4 Ų104.470%0.70457%0.566SS**  trans-59.8134.6-177.4-73.1-179.3-179.6174.40102.6K86 P90K86-K88 PolarHBondContact O-N 2.91Å; K88-P90 WeakPolarHBondContact O-CD 3.41Å
89D73.5Confident72.5Confident64 Ų64102 Ų10234%0.34256%0.557SS.*  trans-47.6123.9176177-5.5000106.8K87 N91 A92 Y160K87-D89 PolarHBondContact O-N 2.72Å; D89-N91 PolarHBondContact O-N 3.31Å; D89-N91 WeakPolarHBondContact OD1-CB 3.38Å; D89-N91 PolarHBondContact OD1-N 3.29Å; D89-N91 PolarHBondContact OD1-ND2 3.4Å; D89-A92 HydrophobicContact CB-CB 4.08Å; D89-A92 VanDerWaalsContact O-CB 3.3Å; D89-A92 WeakPolarHBondContact O-CB 3.43Å; D89-A92 PolarHBondContact O-N 2.7Å; D89-Y160 WeakPolarHBondContact CB-OH 3.44Å; D89-Y160 WeakPolarHBondContact OD2-CE2 3.46Å; D89-Y160 PolarHBondContact OD2-OH 3Å
90P76.4Confident73.8Confident116 Ų116103.2 Ų103.275%0.75355%0.552SS**THydrogen-bonded Turntrans-55.3-20.6177.922.3-34.3000112.5K88K88-P90 WeakPolarHBondContact O-CD 3.41Å
91N81.2Confident75.4Confident76 Ų76104.5 Ų104.541%0.40655%0.547SS..THydrogen-bonded Turntrans-89.5-8.4175.6-53.3-64000114.1D89 Y160D89-N91 PolarHBondContact O-N 3.31Å; D89-N91 WeakPolarHBondContact OD1-CB 3.38Å; D89-N91 PolarHBondContact OD1-N 3.29Å; D89-N91 PolarHBondContact OD1-ND2 3.4Å; N91-Y160 HydrophobicContact CB-CE2 4.18Å; N91-Y160 WeakPolarHBondContact O-CD2 3.37Å
92A82.8Confident77.3Confident28 Ų28101 Ų10123%0.23152%0.515CS..SBendtrans-69138.9177.100000110.4D89 K94 Y160D89-A92 HydrophobicContact CB-CB 4.08Å; D89-A92 VanDerWaalsContact O-CB 3.3Å; D89-A92 WeakPolarHBondContact O-CB 3.43Å; D89-A92 PolarHBondContact O-N 2.7Å; A92-K94 PolarHBondContact O-N 2.84Å; A92-Y160 HydrophobicContact CB-CD1 4.42Å; A92-Y160 HydrophobicContact CB-CE1 3.87Å; A92-Y160 HydrophobicContact CB-CE2 4.25Å
93P86.2Confident79.5Confident31 Ų3192.3 Ų92.320%0.20148%0.478CS..PPolyproline II helixtrans-52.3136174.2-27.834.7000111.7Y153 D156 V157 Y160P93-Y153 HydrophobicContact CB-CD2 3.89Å; P93-Y153 HydrophobicContact CB-CE2 3.76Å; P93-Y153 WeakPolarHBondContact O-CE2 3.38Å; P93-D156 HydrophobicContact CB-CB 3.99Å; P93-D156 HydrophobicContact CG-CB 3.81Å; P93-D156 WeakPolarHBondContact CG-O 3.47Å; P93-V157 HydrophobicContact CB-CG2 3.91Å; P93-V157 HydrophobicContact CG-CG2 4.04Å; P93-Y160 VanDerWaalsContact CD-CG 3.45Å; P93-Y160 HydrophobicContact CG-CG 4.29Å
94K89.6Confident81.7Confident175 Ų17589.7 Ų89.776%0.76145%0.447SS*.PPolyproline II helixtrans-81.1139.3175.1-69179.6-177.7171.10109.1A92 Y153A92-K94 PolarHBondContact O-N 2.84Å; K94-Y153 WeakPolarHBondContact O-CD2 3.47Å; K94-Y153 WeakPolarHBondContact O-CE2 3.4Å
95R91.5Very high84Confident195 Ų19591.5 Ų91.574%0.73645%0.452SS*.PPolyproline II helixtrans-63.6136.2177.6-71.7-176.2179.2-149.8-0.7109.9Y153R95-Y153 HydrophobicContact CB-CE2 4.47Å; R95-Y153 HydrophobicContact CG-CE1 4.16Å; R95-Y153 HydrophobicContact CG-CE2 4.11Å; R95-Y153 WeakPolarHBondContact CG-OH 3.35Å
96P93.1Very high86Confident38 Ų3885.7 Ų85.725%0.24743%0.428CS..PPolyproline II helixtrans-71.6157.1179.427.9-31.5000111L149 K150 Y153P96-L149 HydrophobicContact CB-CB 3.64Å; P96-L149 HydrophobicContact CG-CB 4.36Å; P96-K150 HydrophobicContact CG-CB 4.33Å; P96-Y153 VanDerWaalsContact CD-CG 3.43Å; P96-Y153 HydrophobicContact CG-CG 4.2Å
97P93.7Very high88Confident57 Ų5779.4 Ų79.437%0.3740%0.4SS..PPolyproline II helixtrans-63.2145.3174.328.1-35.6000111F101 L102 L149P97-F101 HydrophobicContact CB-CB 3.77Å; P97-L102 HydrophobicContact CB-CD2 4.17Å; P97-L102 HydrophobicContact CB-CG 4.14Å; P97-L102 HydrophobicContact CG-CD2 3.55Å; P97-L102 HydrophobicContact CG-CG 3.95Å; P97-L149 HydrophobicContact CG-CD1 4.03Å
98S95Very high89.9Confident53 Ų5375.4 Ų75.437%0.37138%0.38SS..PPolyproline II helixtrans-74.7169.3169.269.30000110.9F100 F101 L102S98-F100 PolarHBondContact O-N 2.84Å; S98-F101 PolarHBondContact O-N 3.25Å; S98-F101 VanDerWaalsContact OG-CD2 3.26Å; S98-F101 WeakPolarHBondContact OG-CD2 3.2Å; S98-F101 PolarHBondContact OG-N 2.49Å; S98-L102 WeakPolarHBondContact O-CG 3.48Å; S98-L102 PolarHBondContact O-N 2.92Å
99G95.9Very high91.3Very high4 Ų471.2 Ų71.24%0.04137%0.369CS..Hα-helixtrans-52.9-42.6175.400000112.4F101 L102 F103G99-F101 PolarHBondContact O-N 3.02Å; G99-L102 WeakPolarHBondContact O-CB 3.22Å; G99-L102 PolarHBondContact O-N 2.76Å; G99-F103 PolarHBondContact O-N 3.43Å
100F96.4Very high92.2Very high64 Ų6472.9 Ų72.928%0.28137%0.373SS..Hα-helixtrans-60.3-44.1174.6175-113.9000113.1S98 L102 F103 C104 W131S98-F100 PolarHBondContact O-N 2.84Å; F100-L102 VanDerWaalsContact C-N 3.34Å; F100-L102 PolarHBondContact O-N 3Å; F100-F103 WeakPolarHBondContact O-CB 3.36Å; F100-F103 PolarHBondContact O-N 2.65Å; F100-C104 WeakPolarHBondContact CE2-SG 3.46Å; F100-C104 WeakPolarHBondContact CZ-SG 3.39Å; F100-C104 WeakPolarHBondContact O-CB 3.38Å; F100-C104 PolarHBondContact O-N 2.59Å; F100-C104 PolarHBondContact O-SG 3.3Å; F100-W131 HydrophobicContact CB-CD2 4.31Å; F100-W131 HydrophobicContact CB-CZ2 4.29Å; F100-W131 HydrophobicContact CD2-CB 3.73Å; F100-W131 AromaticContact CD2-CD1 3.76Å; F100-W131 AromaticContact CD2-CD2 3.79Å; F100-W131 HydrophobicContact CD2-CD2 3.79Å; F100-W131 HydrophobicContact CD2-CE3 4.4Å; F100-W131 AromaticContact CD2-CG 3.46Å; F100-W131 HydrophobicContact CD2-CG 3.46Å; F100-W131 VanDerWaalsContact CD2-CG 3.46Å; F100-W131 HydrophobicContact CE2-CB 3.81Å; F100-W131 HydrophobicContact CE2-CG 4.03Å; F100-W131 HydrophobicContact CG-CG 4.48Å
101F97.2Very high93Very high128 Ų12868.1 Ų68.156%0.56134%0.341SS*.Hα-helixtrans-69-33.5178.4-76.8-66.1000112.6P97 S98 G99 C104 S105P97-F101 HydrophobicContact CB-CB 3.77Å; S98-F101 PolarHBondContact O-N 3.25Å; S98-F101 VanDerWaalsContact OG-CD2 3.26Å; S98-F101 WeakPolarHBondContact OG-CD2 3.2Å; S98-F101 PolarHBondContact OG-N 2.49Å; G99-F101 PolarHBondContact O-N 3.02Å; F101-C104 PolarHBondContact O-N 2.52Å; F101-S105 PolarHBondContact O-N 3.39Å
102L96.9Very high93.6Very high22 Ų2270.7 Ų70.712%0.11535%0.349CS..Hα-helixtrans-64-43.5172.2-69.3171.1000111.3P97 S98 G99 F100 S105 E106 Y142 K145 A146 L149P97-L102 HydrophobicContact CB-CD2 4.17Å; P97-L102 HydrophobicContact CB-CG 4.14Å; P97-L102 HydrophobicContact CG-CD2 3.55Å; P97-L102 HydrophobicContact CG-CG 3.95Å; S98-L102 WeakPolarHBondContact O-CG 3.48Å; S98-L102 PolarHBondContact O-N 2.92Å; G99-L102 WeakPolarHBondContact O-CB 3.22Å; G99-L102 PolarHBondContact O-N 2.76Å; F100-L102 VanDerWaalsContact C-N 3.34Å; F100-L102 PolarHBondContact O-N 3Å; L102-S105 WeakPolarHBondContact O-CB 3.35Å; L102-S105 PolarHBondContact O-N 2.86Å; L102-E106 PolarHBondContact O-N 3.41Å; L102-Y142 HydrophobicContact CB-CD1 4.11Å; L102-K145 HydrophobicContact CD1-CB 3.87Å; L102-K145 HydrophobicContact CD1-CD 4.12Å; L102-K145 HydrophobicContact CD1-CG 3.82Å; L102-K145 HydrophobicContact CD2-CD 4.43Å; L102-A146 HydrophobicContact CD1-CB 3.9Å; L102-L149 HydrophobicContact CD1-CD1 4.27Å; L102-L149 HydrophobicContact CD2-CD1 4.12Å
103F96.6Very high94Very high2 Ų274.2 Ų74.21%0.00937%0.371CS..Hα-helixtrans-60.6-47.6172.9171.7-96.8000111.4G99 F100 S105 E106 F107 L127 M130 W131 L134 Y142G99-F103 PolarHBondContact O-N 3.43Å; F100-F103 WeakPolarHBondContact O-CB 3.36Å; F100-F103 PolarHBondContact O-N 2.65Å; F103-S105 VanDerWaalsContact C-N 3.26Å; F103-S105 PolarHBondContact O-N 2.97Å; F103-E106 PolarHBondContact O-N 3.32Å; F103-E106 VanDerWaalsContact O-N 3.09Å; F103-F107 AromaticContact CD2-CD2 3.38Å; F103-F107 HydrophobicContact CD2-CD2 3.38Å; F103-F107 AromaticContact CD2-CE2 3.52Å; F103-F107 HydrophobicContact CD2-CE2 3.52Å; F103-F107 HydrophobicContact CD2-CG 4.25Å; F103-F107 HydrophobicContact CD2-CZ 4.45Å; F103-F107 HydrophobicContact CE1-CB 4.4Å; F103-F107 HydrophobicContact CE1-CD2 4.44Å; F103-F107 HydrophobicContact CE1-CG 4.46Å; F103-F107 HydrophobicContact CE2-CB 4.43Å; F103-F107 HydrophobicContact CE2-CD1 4.19Å; F103-F107 AromaticContact CE2-CD2 3.16Å; F103-F107 HydrophobicContact CE2-CD2 3.16Å; F103-F107 HydrophobicContact CE2-CE1 4.24Å; F103-F107 AromaticContact CE2-CE2 3.25Å; F103-F107 HydrophobicContact CE2-CE2 3.25Å; F103-F107 AromaticContact CE2-CG 3.67Å; F103-F107 HydrophobicContact CE2-CG 3.67Å; F103-F107 AromaticContact CE2-CZ 3.81Å; F103-F107 HydrophobicContact CE2-CZ 3.81Å; F103-F107 HydrophobicContact CG-CD2 4.12Å; F103-F107 HydrophobicContact CZ-CB 4.16Å; F103-F107 HydrophobicContact CZ-CD1 4.25Å; F103-F107 AromaticContact CZ-CD2 3.75Å; F103-F107 HydrophobicContact CZ-CD2 3.75Å; F103-F107 HydrophobicContact CZ-CE2 4.19Å; F103-F107 AromaticContact CZ-CG 3.78Å; F103-F107 HydrophobicContact CZ-CG 3.78Å; F103-F107 WeakPolarHBondContact O-CD2 3.45Å; F103-F107 PolarHBondContact O-N 2.82Å; F103-L127 HydrophobicContact CD1-CD2 4.42Å; F103-L127 HydrophobicContact CE1-CD2 3.94Å; F103-M130 HydrophobicContact CE1-CB 4.18Å; F103-M130 HydrophobicContact CZ-CB 3.86Å; F103-W131 HydrophobicContact CB-CE3 3.59Å; F103-W131 HydrophobicContact CB-CZ3 3.61Å; F103-W131 HydrophobicContact CD1-CB 4.13Å; F103-W131 AromaticContact CD1-CE3 3.82Å; F103-W131 HydrophobicContact CD1-CE3 3.82Å; F103-W131 HydrophobicContact CD2-CE3 4.09Å; F103-W131 HydrophobicContact CD2-CZ3 4.42Å; F103-W131 HydrophobicContact CE1-CB 4.08Å; F103-W131 AromaticContact CG-CE3 3.55Å; F103-W131 HydrophobicContact CG-CE3 3.55Å; F103-W131 HydrophobicContact CG-CZ3 4.01Å; F103-L134 HydrophobicContact CD2-CD1 3.9Å; F103-L134 HydrophobicContact CE2-CD1 3.63Å; F103-L134 HydrophobicContact CZ-CD1 4.22Å; F103-Y142 HydrophobicContact CB-CD1 4.06Å; F103-Y142 HydrophobicContact CB-CD2 4.5Å; F103-Y142 HydrophobicContact CB-CE1 4.21Å; F103-Y142 HydrophobicContact CB-CG 4.23Å; F103-Y142 HydrophobicContact CD2-CE1 4.47Å; F103-Y142 AromaticContact CD2-CE2 4Å; F103-Y142 HydrophobicContact CD2-CE2 4Å; F103-Y142 AromaticContact CD2-CZ 4Å
104C96.5Very high94.4Very high18 Ų1878.5 Ų78.512%0.12240%0.397CS..Hα-helixtrans-56.7-40.3175.1-71.50000112.1F100 F101 E106 R108 L127F100-C104 WeakPolarHBondContact CE2-SG 3.46Å; F100-C104 WeakPolarHBondContact CZ-SG 3.39Å; F100-C104 WeakPolarHBondContact O-CB 3.38Å; F100-C104 PolarHBondContact O-N 2.59Å; F100-C104 PolarHBondContact O-SG 3.3Å; F101-C104 PolarHBondContact O-N 2.52Å; C104-E106 VanDerWaalsContact C-N 3.26Å; C104-E106 PolarHBondContact O-N 3.01Å; C104-R108 WeakPolarHBondContact O-CA 3.39Å; C104-R108 WeakPolarHBondContact O-CB 3.47Å; C104-R108 PolarHBondContact O-N 3.16Å; C104-L127 HydrophobicContact CB-CD1 4.06Å
105S95.3Very high94.4Very high91 Ų9173.9 Ų73.964%0.63638%0.381SS*.Hα-helixtrans-60.2-36178-161.80000112.7F101 L102 F103 P109F101-S105 PolarHBondContact O-N 3.39Å; L102-S105 WeakPolarHBondContact O-CB 3.35Å; L102-S105 PolarHBondContact O-N 2.86Å; F103-S105 VanDerWaalsContact C-N 3.26Å; F103-S105 PolarHBondContact O-N 2.97Å; S105-P109 WeakPolarHBondContact O-CD 3.47Å
106E95Very high94.3Very high82 Ų8269.7 Ų69.738%0.38338%0.379SS..Hα-helixtrans-84.3-37.6-177.8-165.4-162.4139.200112.7L102 F103 C104 K110 Y142L102-E106 PolarHBondContact O-N 3.41Å; F103-E106 PolarHBondContact O-N 3.32Å; F103-E106 VanDerWaalsContact O-N 3.09Å; C104-E106 VanDerWaalsContact C-N 3.26Å; C104-E106 PolarHBondContact O-N 3.01Å; E106-K110 WeakPolarHBondContact O-CE 3.3Å; E106-K110 IonicContact OE1-NZ 2.87Å; E106-K110 PolarHBondContact OE1-NZ 3.35Å; E106-Y142 WeakPolarHBondContact OE2-CE1 3.44Å; E106-Y142 PolarHBondContact OE2-OH 2.97Å
107F94.8Very high94.2Very high52 Ų5271.7 Ų71.723%0.22841%0.407CS..Hα-helixtrans-95.1-21.5-173.5-76.4-95.4000113.8F103 K110 I111 L127 Y142F103-F107 AromaticContact CD2-CD2 3.38Å; F103-F107 HydrophobicContact CD2-CD2 3.38Å; F103-F107 AromaticContact CD2-CE2 3.52Å; F103-F107 HydrophobicContact CD2-CE2 3.52Å; F103-F107 HydrophobicContact CD2-CG 4.25Å; F103-F107 HydrophobicContact CD2-CZ 4.45Å; F103-F107 HydrophobicContact CE1-CB 4.4Å; F103-F107 HydrophobicContact CE1-CD2 4.44Å; F103-F107 HydrophobicContact CE1-CG 4.46Å; F103-F107 HydrophobicContact CE2-CB 4.43Å; F103-F107 HydrophobicContact CE2-CD1 4.19Å; F103-F107 AromaticContact CE2-CD2 3.16Å; F103-F107 HydrophobicContact CE2-CD2 3.16Å; F103-F107 HydrophobicContact CE2-CE1 4.24Å; F103-F107 AromaticContact CE2-CE2 3.25Å; F103-F107 HydrophobicContact CE2-CE2 3.25Å; F103-F107 AromaticContact CE2-CG 3.67Å; F103-F107 HydrophobicContact CE2-CG 3.67Å; F103-F107 AromaticContact CE2-CZ 3.81Å; F103-F107 HydrophobicContact CE2-CZ 3.81Å; F103-F107 HydrophobicContact CG-CD2 4.12Å; F103-F107 HydrophobicContact CZ-CB 4.16Å; F103-F107 HydrophobicContact CZ-CD1 4.25Å; F103-F107 AromaticContact CZ-CD2 3.75Å; F103-F107 HydrophobicContact CZ-CD2 3.75Å; F103-F107 HydrophobicContact CZ-CE2 4.19Å; F103-F107 AromaticContact CZ-CG 3.78Å; F103-F107 HydrophobicContact CZ-CG 3.78Å; F103-F107 WeakPolarHBondContact O-CD2 3.45Å; F103-F107 PolarHBondContact O-N 2.82Å; F107-K110 HydrophobicContact CD1-CD 4.06Å; F107-K110 HydrophobicContact CE1-CD 4.34Å; F107-K110 PolarHBondContact O-N 2.73Å; F107-I111 WeakPolarHBondContact O-CG1 3.33Å; F107-I111 PolarHBondContact O-N 2.85Å; F107-L127 HydrophobicContact CB-CD2 3.51Å; F107-Y142 WeakPolarHBondContact CE2-OH 3.4Å
108R94.4Very high94.1Very high126 Ų12670.3 Ų70.348%0.47540%0.396SS..Hα-helixtrans-54.8-50.2174.7179.9170.5-175.6-101-0.6113C104 K110 I111 K112 V123 L127C104-R108 WeakPolarHBondContact O-CA 3.39Å; C104-R108 WeakPolarHBondContact O-CB 3.47Å; C104-R108 PolarHBondContact O-N 3.16Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 2.78Å; R108-I111 PolarHBondContact O-N 3.42Å; R108-K112 PolarHBondContact O-N 3.06Å; R108-V123 HydrophobicContact CG-CG1 4.03Å; R108-L127 HydrophobicContact CB-CD1 4.02Å
109P94.7Very high94.2Very high73 Ų7370.5 Ų70.547%0.47440%0.397SS..Hα-helixtrans-63-38.3178.123.3-33.1000112S105 I111 K112 S113S105-P109 WeakPolarHBondContact O-CD 3.47Å; P109-I111 VanDerWaalsContact C-N 3.33Å; P109-I111 PolarHBondContact O-N 3.32Å; P109-K112 PolarHBondContact O-N 3.35Å; P109-S113 WeakPolarHBondContact O-CB 3.42Å; P109-S113 PolarHBondContact O-N 2.78Å
110K93.5Very high94.1Very high99 Ų9976.3 Ų76.343%0.4343%0.426SS..Hα-helixtrans-58.7-42.8176.6-57.9179.1-169170.70112.1E106 F107 R108 T114E106-K110 WeakPolarHBondContact O-CE 3.3Å; E106-K110 IonicContact OE1-NZ 2.87Å; E106-K110 PolarHBondContact OE1-NZ 3.35Å; F107-K110 HydrophobicContact CD1-CD 4.06Å; F107-K110 HydrophobicContact CE1-CD 4.34Å; F107-K110 PolarHBondContact O-N 2.73Å; R108-K110 VanDerWaalsContact C-N 3.32Å; R108-K110 PolarHBondContact O-N 2.78Å; K110-T114 PolarHBondContact O-N 2.95Å; K110-T114 PolarHBondContact O-OG1 3.28Å
111I92.8Very high94Very high16 Ų1675.2 Ų75.28%0.08243%0.432CS..Hα-helixtrans-69-41.7177-60.6162.5000111.2F107 R108 P109 T114 N115 I118 V123 K126 L127 M130F107-I111 WeakPolarHBondContact O-CG1 3.33Å; F107-I111 PolarHBondContact O-N 2.85Å; R108-I111 PolarHBondContact O-N 3.42Å; P109-I111 VanDerWaalsContact C-N 3.33Å; P109-I111 PolarHBondContact O-N 3.32Å; I111-T114 PolarHBondContact O-N 3.44Å; I111-N115 PolarHBondContact O-N 3.16Å; I111-N115 VanDerWaalsContact O-N 3.12Å; I111-I118 HydrophobicContact CG2-CD1 4.22Å; I111-V123 HydrophobicContact CB-CG1 4.39Å; I111-V123 HydrophobicContact CD1-CG1 4.14Å; I111-V123 HydrophobicContact CG2-CG1 4.24Å; I111-V123 HydrophobicContact CG2-CG2 4.16Å; I111-K126 HydrophobicContact CD1-CB 4.3Å; I111-K126 HydrophobicContact CG2-CD 4.11Å; I111-L127 HydrophobicContact CD1-CD1 4.31Å; I111-L127 HydrophobicContact CD1-CD2 3.48Å; I111-L127 VanDerWaalsContact CD1-CD2 3.48Å; I111-L127 HydrophobicContact CD1-CG 3.49Å; I111-L127 VanDerWaalsContact CD1-CG 3.49Å; I111-M130 HydrophobicContact CD1-CE 3.3Å; I111-M130 HydrophobicContact CG1-CE 3.79Å
112K92.8Very high93.9Very high131 Ų13172.1 Ų72.157%0.5742%0.422SS*.Hα-helixtrans-63.4-43.3178.9-168.4-170.3176.3-160.60110.6R108 P109 N115 P116R108-K112 PolarHBondContact O-N 3.06Å; P109-K112 PolarHBondContact O-N 3.35Å; K112-N115 CarbonylContact O-C 3.43Å; K112-N115 PolarHBondContact O-N 3.37Å; K112-P116 WeakPolarHBondContact O-CA 3.2Å
113S92.7Very high93.8Very high101 Ų10171.4 Ų71.471%0.70642%0.418SS*.Hα-helixtrans-65-39.4177171.80000112.4P109 N115P109-S113 WeakPolarHBondContact O-CB 3.42Å; P109-S113 PolarHBondContact O-N 2.78Å; S113-N115 VanDerWaalsContact C-N 3.27Å; S113-N115 PolarHBondContact O-N 3.2Å
114T92.9Very high93.7Very high121 Ų12174 Ų7474%0.74244%0.44SS*.Hα-helixtrans-68.5-27.5176.5-53.50000112.5K110 I111K110-T114 PolarHBondContact O-N 2.95Å; K110-T114 PolarHBondContact O-OG1 3.28Å; I111-T114 PolarHBondContact O-N 3.44Å
115N90.2Very high93.7Very high78 Ų7879.1 Ų79.142%0.41746%0.46SS..SBendtrans-141.473.2-178-159.3105.4000110.6I111 K112 S113 G117 I118I111-N115 PolarHBondContact O-N 3.16Å; I111-N115 VanDerWaalsContact O-N 3.12Å; K112-N115 CarbonylContact O-C 3.43Å; K112-N115 PolarHBondContact O-N 3.37Å; S113-N115 VanDerWaalsContact C-N 3.27Å; S113-N115 PolarHBondContact O-N 3.2Å; N115-G117 PolarHBondContact O-N 3.33Å; N115-I118 HydrophobicContact CB-CB 4.26Å; N115-I118 HydrophobicContact CB-CG2 4.46Å; N115-I118 WeakPolarHBondContact O-CB 3.37Å; N115-I118 WeakPolarHBondContact O-CG2 3.37Å; N115-I118 PolarHBondContact O-N 2.9Å
116P90.2Very high93.7Very high108 Ų10879 Ų7970%0.70145%0.448SS*.THydrogen-bonded Turntrans-54.9131.8178.523.5-33000109.2K112K112-P116 WeakPolarHBondContact O-CA 3.2Å
117G91.1Very high93.7Very high80 Ų8075.3 Ų75.383%0.82543%0.431SS*.THydrogen-bonded Turntrans89.40-175.600000116.7N115 S119N115-G117 PolarHBondContact O-N 3.33Å; G117-S119 PolarHBondContact O-N 2.99Å
118I92Very high93.8Very high27 Ų2773.7 Ų73.714%0.13843%0.429CS..  trans-58.6137.3171.9-172.4167.6000111.5I111 N115 D122 V123 K126I111-I118 HydrophobicContact CG2-CD1 4.22Å; N115-I118 HydrophobicContact CB-CB 4.26Å; N115-I118 HydrophobicContact CB-CG2 4.46Å; N115-I118 WeakPolarHBondContact O-CB 3.37Å; N115-I118 WeakPolarHBondContact O-CG2 3.37Å; N115-I118 PolarHBondContact O-N 2.9Å; I118-D122 HydrophobicContact CD1-CB 4.07Å; I118-D122 HydrophobicContact CG1-CB 3.89Å; I118-V123 HydrophobicContact CB-CG2 4.19Å; I118-V123 HydrophobicContact CD1-CG2 4.06Å; I118-V123 HydrophobicContact CG1-CG2 3.94Å; I118-V123 HydrophobicContact CG2-CG2 3.3Å; I118-K126 HydrophobicContact CD1-CD 4.1Å
119S95.3Very high93.9Very high57 Ų5773.4 Ų73.440%0.39943%0.433SS..  trans-65.5144.2179.2900000111.4G117 G121 D122 V123G117-S119 PolarHBondContact O-N 2.99Å; S119-G121 PolarHBondContact O-N 3.34Å; S119-G121 VanDerWaalsContact O-N 3.12Å; S119-D122 PolarHBondContact O-N 3.21Å; S119-D122 PolarHBondContact OG-N 3.12Å; S119-D122 VanDerWaalsContact OG-N 3.16Å; S119-D122 PolarHBondContact OG-OD2 3.27Å; S119-V123 WeakPolarHBondContact O-CG2 3.46Å; S119-V123 PolarHBondContact O-N 3.36Å
120I94.4Very high93.9Very high127 Ų12773.1 Ų73.165%0.65143%0.426SS*.Hα-helixtrans-54-36.4177.4-61.4168.7000111.2A124I120-A124 WeakPolarHBondContact O-CB 3.49Å; I120-A124 PolarHBondContact O-N 3.49Å
121G94.6Very high94.1Very high40 Ų4070 Ų7041%0.41241%0.412SS..Hα-helixtrans-64.6-39.5177.500000112.8S119 A124 K125S119-G121 PolarHBondContact O-N 3.34Å; S119-G121 VanDerWaalsContact O-N 3.12Å; G121-A124 PolarHBondContact O-N 2.93Å; G121-K125 WeakPolarHBondContact O-CG 3.1Å; G121-K125 PolarHBondContact O-N 3.15Å; G121-K125 VanDerWaalsContact O-N 3.14Å
122D94.6Very high94.2Very high63 Ų6374.8 Ų74.834%0.33744%0.437SS..Hα-helixtrans-77.1-34.5179.7-60.4-41.3000112.2I118 S119 A124 K125 K126I118-D122 HydrophobicContact CD1-CB 4.07Å; I118-D122 HydrophobicContact CG1-CB 3.89Å; S119-D122 PolarHBondContact O-N 3.21Å; S119-D122 PolarHBondContact OG-N 3.12Å; S119-D122 VanDerWaalsContact OG-N 3.16Å; S119-D122 PolarHBondContact OG-OD2 3.27Å; D122-A124 VanDerWaalsContact C-N 3.31Å; D122-A124 PolarHBondContact O-N 3.5Å; D122-K125 PolarHBondContact O-N 2.92Å; D122-K125 IonicContact OD1-NZ 3.79Å; D122-K125 PolarHBondContact OD1-NZ 3.47Å; D122-K126 PolarHBondContact O-N 2.92Å
123V95.3Very high94.4Very high7 Ų775.1 Ų75.14%0.04245%0.446CS..Hα-helixtrans-58.7-45.7169.3179.50000110.7R108 I111 I118 S119 K125 K126 L127R108-V123 HydrophobicContact CG-CG1 4.03Å; I111-V123 HydrophobicContact CB-CG1 4.39Å; I111-V123 HydrophobicContact CD1-CG1 4.14Å; I111-V123 HydrophobicContact CG2-CG1 4.24Å; I111-V123 HydrophobicContact CG2-CG2 4.16Å; I118-V123 HydrophobicContact CB-CG2 4.19Å; I118-V123 HydrophobicContact CD1-CG2 4.06Å; I118-V123 HydrophobicContact CG1-CG2 3.94Å; I118-V123 HydrophobicContact CG2-CG2 3.3Å; S119-V123 WeakPolarHBondContact O-CG2 3.46Å; S119-V123 PolarHBondContact O-N 3.36Å; V123-K125 VanDerWaalsContact C-N 3.34Å; V123-K125 PolarHBondContact O-N 3.46Å; V123-K126 PolarHBondContact O-N 2.77Å; V123-L127 HydrophobicContact CG1-CD1 3.84Å; V123-L127 HydrophobicContact CG1-CG 4.39Å; V123-L127 WeakPolarHBondContact O-CG 2.86Å; V123-L127 PolarHBondContact O-N 3.36Å
124A95.3Very high94.5Very high57 Ų5772 Ų7247%0.47142%0.421SS..Hα-helixtrans-62.8-39.2179.200000112.4I120 G121 D122 G128I120-A124 WeakPolarHBondContact O-CB 3.49Å; I120-A124 PolarHBondContact O-N 3.49Å; G121-A124 PolarHBondContact O-N 2.93Å; D122-A124 VanDerWaalsContact C-N 3.31Å; D122-A124 PolarHBondContact O-N 3.5Å; A124-G128 PolarHBondContact O-N 2.99Å
125K95.8Very high94.7Very high125 Ų12569.1 Ų69.154%0.54341%0.406SS..Hα-helixtrans-61.9-51.1174-69.3171.8-158.11530111.3G121 D122 V123 L127 G128 E129G121-K125 WeakPolarHBondContact O-CG 3.1Å; G121-K125 PolarHBondContact O-N 3.15Å; G121-K125 VanDerWaalsContact O-N 3.14Å; D122-K125 PolarHBondContact O-N 2.92Å; D122-K125 IonicContact OD1-NZ 3.79Å; D122-K125 PolarHBondContact OD1-NZ 3.47Å; V123-K125 VanDerWaalsContact C-N 3.34Å; V123-K125 PolarHBondContact O-N 3.46Å; K125-L127 VanDerWaalsContact C-N 3.34Å; K125-L127 PolarHBondContact O-N 3.46Å; K125-G128 PolarHBondContact O-N 2.92Å; K125-G128 VanDerWaalsContact O-N 3.12Å; K125-E129 WeakPolarHBondContact O-CG 3.4Å; K125-E129 PolarHBondContact O-N 2.81Å
126K94.9Very high94.9Very high89 Ų8971.8 Ų71.839%0.38742%0.42SS..Hα-helixtrans-57.7-43.8178.3-75.5-175.6178.9175.70112.3I111 I118 D122 V123 E129 M130I111-K126 HydrophobicContact CD1-CB 4.3Å; I111-K126 HydrophobicContact CG2-CD 4.11Å; I118-K126 HydrophobicContact CD1-CD 4.1Å; D122-K126 PolarHBondContact O-N 2.92Å; V123-K126 PolarHBondContact O-N 2.77Å; K126-E129 PolarHBondContact O-N 3.14Å; K126-M130 HydrophobicContact CB-CE 4.21Å; K126-M130 WeakPolarHBondContact O-CB 3.47Å; K126-M130 WeakPolarHBondContact O-CE 3.47Å; K126-M130 WeakPolarHBondContact O-CG 3.41Å; K126-M130 PolarHBondContact O-N 3.41Å
127L96.1Very high95.1Very high5 Ų569.3 Ų69.33%0.02641%0.414CS..Hα-helixtrans-62.7-41.3176.1-74.7168000112.4F103 C104 F107 R108 I111 V123 K125 M130 W131F103-L127 HydrophobicContact CD1-CD2 4.42Å; F103-L127 HydrophobicContact CE1-CD2 3.94Å; C104-L127 HydrophobicContact CB-CD1 4.06Å; F107-L127 HydrophobicContact CB-CD2 3.51Å; R108-L127 HydrophobicContact CB-CD1 4.02Å; I111-L127 HydrophobicContact CD1-CD1 4.31Å; I111-L127 HydrophobicContact CD1-CD2 3.48Å; I111-L127 VanDerWaalsContact CD1-CD2 3.48Å; I111-L127 HydrophobicContact CD1-CG 3.49Å; I111-L127 VanDerWaalsContact CD1-CG 3.49Å; V123-L127 HydrophobicContact CG1-CD1 3.84Å; V123-L127 HydrophobicContact CG1-CG 4.39Å; V123-L127 WeakPolarHBondContact O-CG 2.86Å; V123-L127 PolarHBondContact O-N 3.36Å; K125-L127 VanDerWaalsContact C-N 3.34Å; K125-L127 PolarHBondContact O-N 3.46Å; L127-M130 HydrophobicContact CD2-CE 4.25Å; L127-W131 WeakPolarHBondContact O-CB 3.42Å; L127-W131 PolarHBondContact O-N 2.91Å
128G96.3Very high95.3Very high17 Ų1770.4 Ų70.418%0.17540%0.398CS..Hα-helixtrans-62.3-45.6175.900000112.3A124 K125 W131 N132A124-G128 PolarHBondContact O-N 2.99Å; K125-G128 PolarHBondContact O-N 2.92Å; K125-G128 VanDerWaalsContact O-N 3.12Å; G128-W131 PolarHBondContact O-N 2.84Å; G128-N132 WeakPolarHBondContact O-CB 3.2Å; G128-N132 VanDerWaalsContact O-CG 3.3Å; G128-N132 PolarHBondContact O-N 2.9Å; G128-N132 PolarHBondContact O-ND2 2.9Å
129E96.3Very high95.5Very high120 Ų12070.3 Ų70.356%0.56140%0.396SS*.Hα-helixtrans-61.5-49.5175.9-71.5170.7-171.100111.7K125 K126 W131 N132 N133K125-E129 WeakPolarHBondContact O-CG 3.4Å; K125-E129 PolarHBondContact O-N 2.81Å; K126-E129 PolarHBondContact O-N 3.14Å; E129-W131 PolarHBondContact O-N 2.98Å; E129-N132 PolarHBondContact O-N 3.48Å; E129-N133 WeakPolarHBondContact O-CB 3.44Å; E129-N133 VanDerWaalsContact O-CG 3.26Å; E129-N133 PolarHBondContact O-N 3.31Å; E129-N133 PolarHBondContact O-ND2 3.16Å
130M95.1Very high95.6Very high67 Ų6772.2 Ų72.233%0.3340%0.399SS..Hα-helixtrans-57.9-48.3176.7-75.7-172.2-84.700111.6F103 I111 K126 L127 N132 N133 L134F103-M130 HydrophobicContact CE1-CB 4.18Å; F103-M130 HydrophobicContact CZ-CB 3.86Å; I111-M130 HydrophobicContact CD1-CE 3.3Å; I111-M130 HydrophobicContact CG1-CE 3.79Å; K126-M130 HydrophobicContact CB-CE 4.21Å; K126-M130 WeakPolarHBondContact O-CB 3.47Å; K126-M130 WeakPolarHBondContact O-CE 3.47Å; K126-M130 WeakPolarHBondContact O-CG 3.41Å; K126-M130 PolarHBondContact O-N 3.41Å; L127-M130 HydrophobicContact CD2-CE 4.25Å; M130-N132 VanDerWaalsContact C-N 3.32Å; M130-N132 PolarHBondContact O-N 2.9Å; M130-N133 PolarHBondContact O-N 3.13Å; M130-N133 VanDerWaalsContact O-N 3.14Å; M130-L134 WeakPolarHBondContact O-CG 3.45Å; M130-L134 PolarHBondContact O-N 3.21Å
131W97.1Very high95.7Very high34 Ų3469.8 Ų69.813%0.12939%0.391CS..Hα-helixtrans-58.9-42.5177.1178-99.8000112.1F100 F103 L127 G128 E129 N133 L134 K139 Y142F100-W131 HydrophobicContact CB-CD2 4.31Å; F100-W131 HydrophobicContact CB-CZ2 4.29Å; F100-W131 HydrophobicContact CD2-CB 3.73Å; F100-W131 AromaticContact CD2-CD1 3.76Å; F100-W131 AromaticContact CD2-CD2 3.79Å; F100-W131 HydrophobicContact CD2-CD2 3.79Å; F100-W131 HydrophobicContact CD2-CE3 4.4Å; F100-W131 AromaticContact CD2-CG 3.46Å; F100-W131 HydrophobicContact CD2-CG 3.46Å; F100-W131 VanDerWaalsContact CD2-CG 3.46Å; F100-W131 HydrophobicContact CE2-CB 3.81Å; F100-W131 HydrophobicContact CE2-CG 4.03Å; F100-W131 HydrophobicContact CG-CG 4.48Å; F103-W131 HydrophobicContact CB-CE3 3.59Å; F103-W131 HydrophobicContact CB-CZ3 3.61Å; F103-W131 HydrophobicContact CD1-CB 4.13Å; F103-W131 AromaticContact CD1-CE3 3.82Å; F103-W131 HydrophobicContact CD1-CE3 3.82Å; F103-W131 HydrophobicContact CD2-CE3 4.09Å; F103-W131 HydrophobicContact CD2-CZ3 4.42Å; F103-W131 HydrophobicContact CE1-CB 4.08Å; F103-W131 AromaticContact CG-CE3 3.55Å; F103-W131 HydrophobicContact CG-CE3 3.55Å; F103-W131 HydrophobicContact CG-CZ3 4.01Å; L127-W131 WeakPolarHBondContact O-CB 3.42Å; L127-W131 PolarHBondContact O-N 2.91Å; G128-W131 PolarHBondContact O-N 2.84Å; E129-W131 PolarHBondContact O-N 2.98Å; W131-N133 VanDerWaalsContact C-N 3.29Å; W131-N133 PolarHBondContact O-N 3.31Å; W131-L134 HydrophobicContact CE3-CD1 4.02Å; W131-L134 HydrophobicContact CZ3-CD1 4.43Å; W131-L134 PolarHBondContact O-N 3.35Å; W131-K139 HydrophobicContact CD2-CG 4.44Å; W131-K139 HydrophobicContact CE3-CG 4.34Å; W131-K139 HydrophobicContact CH2-CB 4Å; W131-K139 HydrophobicContact CH2-CG 3.81Å; W131-K139 HydrophobicContact CZ2-CB 4.32Å; W131-K139 HydrophobicContact CZ2-CD 4.14Å; W131-K139 HydrophobicContact CZ2-CG 3.91Å; W131-K139 HydrophobicContact CZ3-CB 4.47Å; W131-K139 HydrophobicContact CZ3-CG 4.03Å; W131-K139 WeakPolarHBondContact O-CE 3.42Å; W131-K139 PolarHBondContact O-NZ 3.37Å; W131-Y142 HydrophobicContact CZ3-CD2 4Å; W131-Y142 HydrophobicContact CZ3-CG 4.15Å
132N96Very high95.9Very high116 Ų11669.6 Ų69.662%0.6238%0.379SS*.Hα-helixtrans-65.7-34.2178.6-73.3-42.3000112.3G128 E129 M130 K139G128-N132 WeakPolarHBondContact O-CB 3.2Å; G128-N132 VanDerWaalsContact O-CG 3.3Å; G128-N132 PolarHBondContact O-N 2.9Å; G128-N132 PolarHBondContact O-ND2 2.9Å; E129-N132 PolarHBondContact O-N 3.48Å; M130-N132 VanDerWaalsContact C-N 3.32Å; M130-N132 PolarHBondContact O-N 2.9Å; N132-K139 PolarHBondContact O-NZ 3.46Å
133N96.6Very high95.9Very high139 Ų13969.7 Ų69.774%0.74338%0.379SS*.Hα-helixtrans-77.9-19.3179.1-68.1-19.3000114.2E129 M130 W131E129-N133 WeakPolarHBondContact O-CB 3.44Å; E129-N133 VanDerWaalsContact O-CG 3.26Å; E129-N133 PolarHBondContact O-N 3.31Å; E129-N133 PolarHBondContact O-ND2 3.16Å; M130-N133 PolarHBondContact O-N 3.13Å; M130-N133 VanDerWaalsContact O-N 3.14Å; W131-N133 VanDerWaalsContact C-N 3.29Å; W131-N133 PolarHBondContact O-N 3.31Å
134L95Very high96Very high35 Ų3573.6 Ų73.618%0.18340%0.4CS..SBendtrans-62.6140.2173.8-69.3-178.4000111.5F103 M130 W131 E138 K139F103-L134 HydrophobicContact CD2-CD1 3.9Å; F103-L134 HydrophobicContact CE2-CD1 3.63Å; F103-L134 HydrophobicContact CZ-CD1 4.22Å; M130-L134 WeakPolarHBondContact O-CG 3.45Å; M130-L134 PolarHBondContact O-N 3.21Å; W131-L134 HydrophobicContact CE3-CD1 4.02Å; W131-L134 HydrophobicContact CZ3-CD1 4.43Å; W131-L134 PolarHBondContact O-N 3.35Å; L134-E138 HydrophobicContact CB-CB 4.16Å; L134-E138 HydrophobicContact CD2-CB 4.06Å; L134-E138 HydrophobicContact CG-CB 4.46Å; L134-K139 HydrophobicContact CB-CG 3.97Å; L134-K139 HydrophobicContact CD1-CG 4.49Å; L134-K139 WeakPolarHBondContact O-CE 3.42Å; L134-K139 PolarHBondContact O-NZ 3.41Å
135S96Very high96Very high61 Ų6177 Ų7743%0.42740%0.404SS..  trans-67.3161170.3660000111.8G137 E138 K139S135-G137 PolarHBondContact O-N 2.89Å; S135-E138 WeakPolarHBondContact CB-OE2 3.16Å; S135-E138 PolarHBondContact N-OE2 2.86Å; S135-E138 PolarHBondContact O-N 3Å; S135-E138 VanDerWaalsContact O-N 3.13Å; S135-E138 WeakPolarHBondContact OG-CG 3.43Å; S135-E138 PolarHBondContact OG-N 3.29Å; S135-E138 PolarHBondContact OG-OE2 2.73Å; S135-K139 WeakPolarHBondContact O-CG 3.46Å; S135-K139 PolarHBondContact O-N 2.94Å
136D94.6Very high96.1Very high133 Ų13371.6 Ų71.671%0.71138%0.383SS*.Hα-helixtrans-59.6-31.9175.6-70.8-30.2000112.2K139 Q140D136-K139 PolarHBondContact O-N 2.92Å; D136-Q140 WeakPolarHBondContact O-CB 3.35Å; D136-Q140 PolarHBondContact O-N 2.85Å
137G95.8Very high96.2Very high57 Ų5770 Ų7059%0.58839%0.386SS*.Hα-helixtrans-64.6-40.6175.100000113S135 Q140 P141S135-G137 PolarHBondContact O-N 2.89Å; G137-Q140 WeakPolarHBondContact O-CB 3.4Å; G137-Q140 PolarHBondContact O-N 2.72Å; G137-P141 WeakPolarHBondContact O-CD 3.29Å
138E94.8Very high96.2Very high102 Ų10277 Ų7748%0.47742%0.416SS..Hα-helixtrans-75.2-32177.3-68.1166.4111.300112.4L134 S135 Q140 P141 Y142L134-E138 HydrophobicContact CB-CB 4.16Å; L134-E138 HydrophobicContact CD2-CB 4.06Å; L134-E138 HydrophobicContact CG-CB 4.46Å; S135-E138 WeakPolarHBondContact CB-OE2 3.16Å; S135-E138 PolarHBondContact N-OE2 2.86Å; S135-E138 PolarHBondContact O-N 3Å; S135-E138 VanDerWaalsContact O-N 3.13Å; S135-E138 WeakPolarHBondContact OG-CG 3.43Å; S135-E138 PolarHBondContact OG-N 3.29Å; S135-E138 PolarHBondContact OG-OE2 2.73Å; E138-Q140 VanDerWaalsContact C-N 3.3Å; E138-P141 VanDerWaalsContact O-CD 3.27Å; E138-P141 WeakPolarHBondContact O-CD 3.39Å; E138-P141 VanDerWaalsContact O-CG 3.25Å; E138-P141 WeakPolarHBondContact O-CG 3.4Å; E138-Y142 WeakPolarHBondContact O-CD2 3.41Å
139K96.4Very high96.2Very high26 Ų2679.1 Ų79.111%0.11342%0.423CS..Hα-helixtrans-70.1-29172.1-72.4171.8169.81350112.4W131 N132 L134 S135 D136 Y142 N143W131-K139 HydrophobicContact CD2-CG 4.44Å; W131-K139 HydrophobicContact CE3-CG 4.34Å; W131-K139 HydrophobicContact CH2-CB 4Å; W131-K139 HydrophobicContact CH2-CG 3.81Å; W131-K139 HydrophobicContact CZ2-CB 4.32Å; W131-K139 HydrophobicContact CZ2-CD 4.14Å; W131-K139 HydrophobicContact CZ2-CG 3.91Å; W131-K139 HydrophobicContact CZ3-CB 4.47Å; W131-K139 HydrophobicContact CZ3-CG 4.03Å; W131-K139 WeakPolarHBondContact O-CE 3.42Å; W131-K139 PolarHBondContact O-NZ 3.37Å; N132-K139 PolarHBondContact O-NZ 3.46Å; L134-K139 HydrophobicContact CB-CG 3.97Å; L134-K139 HydrophobicContact CD1-CG 4.49Å; L134-K139 WeakPolarHBondContact O-CE 3.42Å; L134-K139 PolarHBondContact O-NZ 3.41Å; S135-K139 WeakPolarHBondContact O-CG 3.46Å; S135-K139 PolarHBondContact O-N 2.94Å; D136-K139 PolarHBondContact O-N 2.92Å; K139-Y142 PolarHBondContact O-N 3.27Å; K139-Y142 VanDerWaalsContact O-N 3.13Å; K139-N143 PolarHBondContact O-N 2.94Å
140Q97.1Very high96.1Very high96 Ų9678.9 Ų78.945%0.44942%0.42SS..Hα-helixtrans-56.5-45.1-173.5-153.970.5-60.800115.5D136 G137 E138 Y142 N143 N144D136-Q140 WeakPolarHBondContact O-CB 3.35Å; D136-Q140 PolarHBondContact O-N 2.85Å; G137-Q140 WeakPolarHBondContact O-CB 3.4Å; G137-Q140 PolarHBondContact O-N 2.72Å; E138-Q140 VanDerWaalsContact C-N 3.3Å; Q140-Y142 VanDerWaalsContact C-N 3.3Å; Q140-Y142 PolarHBondContact O-N 3.05Å; Q140-N143 PolarHBondContact O-N 3.26Å; Q140-N144 VanDerWaalsContact O-CB 3.31Å; Q140-N144 WeakPolarHBondContact O-CB 3.25Å; Q140-N144 PolarHBondContact O-N 3Å; Q140-N144 PolarHBondContact O-ND2 3.36Å
141P97Very high96.1Very high76 Ų7682.3 Ų82.349%0.49444%0.435SS..Hα-helixtrans-57.6-40.8174.920.5-33.9000112.8G137 E138 N144 K145G137-P141 WeakPolarHBondContact O-CD 3.29Å; E138-P141 VanDerWaalsContact O-CD 3.27Å; E138-P141 WeakPolarHBondContact O-CD 3.39Å; E138-P141 VanDerWaalsContact O-CG 3.25Å; E138-P141 WeakPolarHBondContact O-CG 3.4Å; P141-N144 PolarHBondContact O-N 2.94Å; P141-K145 WeakPolarHBondContact O-CB 3.49Å; P141-K145 PolarHBondContact O-N 3.19Å
142Y97Very high96Very high37 Ų3787.2 Ų87.215%0.14546%0.458CS..Hα-helixtrans-68.8-41.6177.4-59.9-75.7000112.1L102 F103 E106 F107 W131 E138 K139 Q140 K145 A146L102-Y142 HydrophobicContact CB-CD1 4.11Å; F103-Y142 HydrophobicContact CB-CD1 4.06Å; F103-Y142 HydrophobicContact CB-CD2 4.5Å; F103-Y142 HydrophobicContact CB-CE1 4.21Å; F103-Y142 HydrophobicContact CB-CG 4.23Å; F103-Y142 HydrophobicContact CD2-CE1 4.47Å; F103-Y142 AromaticContact CD2-CE2 4Å; F103-Y142 HydrophobicContact CD2-CE2 4Å; F103-Y142 AromaticContact CD2-CZ 4Å; E106-Y142 WeakPolarHBondContact OE2-CE1 3.44Å; E106-Y142 PolarHBondContact OE2-OH 2.97Å; F107-Y142 WeakPolarHBondContact CE2-OH 3.4Å; W131-Y142 HydrophobicContact CZ3-CD2 4Å; W131-Y142 HydrophobicContact CZ3-CG 4.15Å; E138-Y142 WeakPolarHBondContact O-CD2 3.41Å; K139-Y142 PolarHBondContact O-N 3.27Å; K139-Y142 VanDerWaalsContact O-N 3.13Å; Q140-Y142 VanDerWaalsContact C-N 3.3Å; Q140-Y142 PolarHBondContact O-N 3.05Å; Y142-K145 PolarHBondContact O-N 2.88Å; Y142-A146 WeakPolarHBondContact O-CB 3.24Å; Y142-A146 PolarHBondContact O-N 3.27Å
143N95.9Very high95.9Very high65 Ų6584 Ų8435%0.34844%0.437SS..Hα-helixtrans-63.8-42175.5-70.8-24.4000111.7K139 Q140 A146 A147K139-N143 PolarHBondContact O-N 2.94Å; Q140-N143 PolarHBondContact O-N 3.26Å; N143-A146 PolarHBondContact O-N 3.27Å; N143-A147 WeakPolarHBondContact O-CB 2.94Å; N143-A147 PolarHBondContact O-N 2.69Å
144N97.3Very high95.7Very high88 Ų8882.4 Ų82.447%0.47143%0.425SS..Hα-helixtrans-65.2-43176.3-73.6-17.1000111.8Q140 P141 A147 K148Q140-N144 VanDerWaalsContact O-CB 3.31Å; Q140-N144 WeakPolarHBondContact O-CB 3.25Å; Q140-N144 PolarHBondContact O-N 3Å; Q140-N144 PolarHBondContact O-ND2 3.36Å; P141-N144 PolarHBondContact O-N 2.94Å; N144-A147 PolarHBondContact O-N 3.28Å; N144-K148 WeakPolarHBondContact O-CG 3.46Å; N144-K148 PolarHBondContact O-N 3.49Å
145K95.9Very high95.6Very high128 Ų12887.7 Ų87.756%0.55745%0.447SS*.Hα-helixtrans-62.5-44175-172.2173.5-179.6178.50110.8L102 P141 Y142 A147 K148 L149L102-K145 HydrophobicContact CD1-CB 3.87Å; L102-K145 HydrophobicContact CD1-CD 4.12Å; L102-K145 HydrophobicContact CD1-CG 3.82Å; L102-K145 HydrophobicContact CD2-CD 4.43Å; P141-K145 WeakPolarHBondContact O-CB 3.49Å; P141-K145 PolarHBondContact O-N 3.19Å; Y142-K145 PolarHBondContact O-N 2.88Å; K145-A147 VanDerWaalsContact C-N 3.35Å; K145-A147 PolarHBondContact O-N 3.19Å; K145-K148 PolarHBondContact O-N 2.97Å; K145-L149 WeakPolarHBondContact O-CG 3.46Å; K145-L149 PolarHBondContact O-N 2.95Å; K145-L149 VanDerWaalsContact O-N 3.07Å
146A96.5Very high95.4Very high13 Ų1388.1 Ų88.111%0.10744%0.444CS..Hα-helixtrans-62.9-39.1174.900000112.5L102 Y142 N143 L149 K150L102-A146 HydrophobicContact CD1-CB 3.9Å; Y142-A146 WeakPolarHBondContact O-CB 3.24Å; Y142-A146 PolarHBondContact O-N 3.27Å; N143-A146 PolarHBondContact O-N 3.27Å; A146-L149 PolarHBondContact O-N 3.07Å; A146-K150 VanDerWaalsContact O-CB 3.31Å; A146-K150 WeakPolarHBondContact O-CB 3.39Å; A146-K150 PolarHBondContact O-N 3.01Å
147A96.5Very high95.2Very high55 Ų5582.9 Ų82.946%0.45542%0.417SS..Hα-helixtrans-63-45.117700000111.9N143 N144 K145 L149 K150 E151N143-A147 WeakPolarHBondContact O-CB 2.94Å; N143-A147 PolarHBondContact O-N 2.69Å; N144-A147 PolarHBondContact O-N 3.28Å; K145-A147 VanDerWaalsContact C-N 3.35Å; K145-A147 PolarHBondContact O-N 3.19Å; A147-L149 PolarHBondContact O-N 3.46Å; A147-K150 WeakPolarHBondContact O-CB 3.25Å; A147-K150 PolarHBondContact O-N 3.23Å; A147-E151 PolarHBondContact O-N 3.15Å
148K96.8Very high94.9Very high153 Ų15382.9 Ų82.967%0.66541%0.412SS*.Hα-helixtrans-61-42.9174.8-70.5177.9-179.6-179.30112.2N144 K145 K150 E151 K152N144-K148 WeakPolarHBondContact O-CG 3.46Å; N144-K148 PolarHBondContact O-N 3.49Å; K145-K148 PolarHBondContact O-N 2.97Å; K148-K150 VanDerWaalsContact C-N 3.31Å; K148-K150 PolarHBondContact O-N 3.35Å; K148-E151 PolarHBondContact O-N 3.18Å; K148-K152 PolarHBondContact O-N 3.1Å; K148-K152 VanDerWaalsContact O-N 3.15Å
149L95.8Very high94.7Very high60 Ų6081.5 Ų81.531%0.31441%0.408SS..Hα-helixtrans-65.8-35.9176.1-68.6172.4000111.9P96 P97 L102 K145 A146 A147 K152 Y153P96-L149 HydrophobicContact CB-CB 3.64Å; P96-L149 HydrophobicContact CG-CB 4.36Å; P97-L149 HydrophobicContact CG-CD1 4.03Å; L102-L149 HydrophobicContact CD1-CD1 4.27Å; L102-L149 HydrophobicContact CD2-CD1 4.12Å; K145-L149 WeakPolarHBondContact O-CG 3.46Å; K145-L149 PolarHBondContact O-N 2.95Å; K145-L149 VanDerWaalsContact O-N 3.07Å; A146-L149 PolarHBondContact O-N 3.07Å; A147-L149 PolarHBondContact O-N 3.46Å; L149-K152 PolarHBondContact O-N 2.83Å; L149-Y153 WeakPolarHBondContact O-CB 3.29Å; L149-Y153 PolarHBondContact O-N 3.41Å
150K95.2Very high94.2Very high116 Ų11683.5 Ų83.550%0.50442%0.415SS..Hα-helixtrans-64.2-44.3175-172.4-175.2174.6-158.20112P96 A146 A147 K148 K152 Y153 E154P96-K150 HydrophobicContact CG-CB 4.33Å; A146-K150 VanDerWaalsContact O-CB 3.31Å; A146-K150 WeakPolarHBondContact O-CB 3.39Å; A146-K150 PolarHBondContact O-N 3.01Å; A147-K150 WeakPolarHBondContact O-CB 3.25Å; A147-K150 PolarHBondContact O-N 3.23Å; K148-K150 VanDerWaalsContact C-N 3.31Å; K148-K150 PolarHBondContact O-N 3.35Å; K150-K152 PolarHBondContact O-N 3.06Å; K150-Y153 WeakPolarHBondContact O-CB 3.36Å; K150-Y153 PolarHBondContact O-N 2.87Å; K150-E154 WeakPolarHBondContact CE-OE1 3.47Å; K150-E154 IonicContact NZ-OE1 2.75Å; K150-E154 WeakPolarHBondContact O-CG 3.33Å; K150-E154 PolarHBondContact O-N 3.47Å
151E95.6Very high93.6Very high138 Ų13885.4 Ų85.465%0.64542%0.422SS*.Hα-helixtrans-59.4-46175.7-173.7-177174.700111.5A147 K148 Y153 E154 K155A147-E151 PolarHBondContact O-N 3.15Å; K148-E151 PolarHBondContact O-N 3.18Å; E151-Y153 PolarHBondContact O-N 3.46Å; E151-E154 PolarHBondContact O-N 3.22Å; E151-K155 PolarHBondContact O-N 3.17Å; E151-K155 VanDerWaalsContact O-N 3.12Å
152K94.2Very high93.1Very high137 Ų13785.2 Ų85.260%0.59642%0.422SS*.Hα-helixtrans-58.7-46.5174.1-176.3177.3178.5178.90111.8K148 L149 K150 E154 K155 D156K148-K152 PolarHBondContact O-N 3.1Å; K148-K152 VanDerWaalsContact O-N 3.15Å; L149-K152 PolarHBondContact O-N 2.83Å; K150-K152 PolarHBondContact O-N 3.06Å; K152-E154 VanDerWaalsContact C-N 3.33Å; K152-E154 PolarHBondContact O-N 2.97Å; K152-K155 WeakPolarHBondContact O-CB 3.14Å; K152-K155 PolarHBondContact O-N 3.02Å; K152-D156 VanDerWaalsContact O-CG 3.3Å; K152-D156 PolarHBondContact O-N 3.37Å
153Y93.2Very high92.2Very high48 Ų4889.8 Ų89.819%0.18844%0.443CS..Hα-helixtrans-61.6-39.2177.3169.6-99.8000113P93 K94 R95 P96 L149 K150 E151 K155 D156 V157P93-Y153 HydrophobicContact CB-CD2 3.89Å; P93-Y153 HydrophobicContact CB-CE2 3.76Å; P93-Y153 WeakPolarHBondContact O-CE2 3.38Å; K94-Y153 WeakPolarHBondContact O-CD2 3.47Å; K94-Y153 WeakPolarHBondContact O-CE2 3.4Å; R95-Y153 HydrophobicContact CB-CE2 4.47Å; R95-Y153 HydrophobicContact CG-CE1 4.16Å; R95-Y153 HydrophobicContact CG-CE2 4.11Å; R95-Y153 WeakPolarHBondContact CG-OH 3.35Å; P96-Y153 VanDerWaalsContact CD-CG 3.43Å; P96-Y153 HydrophobicContact CG-CG 4.2Å; L149-Y153 WeakPolarHBondContact O-CB 3.29Å; L149-Y153 PolarHBondContact O-N 3.41Å; K150-Y153 WeakPolarHBondContact O-CB 3.36Å; K150-Y153 PolarHBondContact O-N 2.87Å; E151-Y153 PolarHBondContact O-N 3.46Å; Y153-K155 VanDerWaalsContact C-N 3.31Å; Y153-K155 PolarHBondContact O-N 2.92Å; Y153-D156 PolarHBondContact O-N 2.71Å; Y153-V157 HydrophobicContact CD1-CG2 4.16Å; Y153-V157 HydrophobicContact CD2-CG2 4.01Å; Y153-V157 HydrophobicContact CE1-CG2 3.7Å; Y153-V157 HydrophobicContact CE2-CG2 3.55Å; Y153-V157 HydrophobicContact CG-CG2 4.31Å; Y153-V157 WeakPolarHBondContact O-CB 3.41Å; Y153-V157 VanDerWaalsContact O-CG2 3.24Å; Y153-V157 WeakPolarHBondContact O-CG2 3.3Å; Y153-V157 PolarHBondContact O-N 3.35Å
154E93.1Very high90.6Very high107 Ų10789 Ų8950%0.545%0.45SS..Hα-helixtrans-63.5-39.2177.4-75.1174.9175.700111.4K150 E151 K152 V157 A158K150-E154 WeakPolarHBondContact CE-OE1 3.47Å; K150-E154 IonicContact NZ-OE1 2.75Å; K150-E154 WeakPolarHBondContact O-CG 3.33Å; K150-E154 PolarHBondContact O-N 3.47Å; E151-E154 PolarHBondContact O-N 3.22Å; K152-E154 VanDerWaalsContact C-N 3.33Å; K152-E154 PolarHBondContact O-N 2.97Å; E154-V157 PolarHBondContact O-N 3.42Å; E154-A158 PolarHBondContact O-N 2.94Å
155K93.6Very high88.5Confident146 Ų14694.1 Ų94.164%0.63547%0.468SS*.Hα-helixtrans-63.3-50.1171.4-175172.4-177.7163.20112E151 K152 Y153 V157 A158 D159E151-K155 PolarHBondContact O-N 3.17Å; E151-K155 VanDerWaalsContact O-N 3.12Å; K152-K155 WeakPolarHBondContact O-CB 3.14Å; K152-K155 PolarHBondContact O-N 3.02Å; Y153-K155 VanDerWaalsContact C-N 3.31Å; Y153-K155 PolarHBondContact O-N 2.92Å; K155-V157 VanDerWaalsContact C-N 3.26Å; K155-V157 PolarHBondContact O-N 3.45Å; K155-A158 WeakPolarHBondContact O-CB 3.48Å; K155-A158 PolarHBondContact O-N 3.38Å; K155-D159 PolarHBondContact O-N 3.32Å
156D90.8Very high86.1Confident69 Ų6996.5 Ų96.537%0.36948%0.479SS..Hα-helixtrans-59.4-38.1178.7-66.8-19.5000111.7P93 K152 Y153 D159 Y160P93-D156 HydrophobicContact CB-CB 3.99Å; P93-D156 HydrophobicContact CG-CB 3.81Å; P93-D156 WeakPolarHBondContact CG-O 3.47Å; K152-D156 VanDerWaalsContact O-CG 3.3Å; K152-D156 PolarHBondContact O-N 3.37Å; Y153-D156 PolarHBondContact O-N 2.71Å; D156-D159 PolarHBondContact O-N 3.31Å; D156-Y160 WeakPolarHBondContact O-CB 3.41Å; D156-Y160 PolarHBondContact O-N 2.93Å
157V90Very high83.6Confident24 Ų2499.3 Ų99.315%0.14549%0.492CS..Hα-helixtrans-68.2-37.3175.8168.10000111.6P93 Y153 E154 K155 K161P93-V157 HydrophobicContact CB-CG2 3.91Å; P93-V157 HydrophobicContact CG-CG2 4.04Å; Y153-V157 HydrophobicContact CD1-CG2 4.16Å; Y153-V157 HydrophobicContact CD2-CG2 4.01Å; Y153-V157 HydrophobicContact CE1-CG2 3.7Å; Y153-V157 HydrophobicContact CE2-CG2 3.55Å; Y153-V157 HydrophobicContact CG-CG2 4.31Å; Y153-V157 WeakPolarHBondContact O-CB 3.41Å; Y153-V157 VanDerWaalsContact O-CG2 3.24Å; Y153-V157 WeakPolarHBondContact O-CG2 3.3Å; Y153-V157 PolarHBondContact O-N 3.35Å; E154-V157 PolarHBondContact O-N 3.42Å; K155-V157 VanDerWaalsContact C-N 3.26Å; K155-V157 PolarHBondContact O-N 3.45Å; V157-K161 HydrophobicContact CG1-CD 3.94Å; V157-K161 VanDerWaalsContact CG1-CE 3.49Å; V157-K161 HydrophobicContact CG1-CG 4.37Å; V157-K161 VanDerWaalsContact O-CB 3.32Å; V157-K161 WeakPolarHBondContact O-CB 3.47Å; V157-K161 WeakPolarHBondContact O-CG 3.34Å; V157-K161 PolarHBondContact O-N 3.12Å
158A90.5Very high81Confident57 Ų57100.9 Ų100.947%0.47151%0.513SS..Hα-helixtrans-64.5-46174.900000111E154 K155 K161 S162E154-A158 PolarHBondContact O-N 2.94Å; K155-A158 WeakPolarHBondContact O-CB 3.48Å; K155-A158 PolarHBondContact O-N 3.38Å; A158-K161 PolarHBondContact O-N 2.7Å; A158-S162 PolarHBondContact O-N 3.14Å; A158-S162 PolarHBondContact O-OG 2.92Å
159D89.6Confident78.6Confident73 Ų7398 Ų9839%0.3952%0.518SS..Hα-helixtrans-64.6-40.5176.4-70.6-37.7000112.4K155 D156 S162 K163K155-D159 PolarHBondContact O-N 3.32Å; D156-D159 PolarHBondContact O-N 3.31Å; D159-S162 PolarHBondContact O-N 3.33Å; D159-S162 PolarHBondContact O-OG 3.33Å; D159-K163 WeakPolarHBondContact O-CB 3.41Å; D159-K163 WeakPolarHBondContact O-CG 3.35Å; D159-K163 PolarHBondContact O-N 3.36Å
160Y86.4Confident75.9Confident68 Ų68103.1 Ų103.127%0.26754%0.537SS..Hα-helixtrans-66.4-39.1175170.5-96.5000111.8D89 N91 A92 P93 D156 G164D89-Y160 WeakPolarHBondContact CB-OH 3.44Å; D89-Y160 WeakPolarHBondContact OD2-CE2 3.46Å; D89-Y160 PolarHBondContact OD2-OH 3Å; N91-Y160 HydrophobicContact CB-CE2 4.18Å; N91-Y160 WeakPolarHBondContact O-CD2 3.37Å; A92-Y160 HydrophobicContact CB-CD1 4.42Å; A92-Y160 HydrophobicContact CB-CE1 3.87Å; A92-Y160 HydrophobicContact CB-CE2 4.25Å; P93-Y160 VanDerWaalsContact CD-CG 3.45Å; P93-Y160 HydrophobicContact CG-CG 4.29Å; D156-Y160 WeakPolarHBondContact O-CB 3.41Å; D156-Y160 PolarHBondContact O-N 2.93Å; Y160-G164 WeakPolarHBondContact O-CA 3.3Å; Y160-G164 PolarHBondContact O-N 2.89Å
161K84.8Confident73.6Confident136 Ų13699.9 Ų99.959%0.59154%0.537SS*.Hα-helixtrans-68.9-32.8176.4-77.4171.5179.9174.90112.8V157 A158V157-K161 HydrophobicContact CG1-CD 3.94Å; V157-K161 VanDerWaalsContact CG1-CE 3.49Å; V157-K161 HydrophobicContact CG1-CG 4.37Å; V157-K161 VanDerWaalsContact O-CB 3.32Å; V157-K161 WeakPolarHBondContact O-CB 3.47Å; V157-K161 WeakPolarHBondContact O-CG 3.34Å; V157-K161 PolarHBondContact O-N 3.12Å; A158-K161 PolarHBondContact O-N 2.7Å
162S85.6Confident71.1Confident72 Ų7297.3 Ų97.350%0.50354%0.539SS..Hα-helixtrans-72.7-44.117665.30000111.1A158 D159A158-S162 PolarHBondContact O-N 3.14Å; A158-S162 PolarHBondContact O-OG 2.92Å; D159-S162 PolarHBondContact O-N 3.33Å; D159-S162 PolarHBondContact O-OG 3.33Å
163K78Confident68.6Low132 Ų13294.6 Ų94.657%0.57454%0.543SS*.Hα-helixtrans-70.1-37175.2-69.8178-179.3175.50113.6D159 K165 F166 D167D159-K163 WeakPolarHBondContact O-CB 3.41Å; D159-K163 WeakPolarHBondContact O-CG 3.35Å; D159-K163 PolarHBondContact O-N 3.36Å; K163-K165 PolarHBondContact O-N 2.92Å; K163-K165 VanDerWaalsContact O-N 3.16Å; K163-F166 CarbonylContact O-C 3.08Å; K163-F166 WeakPolarHBondContact O-CA 3.47Å; K163-F166 WeakPolarHBondContact O-CB 3.16Å; K163-F166 PolarHBondContact O-N 3.18Å; K163-D167 PolarHBondContact O-N 2.99Å
164G62.5Low66.3Low48 Ų4896 Ų9650%0.49556%0.556SS.*THydrogen-bonded Turntrans-65.5-16.8179.200000114.1Y160 F166Y160-G164 WeakPolarHBondContact O-CA 3.3Å; Y160-G164 PolarHBondContact O-N 2.89Å; G164-F166 VanDerWaalsContact C-N 3.26Å
165K53.4Low64.1Low196 Ų19698.7 Ų98.785%0.85257%0.567SS**THydrogen-bonded Turntrans-76.5-12.6166.9-72.3-177.5178.5-177.10113.2K163K163-K165 PolarHBondContact O-N 2.92Å; K163-K165 VanDerWaalsContact O-N 3.16Å
166F46.8Very low61.8Low179 Ų17995 Ų9579%0.78556%0.563SS**THydrogen-bonded Turntrans-117.8-33.5-174.6-158.8-103.3000113.4K163 G164K163-F166 CarbonylContact O-C 3.08Å; K163-F166 WeakPolarHBondContact O-CA 3.47Å; K163-F166 WeakPolarHBondContact O-CB 3.16Å; K163-F166 PolarHBondContact O-N 3.18Å; G164-F166 VanDerWaalsContact C-N 3.26Å
167D42.8Very low59.8Low72 Ų7294.8 Ų94.839%0.38557%0.571SS.*  trans-109.753.2-165.4-70.8-69.5000114.6K163 A169K163-D167 PolarHBondContact O-N 2.99Å; D167-A169 PolarHBondContact O-N 2.96Å
168G43Very low57.8Low88 Ų88101.4 Ų101.491%0.90759%0.593SS**THydrogen-bonded Turntrans-61.63.2160.300000114.6
169A46.3Very low55.8Low91 Ų91104.4 Ų104.475%0.75260%0.596SS**THydrogen-bonded Turntrans-134.8-4.4-16700000117.8D167D167-A169 PolarHBondContact O-N 2.96Å
170K38.7Very low53.7Low168 Ų168107.8 Ų107.873%0.7361%0.607SS**  trans-125.421.7-174-76.9-170.8177.7174.30117.1A172K170-A172 PolarHBondContact O-N 3.44Å
171G45.8Very low52Low48 Ų48109 Ų10950%0.49562%0.621SS.*THydrogen-bonded Turntrans-70.413.5179.200000117.7
172A44.4Very low50.2Low84 Ų84108.1 Ų108.169%0.69462%0.619SS**THydrogen-bonded Turntrans-93.7-31.1-178.600000114.1K170K170-A172 PolarHBondContact O-N 3.44Å
173A42.1Very low48.1Very low81 Ų81108.9 Ų108.967%0.66961%0.614SS**SBendtrans-76.7-35.3-168.900000114K175 A176A173-K175 PolarHBondContact O-N 3.44Å; A173-A176 PolarHBondContact O-N 3.15Å
174T44.2Very low46.3Very low77 Ų77108.7 Ų108.747%0.47262%0.616SS.*Hα-helixtrans-75.4-14.9-177.8-39.10000113.1A176 A177 R178T174-A176 VanDerWaalsContact C-N 3.25Å; T174-A176 PolarHBondContact O-N 3.5Å; T174-A177 PolarHBondContact O-N 2.87Å; T174-R178 HydrophobicContact CG2-CG 4.44Å; T174-R178 PolarHBondContact O-N 3.45Å
175K46.9Very low45.1Very low164 Ų164111.7 Ų111.771%0.71362%0.62SS**Hα-helixtrans-64.7-30.5175.7-155-176.1-174.8-165.40111.9A173 K179A173-K175 PolarHBondContact O-N 3.44Å; K175-K179 WeakPolarHBondContact O-CB 3.44Å; K175-K179 PolarHBondContact O-N 3.37Å
176A46.1Very low44.6Very low68 Ų68109 Ų10956%0.56261%0.611SS**Hα-helixtrans-74.8-36.7178.300000112.7A173 T174A173-A176 PolarHBondContact O-N 3.15Å; T174-A176 VanDerWaalsContact C-N 3.25Å; T174-A176 PolarHBondContact O-N 3.5Å
177A47.3Very low44.1Very low64 Ų64106.5 Ų106.553%0.52960%0.601SS.*Hα-helixtrans-76.7-30.8-177.900000113.1T174T174-A177 PolarHBondContact O-N 2.87Å
178R49.2Very low43.7Very low164 Ų164109.8 Ų109.862%0.61962%0.615SS**Hα-helixtrans-85.1-33.5-179.5-69.3-176.9161.1-156.8-6.6113.6T174 K180 V181 E182T174-R178 HydrophobicContact CG2-CG 4.44Å; T174-R178 PolarHBondContact O-N 3.45Å; R178-K180 PolarHBondContact O-N 2.89Å; R178-V181 PolarHBondContact O-N 3.26Å; R178-E182 PolarHBondContact O-N 3.43Å; R178-E182 VanDerWaalsContact O-N 3.09Å
179K47.9Very low43.5Very low120 Ų120111.8 Ų111.852%0.52260%0.6SS.*Hα-helixtrans-63.9-34.4174.1-159.9174.5178.1-72.50110.9K175 V181 E182 E183K175-K179 WeakPolarHBondContact O-CB 3.44Å; K175-K179 PolarHBondContact O-N 3.37Å; K179-V181 PolarHBondContact O-N 2.85Å; K179-E182 PolarHBondContact O-N 2.75Å; K179-E183 IonicContact NZ-OE1 3.42Å; K179-E183 IonicContact NZ-OE2 3.29Å; K179-E183 PolarHBondContact NZ-OE2 3.41Å; K179-E183 WeakPolarHBondContact O-CB 3.37Å; K179-E183 PolarHBondContact O-N 3.41Å
180K46.1Very low43Very low144 Ų144114.6 Ų114.663%0.62660%0.598SS**Hα-helixtrans-61.7-38.7173.6-76.4-168.1171.6-153.30113.8R178 E184R178-K180 PolarHBondContact O-N 2.89Å; K180-E184 WeakPolarHBondContact O-CB 3.49Å; K180-E184 VanDerWaalsContact O-CG 3.25Å; K180-E184 WeakPolarHBondContact O-CG 3.49Å; K180-E184 PolarHBondContact O-N 3.06Å
181V49.8Very low42.7Very low92 Ų92112.6 Ų112.656%0.55860%0.595SS**Hα-helixtrans-76.7-33.8179.3-178.20000111.9R178 K179 D185R178-V181 PolarHBondContact O-N 3.26Å; K179-V181 PolarHBondContact O-N 2.85Å; V181-D185 WeakPolarHBondContact O-CB 3.41Å; V181-D185 PolarHBondContact O-N 2.86Å; V181-D185 VanDerWaalsContact O-N 3.13Å
182E46.6Very low42.4Very low118 Ų118117.1 Ų117.155%0.55160%0.604SS**Hα-helixtrans-73.2-31.7171.9-89.5176.1144.100112R178 K179 E186R178-E182 PolarHBondContact O-N 3.43Å; R178-E182 VanDerWaalsContact O-N 3.09Å; K179-E182 PolarHBondContact O-N 2.75Å; E182-E186 WeakPolarHBondContact O-CB 3.49Å; E182-E186 WeakPolarHBondContact O-CG 3.46Å; E182-E186 PolarHBondContact O-N 3.28Å
183E41.4Very low42Very low88 Ų88120.2 Ų120.241%0.41160%0.604SS.*Hα-helixtrans-71.1-38.2172.7-121.8164.3131.800111.4K179 E187K179-E183 IonicContact NZ-OE1 3.42Å; K179-E183 IonicContact NZ-OE2 3.29Å; K179-E183 PolarHBondContact NZ-OE2 3.41Å; K179-E183 WeakPolarHBondContact O-CB 3.37Å; K179-E183 PolarHBondContact O-N 3.41Å; E183-E187 WeakPolarHBondContact O-CB 3.15Å; E183-E187 WeakPolarHBondContact O-CG 3.32Å; E183-E187 PolarHBondContact O-N 2.94Å
184E42.1Very low41.7Very low129 Ų129124 Ų12460%0.60361%0.607SS**Hα-helixtrans-68.7-32.1175.6-76.1172161.500112.3K180 E188K180-E184 WeakPolarHBondContact O-CB 3.49Å; K180-E184 VanDerWaalsContact O-CG 3.25Å; K180-E184 WeakPolarHBondContact O-CG 3.49Å; K180-E184 PolarHBondContact O-N 3.06Å; E184-E188 PolarHBondContact O-N 3.37Å
185D35.5Very low41.4Very low111 Ų111128.7 Ų128.759%0.59462%0.624SS**Hα-helixtrans-81.7-29.1177.1-155.4-111.6000111.8V181V181-D185 WeakPolarHBondContact O-CB 3.41Å; V181-D185 PolarHBondContact O-N 2.86Å; V181-D185 VanDerWaalsContact O-N 3.13Å
186E43.8Very low40.9Very low140 Ų140128 Ų12865%0.65463%0.628SS**Hα-helixtrans-78.2-33.9172.3-76.8-178.8167.300112.4E182 E189 E190E182-E186 WeakPolarHBondContact O-CB 3.49Å; E182-E186 WeakPolarHBondContact O-CG 3.46Å; E182-E186 PolarHBondContact O-N 3.28Å; E186-E189 PolarHBondContact O-N 3.2Å; E186-E190 PolarHBondContact O-N 3.1Å
187E36.4Very low40.7Very low125 Ų125133.2 Ų133.258%0.58464%0.641SS**Hα-helixtrans-68.2-33.1172.6-79.4-174.417400111.8E183 E190 D191E183-E187 WeakPolarHBondContact O-CB 3.15Å; E183-E187 WeakPolarHBondContact O-CG 3.32Å; E183-E187 PolarHBondContact O-N 2.94Å; E187-E190 PolarHBondContact O-N 3.19Å; E187-D191 PolarHBondContact O-N 3.3Å
188E34.2Very low40.1Very low142 Ų142137.8 Ų137.866%0.66466%0.656SS**Hα-helixtrans-70.2-30177.2-136.9176.6-161.900112.6E184 E192E184-E188 PolarHBondContact O-N 3.37Å; E188-E192 PolarHBondContact O-N 3.48Å
189E38.5Very low39.6Very low130 Ų130137.4 Ų137.461%0.60767%0.667SS**Hα-helixtrans-83.7-23.6173.9-73.7-130.4169.600113.7E186 E193E186-E189 PolarHBondContact O-N 3.2Å; E189-E193 PolarHBondContact O-N 3.44Å
190E35.4Very low39.1Very low149 Ų149139.2 Ų139.270%0.69668%0.682SS**Hα-helixtrans-74.9-36.1172.1-97.3-174.8173.700112.3E186 E187 E192 E193 E194E186-E190 PolarHBondContact O-N 3.1Å; E187-E190 PolarHBondContact O-N 3.19Å; E190-E192 VanDerWaalsContact C-N 3.34Å; E190-E193 PolarHBondContact O-N 3.46Å; E190-E194 PolarHBondContact O-N 3.49Å
191D32.9Very low38.9Very low127 Ų127140.6 Ų140.668%0.67970%0.696SS**Hα-helixtrans-68.7-30.6174.2-98.5-31.3000112.2E187E187-D191 PolarHBondContact O-N 3.3Å
192E39.1Very low39.1Very low143 Ų143148.7 Ų148.767%0.66873%0.728SS**Hα-helixtrans-74.1-25.4174-84.1-167.7172.800113.3E188 E190E188-E192 PolarHBondContact O-N 3.48Å; E190-E192 VanDerWaalsContact C-N 3.34Å
193E36Very low38.7Very low149 Ų149150.3 Ų150.370%0.69674%0.737SS**Hα-helixtrans-83.5-21.3177.2-73-157.9165.600113.4E189 E190E189-E193 PolarHBondContact O-N 3.44Å; E190-E193 PolarHBondContact O-N 3.46Å
194E35.7Very low38.6Very low159 Ų159153.5 Ų153.574%0.74375%0.754SS**Hα-helixtrans-86-22.3177.1-75.1-116.1157.400114.2E190 D196E190-E194 PolarHBondContact O-N 3.49Å; E194-D196 VanDerWaalsContact C-N 3.29Å; E194-D196 PolarHBondContact O-N 2.79Å
195E38.2Very low38.4Very low177 Ų177154.9 Ų154.983%0.82776%0.763SS**THydrogen-bonded Turntrans-74.3-15.6176-78.1-162.3164.900113.9
196D37Very low38.6Very low149 Ų149157.5 Ų157.580%0.79777%0.772SS**THydrogen-bonded Turntrans-91.2-2.2-177.3-90.4-25.7000114.3E194E194-D196 VanDerWaalsContact C-N 3.29Å; E194-D196 PolarHBondContact O-N 2.79Å
197E40.8Very low38.2Very low178 Ų178158.6 Ų158.683%0.83278%0.78SS**SBendtrans-1021.7-179.7-76.9-160.8166.200115.9
198D36.2Very low38.3Very low159 Ų159160.8 Ų160.885%0.8579%0.793SS**SBendtrans-112.425.1-175-97.5-25.6000115.9
199D38.8Very low38.6Very low157 Ų157162.1 Ų162.184%0.8480%0.802SS**SBendtrans-13960.6174.3-154.3-1.5000113.4
200D37.2Very low38.7Very low158 Ų158164.6 Ų164.685%0.84582%0.817SS**  trans-169.280.6153.5-133.2-50.7000112.3
201D41.2Very low38.9Very low172 Ų172165.9 Ų165.992%0.9283%0.827SS**  trans-154.383.5149.5-124.8-34.2000108.6
202E54.2Low39.5Very low263 Ų263169.5 Ų169.5100%1.22984%0.841SS**  trans-89.80166.9-158.9-179.9-154.600111.1

Retrieved 202 of 202 residues in 142.1 ms (Link to these results)

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