G4LWT1_SCHMA Loading...

Oligomycin sensitivity conferral protein

AlphaFold DB , UniProt , Accession G4LWT1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 205 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
1M42.1Very low53.3Low235 Ų235159.9 Ų159.9100%1.15883%0.834SS**  092.20-85.2-155.6-112.300109
2F46.7Very low53.4Low210 Ų210154.5 Ų154.592%0.92182%0.82SS**  trans-122.989.4169.7-81.9-79.9000107.4V4F2-V4 PolarHBondContact O-N 3.28Å
3G50.7Low53.3Low75 Ų75150.5 Ų150.577%0.77381%0.806SS**  trans-65.3122.317400000109.3L5G3-L5 PolarHBondContact O-N 3.09Å
4V58Low53.2Low129 Ų129148.4 Ų148.478%0.78280%0.804SS**  trans-67.598.1177.1178.80000108.3F2 V6F2-V4 PolarHBondContact O-N 3.28Å; V4-V6 HydrophobicContact CG1-CG2 4.33Å; V4-V6 PolarHBondContact O-N 3.44Å
5L54.1Low53.2Low151 Ų151146.7 Ų146.779%0.79180%0.8SS**  trans-67.594.6168.7-172.776.2000107.9G3 R7G3-L5 PolarHBondContact O-N 3.09Å; L5-R7 PolarHBondContact O-N 3.41Å
6V60.5Low53.1Low114 Ų114145.8 Ų145.869%0.69179%0.793SS**  trans-63.4102.1174.5177.10000108.1V4 R8V4-V6 HydrophobicContact CG1-CG2 4.33Å; V4-V6 PolarHBondContact O-N 3.44Å; V6-R8 PolarHBondContact O-N 3.19Å
7R59.6Low53.4Low206 Ų206141.8 Ų141.878%0.77779%0.785SS**  trans-62.7107.6171-72.1-178.7175.9178.4-1.6108L5 L9L5-R7 PolarHBondContact O-N 3.41Å; R7-L9 PolarHBondContact O-N 3.17Å
8R55.3Low53.9Low247 Ų247140.8 Ų140.893%0.93278%0.777SS**  trans-70.381.1163.6-63.9-166-178.3-119.12.1107.9V6V6-R8 PolarHBondContact O-N 3.19Å
9L51.1Low55Low152 Ų152137.7 Ų137.780%0.79676%0.759SS**  trans-70.2148.8162.9-77.9163.5000108.3R7R7-L9 PolarHBondContact O-N 3.17Å
10S57.8Low55.9Low99 Ų99139.3 Ų139.369%0.69276%0.76SS**  trans92.688.1174.1-150.70000114.6S12S10-S12 PolarHBondContact O-N 2.99Å
11T50.8Low57Low141 Ų141133.8 Ų133.887%0.86573%0.731SS**  trans-40.171.6137.751.30000111.5T13T11-T13 VanDerWaalsContact C-N 3.29Å; T11-T13 PolarHBondContact O-N 3.34Å
12S53.7Low58.7Low95 Ų95126 Ų12666%0.66470%0.699SS**  trans-76.596.1151.455.10000105.2S10S10-S12 PolarHBondContact O-N 2.99Å
13T52.1Low60.3Low103 Ų103119.3 Ų119.363%0.63267%0.674SS**  trans-48.4129.1148.1440000105.1T11 V15T11-T13 VanDerWaalsContact C-N 3.29Å; T11-T13 PolarHBondContact O-N 3.34Å; T13-V15 WeakPolarHBondContact O-CG2 3.49Å; T13-V15 PolarHBondContact O-N 3.28Å
14P52.7Low61.8Low121 Ų121122.8 Ų122.879%0.78667%0.671SS**  trans-60.598.8171.825.4-30.9000104.7L16P14-L16 PolarHBondContact O-N 3.33Å
15V52.4Low63Low123 Ų123117.5 Ų117.575%0.74564%0.639SS**  trans-63.894.4-174.7173.60000105.4T13 A17T13-V15 WeakPolarHBondContact O-CG2 3.49Å; T13-V15 PolarHBondContact O-N 3.28Å; V15-A17 WeakPolarHBondContact O-CA 3.45Å; V15-A17 PolarHBondContact O-N 2.9Å
16L51.4Low64.5Low131 Ų131117.8 Ų117.869%0.68663%0.634SS**  trans25.860.7167.7-149.580.3000112.8P14 L18 K42P14-L16 PolarHBondContact O-N 3.33Å; L16-L18 PolarHBondContact O-N 3.49Å; L16-K42 HydrophobicContact CD2-CD 4.43Å; L16-K42 VanDerWaalsContact CD2-NZ 3.34Å; L16-K42 PolarHBondContact O-NZ 2.83Å; L16-K42 VanDerWaalsContact O-NZ 3.17Å
17A58.5Low65.9Low79 Ų79114.5 Ų114.565%0.65362%0.622SS**  trans-43.5126.4-165.300000110.1V15 I19V15-A17 WeakPolarHBondContact O-CA 3.45Å; V15-A17 PolarHBondContact O-N 2.9Å; A17-I19 PolarHBondContact O-N 3.4Å
18L62.7Low67.2Low124 Ų124107.6 Ų107.665%0.64960%0.601SS**PPolyproline II helixtrans-54.7119.1174.2-67.7171.8000106.9L16 Q20L16-L18 PolarHBondContact O-N 3.49Å; L18-Q20 PolarHBondContact O-N 3.24Å; L18-Q20 VanDerWaalsContact O-N 3.1Å
19I74.6Confident68.8Low82 Ų8297.5 Ų97.542%0.42156%0.564SS.*PPolyproline II helixtrans-62.2119.7174.6-173.774.1000106.4A17 S38 T41A17-I19 PolarHBondContact O-N 3.4Å; I19-S38 VanDerWaalsContact CG2-CA 3.48Å; I19-S38 PolarHBondContact N-OG 2.87Å; I19-T41 HydrophobicContact CG1-CG2 4.45Å; I19-T41 HydrophobicContact CG2-CG2 4.12Å
20Q73.9Confident70.7Confident169 Ų16990.3 Ų90.379%0.7953%0.527SS*.PPolyproline II helixtrans-71.9135.5-174.7-67.6-173.9-18.700109.1L18L18-Q20 PolarHBondContact O-N 3.24Å; L18-Q20 VanDerWaalsContact O-N 3.1Å
21P78.3Confident72.2Confident24 Ų2494.4 Ų94.416%0.15653%0.527CS..PPolyproline II helixtrans-65.215317428.8-34.7000110.7V23 Y37 I123P21-V23 WeakPolarHBondContact CG-O 3.18Å; P21-V23 PolarHBondContact O-N 3.26Å; P21-Y37 HydrophobicContact CB-CD1 3.99Å; P21-Y37 HydrophobicContact CB-CE1 4.27Å; P21-I123 HydrophobicContact CB-CD1 4.2Å; P21-I123 HydrophobicContact CB-CG1 4.26Å; P21-I123 HydrophobicContact CB-CG2 3.81Å
22P77.5Confident74.1Confident72 Ų7289 Ų8947%0.46849%0.491SS..SBendtrans-62.4-27.4178.725-35.3000113.2A126P22-A126 HydrophobicContact CB-CB 4.37Å; P22-A126 HydrophobicContact CG-CB 3.91Å
23V81.5Confident75.9Confident68 Ų6884.5 Ų84.541%0.41246%0.459SS..SBendtrans-121.5133.7175.3171.10000109.5P21 V25 A126P21-V23 WeakPolarHBondContact CG-O 3.18Å; P21-V23 PolarHBondContact O-N 3.26Å; V23-V25 PolarHBondContact O-N 3.41Å; V23-A126 HydrophobicContact CB-CB 4.06Å; V23-A126 HydrophobicContact CG2-CB 3.37Å
24Q81.2Confident77.7Confident149 Ų14980.9 Ų80.970%0.69644%0.438SS*.  trans-76.3108.1177-62.2-179.428.500109.4F26Q24-F26 HydrophobicContact CB-CE1 4.46Å; Q24-F26 HydrophobicContact CB-CZ 4.15Å
25V83.1Confident79.5Confident18 Ų1877.5 Ų77.511%0.10942%0.42CS..  trans-94.3125.8171.2-71.30000109.9V23 G30 S34 K119 I123V23-V25 PolarHBondContact O-N 3.41Å; V25-G30 VanDerWaalsContact CG2-CA 3.43Å; V25-G30 WeakPolarHBondContact CG2-O 3.4Å; V25-S34 WeakPolarHBondContact CG2-OG 3.48Å; V25-K119 HydrophobicContact CB-CD 4.49Å; V25-K119 HydrophobicContact CG1-CB 4.43Å; V25-K119 HydrophobicContact CG1-CD 4.24Å; V25-I123 HydrophobicContact CG1-CD1 4.47Å; V25-I123 HydrophobicContact CG1-CG1 3.99Å; V25-I123 HydrophobicContact CG2-CD1 3.72Å; V25-I123 HydrophobicContact CG2-CG1 4.11Å
26F87Confident81.3Confident157 Ų15772 Ų7269%0.68939%0.387SS*.  trans-91.3166.5-179.1-55.5-73.1000112.1Q24Q24-F26 HydrophobicContact CB-CE1 4.46Å; Q24-F26 HydrophobicContact CB-CZ 4.15Å
27G89.1Confident83.2Confident44 Ų4466.3 Ų66.345%0.45436%0.356SS..Hα-helixtrans91.1179.9176.500000114.4E29 G30 R31G27-E29 VanDerWaalsContact C-N 3.28Å; G27-G30 PolarHBondContact O-N 3.42Å; G27-R31 WeakPolarHBondContact O-CG 3.31Å; G27-R31 PolarHBondContact O-N 3.02Å
28L86.9Confident84.6Confident62 Ų6262.7 Ų62.733%0.32533%0.326SS..Hα-helixtrans-65.7-39176.3-69.2171.4000110.2R31 Y32L28-R31 PolarHBondContact O-N 3.48Å; L28-Y32 WeakPolarHBondContact O-CD2 3.45Å; L28-Y32 PolarHBondContact O-N 3.24Å
29E89.4Confident85.9Confident34 Ų3458.5 Ų58.516%0.15931%0.31CS..Hα-helixtrans-63.7-43.4179.2-52.278.3-167.300110.6G27 R31 Y32 A33 K112 V116 K119G27-E29 VanDerWaalsContact C-N 3.28Å; E29-R31 VanDerWaalsContact C-N 3.33Å; E29-R31 PolarHBondContact O-N 3.2Å; E29-Y32 PolarHBondContact O-N 3.34Å; E29-A33 WeakPolarHBondContact O-CB 3.2Å; E29-A33 PolarHBondContact O-N 3.12Å; E29-K112 HydrophobicContact CG-CB 4.34Å; E29-K112 VanDerWaalsContact OE1-CD 3.29Å; E29-K112 WeakPolarHBondContact OE1-CD 3.35Å; E29-K112 WeakPolarHBondContact OE1-CE 3.26Å; E29-K112 IonicContact OE1-NZ 2.65Å; E29-K112 PolarHBondContact OE1-NZ 3.35Å; E29-V116 HydrophobicContact CB-CG2 3.96Å; E29-V116 HydrophobicContact CG-CG2 4.22Å; E29-K119 HydrophobicContact CB-CG 4.18Å
30G89.4Confident86.6Confident1 Ų154.6 Ų54.61%0.0129%0.29CS..Hα-helixtrans-61.8-37.1175.400000113.3V25 G27 A33 S34V25-G30 VanDerWaalsContact CG2-CA 3.43Å; V25-G30 WeakPolarHBondContact CG2-O 3.4Å; G27-G30 PolarHBondContact O-N 3.42Å; G30-A33 PolarHBondContact O-N 3Å; G30-S34 VanDerWaalsContact O-CB 3.26Å; G30-S34 WeakPolarHBondContact O-CB 3.38Å; G30-S34 PolarHBondContact O-N 3.48Å; G30-S34 PolarHBondContact O-OG 2.84Å
31R89.9Confident87.3Confident186 Ų18648.6 Ų48.670%0.70227%0.265SS*.Hα-helixtrans-63.9-43.4175.1-68.7177.170179.73112G27 L28 E29 A35G27-R31 WeakPolarHBondContact O-CG 3.31Å; G27-R31 PolarHBondContact O-N 3.02Å; L28-R31 PolarHBondContact O-N 3.48Å; E29-R31 VanDerWaalsContact C-N 3.33Å; E29-R31 PolarHBondContact O-N 3.2Å; R31-A35 WeakPolarHBondContact O-CB 3.49Å; R31-A35 PolarHBondContact O-N 3.19Å
32Y91.3Very high87.7Confident27 Ų2752.1 Ų52.111%0.10628%0.277CS..Hα-helixtrans-66.8-45.2176.3-74.6-70.3000111.9L28 E29 S34 A35 L36 I103 L104 N107 R109L28-Y32 WeakPolarHBondContact O-CD2 3.45Å; L28-Y32 PolarHBondContact O-N 3.24Å; E29-Y32 PolarHBondContact O-N 3.34Å; Y32-S34 VanDerWaalsContact C-N 3.33Å; Y32-S34 PolarHBondContact O-N 3.17Å; Y32-A35 PolarHBondContact O-N 3.18Å; Y32-L36 WeakPolarHBondContact O-CB 3.41Å; Y32-L36 PolarHBondContact O-N 3.13Å; Y32-I103 HydrophobicContact CE1-CG2 3.83Å; Y32-L104 HydrophobicContact CD1-CD2 3.95Å; Y32-L104 HydrophobicContact CD1-CG 4.47Å; Y32-L104 HydrophobicContact CD2-CD2 3.75Å; Y32-L104 HydrophobicContact CE1-CD2 3.96Å; Y32-L104 HydrophobicContact CE2-CD2 3.76Å; Y32-L104 HydrophobicContact CG-CD2 3.86Å; Y32-N107 PolarHBondContact OH-ND2 2.93Å; Y32-N107 VanDerWaalsContact OH-ND2 3.16Å; Y32-R109 WeakPolarHBondContact OH-CD 3.49Å; Y32-R109 PolarHBondContact OH-NH1 2.93Å
33A91.5Very high88.2Confident0 Ų052.6 Ų52.60%027%0.274CS..Hα-helixtrans-61.2-41.9177.500000111.7E29 G30 L36 Y37 K119 F120 I123E29-A33 WeakPolarHBondContact O-CB 3.2Å; E29-A33 PolarHBondContact O-N 3.12Å; G30-A33 PolarHBondContact O-N 3Å; A33-L36 PolarHBondContact O-N 2.89Å; A33-Y37 WeakPolarHBondContact O-CB 3.4Å; A33-Y37 PolarHBondContact O-N 2.95Å; A33-K119 HydrophobicContact CB-CB 3.92Å; A33-F120 HydrophobicContact CB-CB 4.22Å; A33-I123 HydrophobicContact CB-CD1 3.76Å
34S90.5Very high88.3Confident27 Ų2758.6 Ų58.619%0.18929%0.294CS..Hα-helixtrans-66.6-39.8176.1-57.40000112.4V25 G30 Y32 Y37 S38V25-S34 WeakPolarHBondContact CG2-OG 3.48Å; G30-S34 VanDerWaalsContact O-CB 3.26Å; G30-S34 WeakPolarHBondContact O-CB 3.38Å; G30-S34 PolarHBondContact O-N 3.48Å; G30-S34 PolarHBondContact O-OG 2.84Å; Y32-S34 VanDerWaalsContact C-N 3.33Å; Y32-S34 PolarHBondContact O-N 3.17Å; S34-Y37 PolarHBondContact O-N 3.39Å; S34-S38 VanDerWaalsContact O-CB 3.32Å; S34-S38 WeakPolarHBondContact O-CB 3.49Å; S34-S38 PolarHBondContact O-N 3.43Å
35A89.6Confident88.5Confident50 Ų5052.1 Ų52.141%0.41327%0.266SS..Hα-helixtrans-65.3-42.5176.300000111.6R31 Y32 S38 A39R31-A35 WeakPolarHBondContact O-CB 3.49Å; R31-A35 PolarHBondContact O-N 3.19Å; Y32-A35 PolarHBondContact O-N 3.18Å; A35-S38 PolarHBondContact O-N 2.87Å; A35-A39 WeakPolarHBondContact O-CB 3.25Å; A35-A39 PolarHBondContact O-N 2.84Å
36L90.4Very high88.7Confident7 Ų752.1 Ų52.14%0.03727%0.265CS..Hα-helixtrans-61.8-48.4174.5-178.773.4000111.3Y32 A33 S38 A39 A40 I49 I53 L100 F120Y32-L36 WeakPolarHBondContact O-CB 3.41Å; Y32-L36 PolarHBondContact O-N 3.13Å; A33-L36 PolarHBondContact O-N 2.89Å; L36-S38 VanDerWaalsContact C-N 3.25Å; L36-S38 PolarHBondContact O-N 2.89Å; L36-A39 PolarHBondContact O-N 3.17Å; L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 3.26Å; L36-I49 HydrophobicContact CD1-CG2 4.08Å; L36-I49 HydrophobicContact CD2-CG2 4.09Å; L36-I49 HydrophobicContact CG-CG2 4.19Å; L36-I53 HydrophobicContact CD2-CD1 3.35Å; L36-L100 HydrophobicContact CB-CD1 3.62Å; L36-L100 HydrophobicContact CD1-CB 4.01Å; L36-L100 HydrophobicContact CD1-CD1 3.87Å; L36-L100 HydrophobicContact CD1-CG 4.5Å; L36-L100 HydrophobicContact CD2-CD1 3.95Å; L36-L100 HydrophobicContact CG-CD1 4Å; L36-F120 HydrophobicContact CB-CD2 4.36Å; L36-F120 HydrophobicContact CB-CE2 4.38Å; L36-F120 HydrophobicContact CD2-CD1 4.3Å; L36-F120 HydrophobicContact CD2-CD2 3.31Å; L36-F120 HydrophobicContact CD2-CE1 4.36Å; L36-F120 HydrophobicContact CD2-CE2 3.39Å; L36-F120 HydrophobicContact CD2-CG 3.79Å; L36-F120 HydrophobicContact CD2-CZ 3.93Å; L36-F120 HydrophobicContact CG-CD2 4.09Å; L36-F120 HydrophobicContact CG-CE2 3.84Å
37Y90.1Very high88.7Confident12 Ų1249.6 Ų49.65%0.04726%0.259CS..Hα-helixtrans-58-40.9176.3175.7-98000111.6P21 A33 S34 A40 T41 L46 I123 Y127P21-Y37 HydrophobicContact CB-CD1 3.99Å; P21-Y37 HydrophobicContact CB-CE1 4.27Å; A33-Y37 WeakPolarHBondContact O-CB 3.4Å; A33-Y37 PolarHBondContact O-N 2.95Å; S34-Y37 PolarHBondContact O-N 3.39Å; Y37-A40 PolarHBondContact O-N 3.28Å; Y37-T41 WeakPolarHBondContact O-CB 3.17Å; Y37-T41 PolarHBondContact O-N 3.45Å; Y37-T41 PolarHBondContact O-OG1 3.02Å; Y37-L46 HydrophobicContact CD2-CD2 3.92Å; Y37-L46 HydrophobicContact CE2-CD2 4Å; Y37-I123 HydrophobicContact CD1-CG2 4.29Å; Y37-I123 HydrophobicContact CD2-CG2 3.49Å; Y37-I123 VanDerWaalsContact CD2-CG2 3.49Å; Y37-I123 HydrophobicContact CE2-CG2 3.93Å; Y37-I123 HydrophobicContact CG-CG2 3.69Å; Y37-Y127 HydrophobicContact CE2-CD2 4.11Å; Y37-Y127 HydrophobicContact CE2-CG 4.14Å; Y37-Y127 WeakPolarHBondContact OH-CD2 3.39Å; Y37-Y127 WeakPolarHBondContact OH-CE2 3.27Å
38S89.2Confident88.7Confident3 Ų354.3 Ų54.32%0.02127%0.267CS..Hα-helixtrans-64.9-43.6176.9179.20000112.7I19 S34 A35 L36 K42I19-S38 VanDerWaalsContact CG2-CA 3.48Å; I19-S38 PolarHBondContact N-OG 2.87Å; S34-S38 VanDerWaalsContact O-CB 3.32Å; S34-S38 WeakPolarHBondContact O-CB 3.49Å; S34-S38 PolarHBondContact O-N 3.43Å; A35-S38 PolarHBondContact O-N 2.87Å; L36-S38 VanDerWaalsContact C-N 3.25Å; L36-S38 PolarHBondContact O-N 2.89Å; S38-K42 VanDerWaalsContact O-CG 3.28Å; S38-K42 WeakPolarHBondContact O-CG 3.28Å; S38-K42 PolarHBondContact O-N 3.33Å; S38-K42 VanDerWaalsContact O-N 3.15Å
39A89.2Confident88.9Confident37 Ų3751.3 Ų51.331%0.30625%0.251SS..Hα-helixtrans-64.6-43.5174.200000112A35 L36 T41 K42 Q43A35-A39 WeakPolarHBondContact O-CB 3.25Å; A35-A39 PolarHBondContact O-N 2.84Å; L36-A39 PolarHBondContact O-N 3.17Å; A39-T41 PolarHBondContact O-N 2.83Å; A39-K42 PolarHBondContact O-N 2.98Å; A39-Q43 WeakPolarHBondContact O-CG 3.5Å; A39-Q43 PolarHBondContact O-N 2.83Å
40A89.2Confident88.9Confident0 Ų050.9 Ų50.90%025%0.249CC..Hα-helixtrans-62.7-42.2-179.900000112.5L36 Y37 Q43 K44 A45 L46 I49L36-A40 WeakPolarHBondContact O-CB 3.44Å; L36-A40 PolarHBondContact O-N 3.26Å; Y37-A40 PolarHBondContact O-N 3.28Å; A40-Q43 CarbonylContact O-C 3.59Å; A40-Q43 PolarHBondContact O-N 3Å; A40-K44 PolarHBondContact O-N 2.81Å; A40-A45 PolarHBondContact O-N 3.32Å; A40-L46 HydrophobicContact CB-CD2 3.47Å; A40-L46 VanDerWaalsContact CB-CD2 3.47Å; A40-L46 HydrophobicContact CB-CG 4.22Å; A40-I49 HydrophobicContact CB-CD1 3.31Å
41T88.3Confident89Confident42 Ų4257.3 Ų57.326%0.25828%0.277SS..Hα-helixtrans-66-41.6176.8-55.90000110.9I19 Y37 A39 Q43 K44I19-T41 HydrophobicContact CG1-CG2 4.45Å; I19-T41 HydrophobicContact CG2-CG2 4.12Å; Y37-T41 WeakPolarHBondContact O-CB 3.17Å; Y37-T41 PolarHBondContact O-N 3.45Å; Y37-T41 PolarHBondContact O-OG1 3.02Å; A39-T41 PolarHBondContact O-N 2.83Å; T41-Q43 VanDerWaalsContact C-N 3.33Å; T41-Q43 PolarHBondContact O-N 2.86Å; T41-K44 PolarHBondContact O-N 3.09Å
42K87.9Confident89.1Confident98 Ų9849.4 Ų49.443%0.42625%0.249SC..Hα-helixtrans-62.9-38.7175.7-73.1174.4-177.5-176.60112.3L16 S38 A39 K44L16-K42 HydrophobicContact CD2-CD 4.43Å; L16-K42 VanDerWaalsContact CD2-NZ 3.34Å; L16-K42 PolarHBondContact O-NZ 2.83Å; L16-K42 VanDerWaalsContact O-NZ 3.17Å; S38-K42 VanDerWaalsContact O-CG 3.28Å; S38-K42 WeakPolarHBondContact O-CG 3.28Å; S38-K42 PolarHBondContact O-N 3.33Å; S38-K42 VanDerWaalsContact O-N 3.15Å; A39-K42 PolarHBondContact O-N 2.98Å; K42-K44 VanDerWaalsContact C-N 3.32Å
43Q86.7Confident89.1Confident83 Ų8348.4 Ų48.439%0.38825%0.245SC..THydrogen-bonded Turntrans-82.8-3.8177.3-68-176.5-500114A39 A40 T41 A45A39-Q43 WeakPolarHBondContact O-CG 3.5Å; A39-Q43 PolarHBondContact O-N 2.83Å; A40-Q43 CarbonylContact O-C 3.59Å; A40-Q43 PolarHBondContact O-N 3Å; T41-Q43 VanDerWaalsContact C-N 3.33Å; T41-Q43 PolarHBondContact O-N 2.86Å; Q43-A45 HydrophobicContact CB-CB 4.19Å; Q43-A45 PolarHBondContact O-N 2.9Å
44K84.7Confident89Confident194 Ų19452.5 Ų52.584%0.84326%0.264SS*.THydrogen-bonded Turntrans51.334.4-173.5-58-179.2178.4179.30113.2A40 T41 K42A40-K44 PolarHBondContact O-N 2.81Å; T41-K44 PolarHBondContact O-N 3.09Å; K42-K44 VanDerWaalsContact C-N 3.32Å
45A85.4Confident89Confident13 Ų1355.9 Ų55.911%0.10728%0.28CS..  trans-119.127.4-172.300000113A40 Q43 D47 K48 I49A40-A45 PolarHBondContact O-N 3.32Å; Q43-A45 HydrophobicContact CB-CB 4.19Å; Q43-A45 PolarHBondContact O-N 2.9Å; A45-D47 PolarHBondContact O-N 3.4Å; A45-K48 PolarHBondContact O-N 3.19Å; A45-I49 HydrophobicContact CB-CD1 4.23Å; A45-I49 WeakPolarHBondContact O-CG1 3.4Å; A45-I49 PolarHBondContact O-N 3.45Å
46L86.6Confident88.9Confident17 Ų1753.8 Ų53.89%0.08926%0.261CS..Hα-helixtrans-53.8-51.7-175.7-72.8166.8000112.6Y37 A40 K48 I49 E50 M124 Y127Y37-L46 HydrophobicContact CD2-CD2 3.92Å; Y37-L46 HydrophobicContact CE2-CD2 4Å; A40-L46 HydrophobicContact CB-CD2 3.47Å; A40-L46 VanDerWaalsContact CB-CD2 3.47Å; A40-L46 HydrophobicContact CB-CG 4.22Å; L46-K48 VanDerWaalsContact C-N 3.28Å; L46-K48 PolarHBondContact O-N 3.42Å; L46-I49 PolarHBondContact O-N 3.02Å; L46-E50 PolarHBondContact O-N 3.39Å; L46-M124 HydrophobicContact CB-CE 4.27Å; L46-M124 HydrophobicContact CD2-SD 4.14Å; L46-Y127 HydrophobicContact CD1-CD1 4.3Å; L46-Y127 HydrophobicContact CD1-CE1 3.67Å; L46-Y127 HydrophobicContact CD1-CE2 4.44Å
47D87.9Confident88.8Confident105 Ų10554.8 Ų54.856%0.56127%0.266SS*.Hα-helixtrans-64-31.9-178.1-58.8-32.5000113.1A45 K51A45-D47 PolarHBondContact O-N 3.4Å; D47-K51 VanDerWaalsContact O-CG 3.32Å; D47-K51 WeakPolarHBondContact O-CG 3.46Å; D47-K51 PolarHBondContact O-N 2.9Å
48K89.9Confident88.8Confident142 Ų14258.1 Ų58.162%0.61728%0.284SS*.Hα-helixtrans-71.1-45.4177.3-65.1-176.3-179.8179.40110.4A45 L46 E50 K51 D52A45-K48 PolarHBondContact O-N 3.19Å; L46-K48 VanDerWaalsContact C-N 3.28Å; L46-K48 PolarHBondContact O-N 3.42Å; K48-E50 VanDerWaalsContact C-N 3.34Å; K48-E50 PolarHBondContact O-N 3.09Å; K48-K51 PolarHBondContact O-N 2.91Å; K48-D52 VanDerWaalsContact O-CG 3.25Å; K48-D52 PolarHBondContact O-N 3.34Å
49I90.9Very high88.7Confident0 Ų059.6 Ų59.60%029%0.293CS..Hα-helixtrans-65.9-38.2-179.2-69.1163.9000111L36 A40 A45 L46 D52 I53 N94 A96 F120L36-I49 HydrophobicContact CD1-CG2 4.08Å; L36-I49 HydrophobicContact CD2-CG2 4.09Å; L36-I49 HydrophobicContact CG-CG2 4.19Å; A40-I49 HydrophobicContact CB-CD1 3.31Å; A45-I49 HydrophobicContact CB-CD1 4.23Å; A45-I49 WeakPolarHBondContact O-CG1 3.4Å; A45-I49 PolarHBondContact O-N 3.45Å; L46-I49 PolarHBondContact O-N 3.02Å; I49-D52 PolarHBondContact O-N 2.99Å; I49-I53 HydrophobicContact CG2-CD1 3.69Å; I49-I53 HydrophobicContact CG2-CG1 4.48Å; I49-I53 WeakPolarHBondContact O-CB 3.4Å; I49-I53 WeakPolarHBondContact O-CD1 3.36Å; I49-I53 VanDerWaalsContact O-CG1 3.27Å; I49-I53 WeakPolarHBondContact O-CG1 3.44Å; I49-I53 PolarHBondContact O-N 2.75Å; I49-N94 HydrophobicContact CG1-CB 4.44Å; I49-A96 HydrophobicContact CD1-CB 3.69Å; I49-A96 HydrophobicContact CG1-CB 4.38Å; I49-F120 HydrophobicContact CG2-CE1 4.39Å; I49-F120 HydrophobicContact CG2-CZ 3.95Å
50E89.6Confident88.6Confident24 Ų2458.7 Ų58.711%0.11228%0.283CS..Hα-helixtrans-61.8-45.7174.1-173.7-171.9161.500112.1L46 K48 D52 I53 Q54 M124 R128L46-E50 PolarHBondContact O-N 3.39Å; K48-E50 VanDerWaalsContact C-N 3.34Å; K48-E50 PolarHBondContact O-N 3.09Å; E50-D52 VanDerWaalsContact C-N 3.34Å; E50-D52 PolarHBondContact O-N 3.11Å; E50-I53 PolarHBondContact O-N 3.25Å; E50-Q54 WeakPolarHBondContact O-CG 3.4Å; E50-Q54 PolarHBondContact O-N 2.9Å; E50-Q54 PolarHBondContact OE1-NE2 2.8Å; E50-M124 HydrophobicContact CB-CE 4.26Å; E50-M124 VanDerWaalsContact OE2-CE 3.23Å; E50-M124 WeakPolarHBondContact OE2-CE 3.48Å; E50-R128 IonicContact OE1-CZ 3.29Å; E50-R128 IonicContact OE1-NH1 3.41Å; E50-R128 IonicContact OE1-NH2 2.75Å; E50-R128 PolarHBondContact OE1-NH2 3.36Å; E50-R128 IonicContact OE2-CZ 2.91Å; E50-R128 IonicContact OE2-NE 3.47Å; E50-R128 IonicContact OE2-NH2 3.33Å; E50-R128 PolarHBondContact OE2-NH2 3.2Å
51K90.9Very high88.5Confident136 Ų13665.7 Ų65.759%0.59131%0.313SS*.Hα-helixtrans-60.6-44.3175.4-72.8174-177.1-179.90111.5D47 K48 I53 Q54 L55D47-K51 VanDerWaalsContact O-CG 3.32Å; D47-K51 WeakPolarHBondContact O-CG 3.46Å; D47-K51 PolarHBondContact O-N 2.9Å; K48-K51 PolarHBondContact O-N 2.91Å; K51-I53 VanDerWaalsContact C-N 3.31Å; K51-I53 PolarHBondContact O-N 2.98Å; K51-Q54 PolarHBondContact O-N 2.84Å; K51-L55 VanDerWaalsContact O-CG 3.29Å; K51-L55 WeakPolarHBondContact O-CG 3.48Å; K51-L55 PolarHBondContact O-N 3.3Å
52D90.8Very high88.4Confident20 Ų2071.6 Ų71.611%0.10734%0.336CS..Hα-helixtrans-59.4-44176.6-66.6-16.7000111.3K48 I49 E50 L55 I56 V93 N94 T97K48-D52 VanDerWaalsContact O-CG 3.25Å; K48-D52 PolarHBondContact O-N 3.34Å; I49-D52 PolarHBondContact O-N 2.99Å; E50-D52 VanDerWaalsContact C-N 3.34Å; E50-D52 PolarHBondContact O-N 3.11Å; D52-L55 WeakPolarHBondContact O-CB 3.44Å; D52-L55 PolarHBondContact O-N 2.69Å; D52-I56 WeakPolarHBondContact O-CD1 3.42Å; D52-I56 VanDerWaalsContact O-CG1 3.22Å; D52-I56 WeakPolarHBondContact O-CG1 3.39Å; D52-I56 PolarHBondContact O-N 3.12Å; D52-V93 HydrophobicContact CB-CB 4.43Å; D52-V93 HydrophobicContact CB-CG1 4.36Å; D52-N94 WeakPolarHBondContact OD2-CB 3.4Å; D52-N94 PolarHBondContact OD2-N 2.98Å; D52-T97 HydrophobicContact CB-CG2 3.99Å; D52-T97 PolarHBondContact OD2-OG1 3.35Å
53I91.1Very high88.4Confident6 Ų670.6 Ų70.63%0.03134%0.335CS..Hα-helixtrans-66.4-40.6-179.9-74165.1000111.6L36 I49 E50 K51 I56 K57 T97 I117 F120L36-I53 HydrophobicContact CD2-CD1 3.35Å; I49-I53 HydrophobicContact CG2-CD1 3.69Å; I49-I53 HydrophobicContact CG2-CG1 4.48Å; I49-I53 WeakPolarHBondContact O-CB 3.4Å; I49-I53 WeakPolarHBondContact O-CD1 3.36Å; I49-I53 VanDerWaalsContact O-CG1 3.27Å; I49-I53 WeakPolarHBondContact O-CG1 3.44Å; I49-I53 PolarHBondContact O-N 2.75Å; E50-I53 PolarHBondContact O-N 3.25Å; K51-I53 VanDerWaalsContact C-N 3.31Å; K51-I53 PolarHBondContact O-N 2.98Å; I53-I56 PolarHBondContact O-N 2.99Å; I53-K57 WeakPolarHBondContact O-CB 3.47Å; I53-K57 PolarHBondContact O-N 2.79Å; I53-T97 HydrophobicContact CG1-CG2 4.44Å; I53-I117 HydrophobicContact CG2-CB 4.23Å; I53-I117 HydrophobicContact CG2-CG1 3.98Å; I53-I117 HydrophobicContact CG2-CG2 3.6Å; I53-F120 HydrophobicContact CD1-CD1 3.36Å; I53-F120 HydrophobicContact CD1-CD2 4.48Å; I53-F120 HydrophobicContact CD1-CE1 3.4Å; I53-F120 HydrophobicContact CD1-CG 3.93Å; I53-F120 HydrophobicContact CD1-CZ 4Å; I53-F120 HydrophobicContact CG2-CD1 4.4Å
54Q90.4Very high88.3Confident86 Ų8671.1 Ų71.140%0.40234%0.343SS..Hα-helixtrans-63.7-41.5174.1-72.4177.30.200111.7E50 K51 I56 K57 N58E50-Q54 WeakPolarHBondContact O-CG 3.4Å; E50-Q54 PolarHBondContact O-N 2.9Å; E50-Q54 PolarHBondContact OE1-NE2 2.8Å; K51-Q54 PolarHBondContact O-N 2.84Å; Q54-I56 VanDerWaalsContact C-N 3.34Å; Q54-I56 PolarHBondContact O-N 2.91Å; Q54-K57 PolarHBondContact O-N 2.89Å; Q54-N58 WeakPolarHBondContact O-CB 3.29Å; Q54-N58 PolarHBondContact O-N 2.98Å; Q54-N58 PolarHBondContact O-ND2 3.35Å
55L89.6Confident88.4Confident98 Ų9870.2 Ų70.251%0.51334%0.339SS..Hα-helixtrans-60.1-45.8174.4-72.1173.2000110.9K51 D52 N58 T59K51-L55 VanDerWaalsContact O-CG 3.29Å; K51-L55 WeakPolarHBondContact O-CG 3.48Å; K51-L55 PolarHBondContact O-N 3.3Å; D52-L55 WeakPolarHBondContact O-CB 3.44Å; D52-L55 PolarHBondContact O-N 2.69Å; L55-N58 PolarHBondContact O-N 3.16Å; L55-T59 WeakPolarHBondContact O-CG2 3.44Å; L55-T59 PolarHBondContact O-N 3.31Å; L55-T59 PolarHBondContact O-OG1 2.85Å
56I88.2Confident88.3Confident6 Ų672.8 Ų72.83%0.03135%0.351CS..Hα-helixtrans-66.9-40179-64.4164000111.8D52 I53 Q54 N58 T59 L60 L88 L91 V93 T97 F101D52-I56 WeakPolarHBondContact O-CD1 3.42Å; D52-I56 VanDerWaalsContact O-CG1 3.22Å; D52-I56 WeakPolarHBondContact O-CG1 3.39Å; D52-I56 PolarHBondContact O-N 3.12Å; I53-I56 PolarHBondContact O-N 2.99Å; Q54-I56 VanDerWaalsContact C-N 3.34Å; Q54-I56 PolarHBondContact O-N 2.91Å; I56-N58 PolarHBondContact O-N 2.61Å; I56-T59 WeakPolarHBondContact CA-OG1 3.49Å; I56-T59 PolarHBondContact O-N 3.13Å; I56-T59 PolarHBondContact O-OG1 3.47Å; I56-L60 HydrophobicContact CG2-CD1 3.84Å; I56-L60 HydrophobicContact CG2-CG 4.19Å; I56-L60 WeakPolarHBondContact O-CB 3.18Å; I56-L60 VanDerWaalsContact O-CG 3.31Å; I56-L60 WeakPolarHBondContact O-CG 3.14Å; I56-L60 PolarHBondContact O-N 2.88Å; I56-L88 HydrophobicContact CD1-CD2 3.67Å; I56-L88 HydrophobicContact CG1-CD2 4.15Å; I56-L91 HydrophobicContact CG1-CD1 4.37Å; I56-V93 HydrophobicContact CD1-CG1 4.23Å; I56-T97 HydrophobicContact CD1-CG2 3.66Å; I56-F101 HydrophobicContact CB-CZ 4.35Å; I56-F101 HydrophobicContact CD1-CD2 4.08Å; I56-F101 HydrophobicContact CD1-CE2 3.34Å; I56-F101 HydrophobicContact CD1-CZ 3.82Å; I56-F101 HydrophobicContact CG2-CE1 4.08Å; I56-F101 HydrophobicContact CG2-CE2 4.24Å; I56-F101 HydrophobicContact CG2-CZ 3.55Å
57K89.1Confident88.2Confident29 Ų2975.2 Ų75.213%0.12636%0.362CS..Hα-helixtrans-58.1-41.8173.8-167.5179.5-160.9164.40110.8I53 Q54 K61 I117 D118 E121I53-K57 WeakPolarHBondContact O-CB 3.47Å; I53-K57 PolarHBondContact O-N 2.79Å; Q54-K57 PolarHBondContact O-N 2.89Å; K57-K61 VanDerWaalsContact O-CG 3.32Å; K57-K61 WeakPolarHBondContact O-CG 3.23Å; K57-K61 PolarHBondContact O-N 2.85Å; K57-I117 HydrophobicContact CB-CD1 4.3Å; K57-I117 HydrophobicContact CB-CG2 4.27Å; K57-I117 HydrophobicContact CD-CG2 3.78Å; K57-I117 HydrophobicContact CG-CG2 4.18Å; K57-D118 IonicContact NZ-OD1 2.76Å; K57-D118 PolarHBondContact NZ-OD1 2.94Å; K57-E121 WeakPolarHBondContact CD-OE1 3.34Å; K57-E121 IonicContact NZ-OE1 3.15Å; K57-E121 PolarHBondContact NZ-OE1 3.26Å; K57-E121 IonicContact NZ-OE2 2.74Å; K57-E121 PolarHBondContact NZ-OE2 3.43Å
58N89.5Confident88.1Confident82 Ų8275 Ų7544%0.43936%0.358SS..Hα-helixtrans-72.5-37.8179.7-71-26.8000112.8Q54 L55 I56 K62Q54-N58 WeakPolarHBondContact O-CB 3.29Å; Q54-N58 PolarHBondContact O-N 2.98Å; Q54-N58 PolarHBondContact O-ND2 3.35Å; L55-N58 PolarHBondContact O-N 3.16Å; I56-N58 PolarHBondContact O-N 2.61Å; N58-K62 VanDerWaalsContact O-CG 3.25Å; N58-K62 WeakPolarHBondContact O-CG 3.3Å; N58-K62 PolarHBondContact O-N 3.07Å
59T87.8Confident87.9Confident34 Ų3470.6 Ų70.621%0.20934%0.339CS..Hα-helixtrans-68.5-44175.654.70000111.4L55 I56 K61 K62 D63 L91L55-T59 WeakPolarHBondContact O-CG2 3.44Å; L55-T59 PolarHBondContact O-N 3.31Å; L55-T59 PolarHBondContact O-OG1 2.85Å; I56-T59 WeakPolarHBondContact CA-OG1 3.49Å; I56-T59 PolarHBondContact O-N 3.13Å; I56-T59 PolarHBondContact O-OG1 3.47Å; T59-K61 VanDerWaalsContact C-N 3.26Å; T59-K61 PolarHBondContact O-N 3.01Å; T59-K62 PolarHBondContact O-N 3.49Å; T59-D63 WeakPolarHBondContact O-CB 3.23Å; T59-D63 PolarHBondContact O-N 3.31Å; T59-L91 HydrophobicContact CG2-CD1 4.38Å; T59-L91 HydrophobicContact CG2-CD2 4.33Å
60L86.6Confident87.6Confident18 Ų1871.4 Ų71.49%0.09434%0.344CS..Hα-helixtrans-60.4-33.8176.5-73.7172.9000113.1I56 L66 I113I56-L60 HydrophobicContact CG2-CD1 3.84Å; I56-L60 HydrophobicContact CG2-CG 4.19Å; I56-L60 WeakPolarHBondContact O-CB 3.18Å; I56-L60 VanDerWaalsContact O-CG 3.31Å; I56-L60 WeakPolarHBondContact O-CG 3.14Å; I56-L60 PolarHBondContact O-N 2.88Å; L60-L66 HydrophobicContact CD2-CB 4.41Å; L60-I113 HydrophobicContact CD1-CG2 3.61Å
61K85.9Confident87.4Confident146 Ų14674.3 Ų74.364%0.63536%0.36SS*.Hα-helixtrans-73.3-31175-76.1178.9178.4-173.90113.4K57 T59K57-K61 VanDerWaalsContact O-CG 3.32Å; K57-K61 WeakPolarHBondContact O-CG 3.23Å; K57-K61 PolarHBondContact O-N 2.85Å; T59-K61 VanDerWaalsContact C-N 3.26Å; T59-K61 PolarHBondContact O-N 3.01Å
62K87.9Confident87.2Confident167 Ų16771.1 Ų71.173%0.72635%0.349SS*.Hα-helixtrans-82.8-40-178.8-72.5173.7-178.5-175.30111.9N58 T59 V64N58-K62 VanDerWaalsContact O-CG 3.25Å; N58-K62 WeakPolarHBondContact O-CG 3.3Å; N58-K62 PolarHBondContact O-N 3.07Å; T59-K62 PolarHBondContact O-N 3.49Å; K62-V64 PolarHBondContact O-N 3.41Å
63D86.7Confident86.8Confident76 Ų7676 Ų7641%0.40638%0.382SS..  trans-98.191.5-172.6-66.4-36.2000111.5T59 K65 L66 H67T59-D63 WeakPolarHBondContact O-CB 3.23Å; T59-D63 PolarHBondContact O-N 3.31Å; D63-K65 PolarHBondContact O-N 2.79Å; D63-L66 HydrophobicContact CB-CB 3.95Å; D63-L66 HydrophobicContact CB-CD1 3.75Å; D63-L66 HydrophobicContact CB-CG 3.79Å; D63-L66 PolarHBondContact O-N 3.17Å; D63-L66 WeakPolarHBondContact OD2-CD1 3.44Å; D63-H67 PolarHBondContact O-N 2.9Å; D63-H67 VanDerWaalsContact O-N 3.14Å
64V85.8Confident86.4Confident94 Ų9480.7 Ų80.757%0.5742%0.415SS*.Hα-helixtrans-54.2-39.9178-178.30000111.9K62 L66 H67 E68K62-V64 PolarHBondContact O-N 3.41Å; V64-L66 VanDerWaalsContact C-N 3.35Å; V64-L66 PolarHBondContact O-N 2.91Å; V64-H67 WeakPolarHBondContact O-CB 3.34Å; V64-H67 PolarHBondContact O-N 3.42Å; V64-E68 HydrophobicContact CG1-CG 4.41Å; V64-E68 WeakPolarHBondContact O-CG 3.26Å; V64-E68 PolarHBondContact O-N 2.79Å
65K85.6Confident86.1Confident175 Ų17579.5 Ų79.576%0.76141%0.411SS*.Hα-helixtrans-62.4-38.2178.5-64.4-178.4-180178.60113.2D63 H67 F69D63-K65 PolarHBondContact O-N 2.79Å; K65-H67 VanDerWaalsContact C-N 3.34Å; K65-F69 WeakPolarHBondContact O-CB 3.47Å; K65-F69 PolarHBondContact O-N 2.96Å
66L82.9Confident85.9Confident68 Ų6881.6 Ų81.636%0.35642%0.418SS..Hα-helixtrans-71.4-35.9177.4-67.7-177.1000110.8L60 D63 V64 C70L60-L66 HydrophobicContact CD2-CB 4.41Å; D63-L66 HydrophobicContact CB-CB 3.95Å; D63-L66 HydrophobicContact CB-CD1 3.75Å; D63-L66 HydrophobicContact CB-CG 3.79Å; D63-L66 PolarHBondContact O-N 3.17Å; D63-L66 WeakPolarHBondContact OD2-CD1 3.44Å; V64-L66 VanDerWaalsContact C-N 3.35Å; V64-L66 PolarHBondContact O-N 2.91Å; L66-C70 PolarHBondContact O-N 2.75Å; L66-C70 VanDerWaalsContact O-N 3.1Å; L66-C70 PolarHBondContact O-SG 3.17Å
67H84.8Confident85.7Confident68 Ų6889.1 Ų89.132%0.31545%0.447SS..Hα-helixtrans-64.3-46.9174.8-177.4-97.4000111.8D63 V64 K65 F69 C70 L71D63-H67 PolarHBondContact O-N 2.9Å; D63-H67 VanDerWaalsContact O-N 3.14Å; V64-H67 WeakPolarHBondContact O-CB 3.34Å; V64-H67 PolarHBondContact O-N 3.42Å; K65-H67 VanDerWaalsContact C-N 3.34Å; H67-F69 PolarHBondContact O-N 2.97Å; H67-C70 WeakPolarHBondContact O-CB 3.47Å; H67-C70 PolarHBondContact O-N 3.05Å; H67-C70 VanDerWaalsContact O-N 3.17Å; H67-L71 WeakPolarHBondContact CE1-CD1 3.1Å; H67-L71 WeakPolarHBondContact O-CG 3.12Å; H67-L71 PolarHBondContact O-N 2.98Å; H67-L71 VanDerWaalsContact O-N 3.13Å
68E86.1Confident85.6Confident101 Ų10190.1 Ų90.147%0.47246%0.46SS..Hα-helixtrans-58.2-47.8174.1-71.8172.1172.500111.3V64 C70 L71 D72V64-E68 HydrophobicContact CG1-CG 4.41Å; V64-E68 WeakPolarHBondContact O-CG 3.26Å; V64-E68 PolarHBondContact O-N 2.79Å; E68-C70 PolarHBondContact O-N 3.37Å; E68-C70 VanDerWaalsContact O-N 3.15Å; E68-L71 PolarHBondContact O-N 2.98Å; E68-D72 PolarHBondContact O-N 3.18Å
69F86Confident85.4Confident49 Ų4989.7 Ų89.722%0.21546%0.46CS..Hα-helixtrans-55.5-35.7175.8-177-93.2000113.6K65 H67 L75 K80 I84K65-F69 WeakPolarHBondContact O-CB 3.47Å; K65-F69 PolarHBondContact O-N 2.96Å; H67-F69 PolarHBondContact O-N 2.97Å; F69-L75 HydrophobicContact CD2-CD1 3.37Å; F69-L75 HydrophobicContact CE2-CD1 3.4Å; F69-L75 VanDerWaalsContact CE2-CD1 3.4Å; F69-L75 HydrophobicContact CG-CD1 4.19Å; F69-L75 HydrophobicContact CZ-CD1 4.23Å; F69-K80 HydrophobicContact CE1-CB 4.4Å; F69-K80 HydrophobicContact CE1-CG 4.32Å; F69-K80 HydrophobicContact CZ-CB 4.44Å; F69-K80 HydrophobicContact CZ-CG 4.22Å; F69-I84 HydrophobicContact CE1-CD1 4.46Å; F69-I84 HydrophobicContact CE1-CG1 4.14Å
70C84.5Confident85.3Confident16 Ų1688.7 Ų88.711%0.10845%0.453CS..Hα-helixtrans-71.7-35.3176.6-68.70000112.4L66 H67 E68 L110 S111L66-C70 PolarHBondContact O-N 2.75Å; L66-C70 VanDerWaalsContact O-N 3.1Å; L66-C70 PolarHBondContact O-SG 3.17Å; H67-C70 WeakPolarHBondContact O-CB 3.47Å; H67-C70 PolarHBondContact O-N 3.05Å; H67-C70 VanDerWaalsContact O-N 3.17Å; E68-C70 PolarHBondContact O-N 3.37Å; E68-C70 VanDerWaalsContact O-N 3.15Å; C70-L110 HydrophobicContact CB-CB 4.3Å; C70-S111 PolarHBondContact O-N 2.85Å
71L85Confident85.3Confident85 Ų8589.7 Ų89.745%0.44546%0.458SS..Hα-helixtrans-79.5-32.3-179.2-68.6178.1000113.2H67 E68 P73H67-L71 WeakPolarHBondContact CE1-CD1 3.1Å; H67-L71 WeakPolarHBondContact O-CG 3.12Å; H67-L71 PolarHBondContact O-N 2.98Å; H67-L71 VanDerWaalsContact O-N 3.13Å; E68-L71 PolarHBondContact O-N 2.98Å; L71-P73 WeakPolarHBondContact O-CD 3.47Å
72D86.5Confident85.4Confident70 Ų7087.7 Ų87.737%0.37445%0.454SS..  trans-66.6107.3-170.9-72.3-30.5000113.4E68 S74 L75 K80E68-D72 PolarHBondContact O-N 3.18Å; D72-S74 PolarHBondContact O-N 3.36Å; D72-L75 HydrophobicContact CB-CD1 4.37Å; D72-L75 HydrophobicContact CB-CG 4.47Å; D72-K80 WeakPolarHBondContact O-CE 3.42Å; D72-K80 PolarHBondContact O-NZ 2.88Å
73P83.4Confident85.3Confident123 Ų12381 Ų8180%0.79943%0.433SS*.THydrogen-bonded Turntrans-75-12.4-178.231.9-35000113.6L71 L75L71-P73 WeakPolarHBondContact O-CD 3.47Å; P73-L75 VanDerWaalsContact C-N 3.34Å; P73-L75 PolarHBondContact O-N 3.33Å
74S83.1Confident85.3Confident104 Ų10478.1 Ų78.173%0.72742%0.417SS*.THydrogen-bonded Turntrans-72.3-22.3-175.255.20000114.1D72D72-S74 PolarHBondContact O-N 3.36Å
75L82.8Confident85.3Confident60 Ų6074.1 Ų74.131%0.31440%0.395SS..SBendtrans-77.9136.5-177.7-60.3173.8000111.6F69 D72 P73 R77 K80F69-L75 HydrophobicContact CD2-CD1 3.37Å; F69-L75 HydrophobicContact CE2-CD1 3.4Å; F69-L75 VanDerWaalsContact CE2-CD1 3.4Å; F69-L75 HydrophobicContact CG-CD1 4.19Å; F69-L75 HydrophobicContact CZ-CD1 4.23Å; D72-L75 HydrophobicContact CB-CD1 4.37Å; D72-L75 HydrophobicContact CB-CG 4.47Å; P73-L75 VanDerWaalsContact C-N 3.34Å; P73-L75 PolarHBondContact O-N 3.33Å; L75-R77 PolarHBondContact O-N 2.59Å; L75-K80 HydrophobicContact CB-CD 4.38Å; L75-K80 HydrophobicContact CB-CG 3.92Å
76Q85.6Confident85.3Confident142 Ų14271.8 Ų71.866%0.66439%0.387SS*.  trans-58.7138.5176.5-165.518024.800110.9A78 T79 K80Q76-A78 VanDerWaalsContact C-N 3.26Å; Q76-A78 PolarHBondContact O-N 2.7Å; Q76-T79 PolarHBondContact O-N 2.76Å; Q76-T79 VanDerWaalsContact O-N 3.08Å; Q76-K80 PolarHBondContact O-N 2.85Å
77R85.2Confident85.4Confident165 Ų16570.2 Ų70.262%0.62338%0.383SS*.Hα-helixtrans-54.3-40.9-178.6-62.6-179-172.7171.54.9112.6L75 K80 I81 E106L75-R77 PolarHBondContact O-N 2.59Å; R77-K80 WeakPolarHBondContact O-CB 3.03Å; R77-K80 PolarHBondContact O-N 2.73Å; R77-I81 WeakPolarHBondContact O-CD1 3.37Å; R77-I81 VanDerWaalsContact O-CG1 3.24Å; R77-I81 WeakPolarHBondContact O-CG1 3.44Å; R77-I81 PolarHBondContact O-N 3.19Å; R77-E106 WeakPolarHBondContact CD-O 3.44Å
78A85.4Confident85.3Confident50 Ų5067.3 Ų67.341%0.41337%0.37SS..Hα-helixtrans-60.2-46.8177.300000112.3Q76 K80 I81 N82Q76-A78 VanDerWaalsContact C-N 3.26Å; Q76-A78 PolarHBondContact O-N 2.7Å; A78-K80 VanDerWaalsContact C-N 3.3Å; A78-K80 PolarHBondContact O-N 2.69Å; A78-I81 PolarHBondContact O-N 3.43Å; A78-N82 PolarHBondContact O-N 3.11Å; A78-N82 PolarHBondContact O-ND2 3.19Å
79T86.8Confident85.1Confident72 Ų7266.6 Ų66.644%0.44237%0.37SS..Hα-helixtrans-62.2-38.7176.2-48.50000111.5Q76 N82 G83Q76-T79 PolarHBondContact O-N 2.76Å; Q76-T79 VanDerWaalsContact O-N 3.08Å; T79-N82 PolarHBondContact O-N 3.5Å; T79-G83 PolarHBondContact O-N 3.46Å
80K85.8Confident84.9Confident13 Ų1372.6 Ų72.66%0.05740%0.396CS..Hα-helixtrans-64-46.4175.1-68.6-162.2177.5-162.70113F69 D72 L75 Q76 R77 A78 N82 G83 I84 L110F69-K80 HydrophobicContact CE1-CB 4.4Å; F69-K80 HydrophobicContact CE1-CG 4.32Å; F69-K80 HydrophobicContact CZ-CB 4.44Å; F69-K80 HydrophobicContact CZ-CG 4.22Å; D72-K80 WeakPolarHBondContact O-CE 3.42Å; D72-K80 PolarHBondContact O-NZ 2.88Å; L75-K80 HydrophobicContact CB-CD 4.38Å; L75-K80 HydrophobicContact CB-CG 3.92Å; Q76-K80 PolarHBondContact O-N 2.85Å; R77-K80 WeakPolarHBondContact O-CB 3.03Å; R77-K80 PolarHBondContact O-N 2.73Å; A78-K80 VanDerWaalsContact C-N 3.3Å; A78-K80 PolarHBondContact O-N 2.69Å; K80-N82 VanDerWaalsContact C-N 3.33Å; K80-N82 PolarHBondContact O-N 2.77Å; K80-G83 PolarHBondContact O-N 2.85Å; K80-I84 WeakPolarHBondContact O-CB 3.48Å; K80-I84 WeakPolarHBondContact O-CG1 3.32Å; K80-I84 PolarHBondContact O-N 3.38Å; K80-L110 HydrophobicContact CB-CD1 4.17Å; K80-L110 HydrophobicContact CD-CD1 3.72Å
81I86.8Confident84.6Confident40 Ų4075.4 Ų75.421%0.20541%0.409CS..Hα-helixtrans-58.9-47.5177.6-66.8159.1000109.9R77 A78 G85 V102 A105 E106R77-I81 WeakPolarHBondContact O-CD1 3.37Å; R77-I81 VanDerWaalsContact O-CG1 3.24Å; R77-I81 WeakPolarHBondContact O-CG1 3.44Å; R77-I81 PolarHBondContact O-N 3.19Å; A78-I81 PolarHBondContact O-N 3.43Å; I81-G85 PolarHBondContact O-N 3.23Å; I81-V102 HydrophobicContact CG2-CG1 4.21Å; I81-A105 HydrophobicContact CB-CB 4.45Å; I81-A105 HydrophobicContact CG1-CB 3.65Å; I81-E106 HydrophobicContact CD1-CB 4.39Å; I81-E106 HydrophobicContact CD1-CG 3.49Å; I81-E106 VanDerWaalsContact CD1-CG 3.49Å; I81-E106 HydrophobicContact CG1-CG 4.08Å
82N87.3Confident84.3Confident103 Ų10380.4 Ų80.455%0.55143%0.427SS*.Hα-helixtrans-64.7-45.2179.5-69.5-23.3000112.2A78 T79 K80 I84 G85 Q86A78-N82 PolarHBondContact O-N 3.11Å; A78-N82 PolarHBondContact O-ND2 3.19Å; T79-N82 PolarHBondContact O-N 3.5Å; K80-N82 VanDerWaalsContact C-N 3.33Å; K80-N82 PolarHBondContact O-N 2.77Å; N82-I84 PolarHBondContact O-N 3.15Å; N82-G85 PolarHBondContact O-N 3.27Å; N82-Q86 WeakPolarHBondContact O-CB 3.4Å; N82-Q86 VanDerWaalsContact O-CG 3.32Å; N82-Q86 WeakPolarHBondContact O-CG 3.23Å; N82-Q86 PolarHBondContact O-N 2.94Å
83G86.1Confident84Confident26 Ų2678.1 Ų78.127%0.26842%0.416SS..Hα-helixtrans-61.9-42.8179.200000112.6T79 K80 A87T79-G83 PolarHBondContact O-N 3.46Å; K80-G83 PolarHBondContact O-N 2.85Å; G83-A87 WeakPolarHBondContact O-CB 3.47Å; G83-A87 PolarHBondContact O-N 3.29Å
84I86.1Confident83.9Confident16 Ų1674.3 Ų74.38%0.08239%0.389CS..Hα-helixtrans-71.9-42.2177.3-71.2166.8000111.3F69 K80 N82 Q86 A87 L88 F101 A105 L110F69-I84 HydrophobicContact CE1-CD1 4.46Å; F69-I84 HydrophobicContact CE1-CG1 4.14Å; K80-I84 WeakPolarHBondContact O-CB 3.48Å; K80-I84 WeakPolarHBondContact O-CG1 3.32Å; K80-I84 PolarHBondContact O-N 3.38Å; N82-I84 PolarHBondContact O-N 3.15Å; I84-Q86 VanDerWaalsContact C-N 3.31Å; I84-Q86 PolarHBondContact O-N 3.19Å; I84-A87 PolarHBondContact O-N 3.28Å; I84-A87 VanDerWaalsContact O-N 3.16Å; I84-L88 HydrophobicContact CG2-CD1 3.6Å; I84-L88 HydrophobicContact CG2-CG 4.11Å; I84-L88 WeakPolarHBondContact O-CB 3.2Å; I84-L88 VanDerWaalsContact O-CG 3.27Å; I84-L88 WeakPolarHBondContact O-CG 3.46Å; I84-L88 PolarHBondContact O-N 3.49Å; I84-F101 HydrophobicContact CG2-CB 3.83Å; I84-F101 HydrophobicContact CG2-CG 4.49Å; I84-A105 HydrophobicContact CD1-CB 4.08Å; I84-L110 HydrophobicContact CD1-CD1 3.29Å; I84-L110 HydrophobicContact CD1-CD2 3.37Å; I84-L110 HydrophobicContact CD1-CG 3.93Å
85G85.1Confident84Confident10 Ų1075.3 Ų75.310%0.10338%0.382CS..Hα-helixtrans-54.7-48.7175.200000111.4I81 N82 A87 L88 D89I81-G85 PolarHBondContact O-N 3.23Å; N82-G85 PolarHBondContact O-N 3.27Å; G85-A87 PolarHBondContact O-N 3.1Å; G85-L88 PolarHBondContact O-N 2.87Å; G85-D89 WeakPolarHBondContact O-CB 3.32Å; G85-D89 PolarHBondContact O-N 3.05Å
86Q85.6Confident84.2Confident127 Ų12772.7 Ų72.759%0.59337%0.369SS*.Hα-helixtrans-63.7-39.8176.4-71.1178.75.900113.1N82 I84 K90N82-Q86 WeakPolarHBondContact O-CB 3.4Å; N82-Q86 VanDerWaalsContact O-CG 3.32Å; N82-Q86 WeakPolarHBondContact O-CG 3.23Å; N82-Q86 PolarHBondContact O-N 2.94Å; I84-Q86 VanDerWaalsContact C-N 3.31Å; I84-Q86 PolarHBondContact O-N 3.19Å; Q86-K90 WeakPolarHBondContact O-CG 3.48Å; Q86-K90 PolarHBondContact O-N 3.07Å
87A84.6Confident84.4Confident34 Ų3466 Ų6628%0.28134%0.338SS..Hα-helixtrans-64.2-41.4177.100000111.8G83 I84 G85 K90 L91G83-A87 WeakPolarHBondContact O-CB 3.47Å; G83-A87 PolarHBondContact O-N 3.29Å; I84-A87 PolarHBondContact O-N 3.28Å; I84-A87 VanDerWaalsContact O-N 3.16Å; G85-A87 PolarHBondContact O-N 3.1Å; A87-K90 PolarHBondContact O-N 3.18Å; A87-L91 PolarHBondContact O-N 2.97Å
88L83.5Confident84.6Confident8 Ų861.1 Ų61.14%0.04232%0.321CS..Hα-helixtrans-73-35.2179.1-68.3175.1000112.6I56 I84 G85 K90 L91 K92 V93 F101I56-L88 HydrophobicContact CD1-CD2 3.67Å; I56-L88 HydrophobicContact CG1-CD2 4.15Å; I84-L88 HydrophobicContact CG2-CD1 3.6Å; I84-L88 HydrophobicContact CG2-CG 4.11Å; I84-L88 WeakPolarHBondContact O-CB 3.2Å; I84-L88 VanDerWaalsContact O-CG 3.27Å; I84-L88 WeakPolarHBondContact O-CG 3.46Å; I84-L88 PolarHBondContact O-N 3.49Å; G85-L88 PolarHBondContact O-N 2.87Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.41Å; L88-L91 CarbonylContact O-C 3.58Å; L88-L91 PolarHBondContact O-N 3.22Å; L88-L91 VanDerWaalsContact O-N 3.1Å; L88-K92 PolarHBondContact O-N 3.12Å; L88-K92 VanDerWaalsContact O-N 3.13Å; L88-V93 HydrophobicContact CB-CG2 3.81Å; L88-V93 HydrophobicContact CD2-CG1 4.29Å; L88-V93 HydrophobicContact CD2-CG2 4.17Å; L88-V93 HydrophobicContact CG-CG2 4.44Å; L88-F101 HydrophobicContact CD1-CB 3.39Å; L88-F101 HydrophobicContact CD1-CD2 3.91Å; L88-F101 HydrophobicContact CD1-CG 3.75Å; L88-F101 HydrophobicContact CD2-CD2 4.25Å
89D82.7Confident84.8Confident86 Ų8662.2 Ų62.246%0.4632%0.32SS..Hα-helixtrans-63.9-36.8175.3-72.9-25.5000111.6G85 L91 K92 K98G85-D89 WeakPolarHBondContact O-CB 3.32Å; G85-D89 PolarHBondContact O-N 3.05Å; D89-L91 VanDerWaalsContact C-N 3.29Å; D89-L91 PolarHBondContact O-N 3.36Å; D89-K92 PolarHBondContact O-N 3.01Å; D89-K98 VanDerWaalsContact CG-NZ 3.3Å; D89-K98 WeakPolarHBondContact OD1-CE 3.4Å; D89-K98 IonicContact OD1-NZ 3.7Å; D89-K98 PolarHBondContact OD1-NZ 3.49Å; D89-K98 IonicContact OD2-NZ 2.59Å; D89-K98 PolarHBondContact OD2-NZ 2.89Å; D89-K98 VanDerWaalsContact OD2-NZ 3.15Å
90K81.2Confident85Confident174 Ų17459.6 Ų59.676%0.75730%0.303SS*.Hα-helixtrans-63.2-35.4172.1-72.2175-178-179.70112.6Q86 A87 L88 K92Q86-K90 WeakPolarHBondContact O-CG 3.48Å; Q86-K90 PolarHBondContact O-N 3.07Å; A87-K90 PolarHBondContact O-N 3.18Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.41Å; K90-K92 VanDerWaalsContact C-N 3.29Å
91L78Confident85.2Confident75 Ų7559.3 Ų59.339%0.39330%0.302SS..Hα-helixtrans-80.2-7.4179.1-67.4175.8000113.4I56 T59 A87 L88 D89 V93I56-L91 HydrophobicContact CG1-CD1 4.37Å; T59-L91 HydrophobicContact CG2-CD1 4.38Å; T59-L91 HydrophobicContact CG2-CD2 4.33Å; A87-L91 PolarHBondContact O-N 2.97Å; L88-L91 CarbonylContact O-C 3.58Å; L88-L91 PolarHBondContact O-N 3.22Å; L88-L91 VanDerWaalsContact O-N 3.1Å; D89-L91 VanDerWaalsContact C-N 3.29Å; D89-L91 PolarHBondContact O-N 3.36Å; L91-V93 VanDerWaalsContact C-N 3.3Å; L91-V93 HydrophobicContact CB-CG1 3.84Å; L91-V93 PolarHBondContact O-N 3.38Å
92K79.3Confident85.4Confident190 Ų19058.8 Ų58.883%0.82630%0.301SS*.THydrogen-bonded Turntrans52.545-178.6-60-177.5179.3179.80113L88 D89 K90L88-K92 PolarHBondContact O-N 3.12Å; L88-K92 VanDerWaalsContact O-N 3.13Å; D89-K92 PolarHBondContact O-N 3.01Å; K90-K92 VanDerWaalsContact C-N 3.29Å
93V78.8Confident85.5Confident23 Ų2357.3 Ų57.314%0.13929%0.292CS..  trans-74.6159.8-179.9-58.70000112.2D52 I56 L88 L91 T97 K98D52-V93 HydrophobicContact CB-CB 4.43Å; D52-V93 HydrophobicContact CB-CG1 4.36Å; I56-V93 HydrophobicContact CD1-CG1 4.23Å; L88-V93 HydrophobicContact CB-CG2 3.81Å; L88-V93 HydrophobicContact CD2-CG1 4.29Å; L88-V93 HydrophobicContact CD2-CG2 4.17Å; L88-V93 HydrophobicContact CG-CG2 4.44Å; L91-V93 VanDerWaalsContact C-N 3.3Å; L91-V93 HydrophobicContact CB-CG1 3.84Å; L91-V93 PolarHBondContact O-N 3.38Å; V93-T97 HydrophobicContact CB-CG2 4.49Å; V93-K98 HydrophobicContact CG2-CB 4.21Å
94N82.3Confident85.7Confident42 Ų4256.1 Ų56.123%0.22528%0.28CS..  trans-65.5156175.5-165.29.2000112.5I49 D52 A96 T97 K98I49-N94 HydrophobicContact CG1-CB 4.44Å; D52-N94 WeakPolarHBondContact OD2-CB 3.4Å; D52-N94 PolarHBondContact OD2-N 2.98Å; N94-A96 PolarHBondContact O-N 3.48Å; N94-T97 WeakPolarHBondContact O-CB 3.28Å; N94-T97 PolarHBondContact O-N 2.91Å; N94-T97 VanDerWaalsContact O-N 3.15Å; N94-K98 PolarHBondContact O-N 2.79Å
95E85.9Confident85.9Confident125 Ų12555.4 Ų55.458%0.58428%0.276SS*.Hα-helixtrans-59.6-43.1-177.4-170.3-173.6173.700112.2T97 K98 N99E95-T97 VanDerWaalsContact C-N 3.32Å; E95-T97 PolarHBondContact O-N 2.95Å; E95-K98 PolarHBondContact O-N 3.14Å; E95-N99 WeakPolarHBondContact O-CB 3.39Å; E95-N99 PolarHBondContact O-N 3.39Å; E95-N99 PolarHBondContact O-ND2 2.91Å
96A86.9Confident86Confident6 Ų659.3 Ų59.35%0.0529%0.292CS..Hα-helixtrans-61.4-39.9177.300000112.6I49 N94 L100I49-A96 HydrophobicContact CD1-CB 3.69Å; I49-A96 HydrophobicContact CG1-CB 4.38Å; N94-A96 PolarHBondContact O-N 3.48Å; A96-L100 PolarHBondContact O-N 3.28Å; A96-L100 VanDerWaalsContact O-N 3.11Å
97T88.6Confident86.2Confident0 Ų056.8 Ų56.80%028%0.282CS..Hα-helixtrans-65.8-48.7176.5-47.30000109.8D52 I53 I56 V93 N94 E95 N99 L100 F101D52-T97 HydrophobicContact CB-CG2 3.99Å; D52-T97 PolarHBondContact OD2-OG1 3.35Å; I53-T97 HydrophobicContact CG1-CG2 4.44Å; I56-T97 HydrophobicContact CD1-CG2 3.66Å; V93-T97 HydrophobicContact CB-CG2 4.49Å; N94-T97 WeakPolarHBondContact O-CB 3.28Å; N94-T97 PolarHBondContact O-N 2.91Å; N94-T97 VanDerWaalsContact O-N 3.15Å; E95-T97 VanDerWaalsContact C-N 3.32Å; E95-T97 PolarHBondContact O-N 2.95Å; T97-N99 VanDerWaalsContact C-N 3.32Å; T97-N99 PolarHBondContact O-N 3.13Å; T97-L100 PolarHBondContact O-N 2.93Å; T97-F101 HydrophobicContact CG2-CD2 4.07Å; T97-F101 HydrophobicContact CG2-CE2 3.85Å; T97-F101 VanDerWaalsContact O-CD2 3.27Å; T97-F101 WeakPolarHBondContact O-CD2 3.32Å; T97-F101 PolarHBondContact O-N 3.42Å
98K89.8Confident86.3Confident64 Ų6457.1 Ų57.128%0.27829%0.289SS..Hα-helixtrans-55.2-47.3176.4-174.1175.2179.6170.30111.8D89 V93 N94 E95 L100 F101 V102D89-K98 VanDerWaalsContact CG-NZ 3.3Å; D89-K98 WeakPolarHBondContact OD1-CE 3.4Å; D89-K98 IonicContact OD1-NZ 3.7Å; D89-K98 PolarHBondContact OD1-NZ 3.49Å; D89-K98 IonicContact OD2-NZ 2.59Å; D89-K98 PolarHBondContact OD2-NZ 2.89Å; D89-K98 VanDerWaalsContact OD2-NZ 3.15Å; V93-K98 HydrophobicContact CG2-CB 4.21Å; N94-K98 PolarHBondContact O-N 2.79Å; E95-K98 PolarHBondContact O-N 3.14Å; K98-L100 VanDerWaalsContact C-N 3.34Å; K98-L100 PolarHBondContact O-N 3.31Å; K98-F101 PolarHBondContact O-N 3.4Å; K98-V102 HydrophobicContact CG-CG2 4.47Å; K98-V102 WeakPolarHBondContact O-CG2 3.45Å; K98-V102 PolarHBondContact O-N 3.07Å
99N90.4Very high86.5Confident73 Ų7360.6 Ų60.639%0.3930%0.301SS..Hα-helixtrans-61.8-39.9179.9-69.7-14.4000112.2E95 T97 F101 V102 I103E95-N99 WeakPolarHBondContact O-CB 3.39Å; E95-N99 PolarHBondContact O-N 3.39Å; E95-N99 PolarHBondContact O-ND2 2.91Å; T97-N99 VanDerWaalsContact C-N 3.32Å; T97-N99 PolarHBondContact O-N 3.13Å; N99-F101 PolarHBondContact O-N 3.47Å; N99-V102 PolarHBondContact O-N 3.39Å; N99-I103 WeakPolarHBondContact O-CD1 3.45Å; N99-I103 WeakPolarHBondContact O-CG1 3.18Å; N99-I103 PolarHBondContact O-N 3.15Å
100L90.6Very high86.7Confident16 Ų1656.6 Ų56.68%0.08428%0.28CS..Hα-helixtrans-59.7-46.8175.5174132000111.7L36 A96 T97 K98 I103 L104 V116L36-L100 HydrophobicContact CB-CD1 3.62Å; L36-L100 HydrophobicContact CD1-CB 4.01Å; L36-L100 HydrophobicContact CD1-CD1 3.87Å; L36-L100 HydrophobicContact CD1-CG 4.5Å; L36-L100 HydrophobicContact CD2-CD1 3.95Å; L36-L100 HydrophobicContact CG-CD1 4Å; A96-L100 PolarHBondContact O-N 3.28Å; A96-L100 VanDerWaalsContact O-N 3.11Å; T97-L100 PolarHBondContact O-N 2.93Å; K98-L100 VanDerWaalsContact C-N 3.34Å; K98-L100 PolarHBondContact O-N 3.31Å; L100-I103 PolarHBondContact O-N 3.05Å; L100-L104 HydrophobicContact CD2-CD1 3.63Å; L100-L104 HydrophobicContact CG-CD1 4.1Å; L100-L104 WeakPolarHBondContact O-CB 3.46Å; L100-L104 VanDerWaalsContact O-CG 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.26Å; L100-L104 PolarHBondContact O-N 2.72Å; L100-V116 HydrophobicContact CD1-CG1 4.4Å
101F89.7Confident86.9Confident7 Ų751.4 Ų51.43%0.03127%0.265CS..Hα-helixtrans-68.1-36.2-179.8-80.7-79000113I56 I84 L88 T97 K98 N99 L104 A105 I113I56-F101 HydrophobicContact CB-CZ 4.35Å; I56-F101 HydrophobicContact CD1-CD2 4.08Å; I56-F101 HydrophobicContact CD1-CE2 3.34Å; I56-F101 HydrophobicContact CD1-CZ 3.82Å; I56-F101 HydrophobicContact CG2-CE1 4.08Å; I56-F101 HydrophobicContact CG2-CE2 4.24Å; I56-F101 HydrophobicContact CG2-CZ 3.55Å; I84-F101 HydrophobicContact CG2-CB 3.83Å; I84-F101 HydrophobicContact CG2-CG 4.49Å; L88-F101 HydrophobicContact CD1-CB 3.39Å; L88-F101 HydrophobicContact CD1-CD2 3.91Å; L88-F101 HydrophobicContact CD1-CG 3.75Å; L88-F101 HydrophobicContact CD2-CD2 4.25Å; T97-F101 HydrophobicContact CG2-CD2 4.07Å; T97-F101 HydrophobicContact CG2-CE2 3.85Å; T97-F101 VanDerWaalsContact O-CD2 3.27Å; T97-F101 WeakPolarHBondContact O-CD2 3.32Å; T97-F101 PolarHBondContact O-N 3.42Å; K98-F101 PolarHBondContact O-N 3.4Å; N99-F101 PolarHBondContact O-N 3.47Å; F101-L104 PolarHBondContact O-N 3.17Å; F101-A105 WeakPolarHBondContact O-CB 3.4Å; F101-A105 PolarHBondContact O-N 3.21Å; F101-I113 HydrophobicContact CD1-CD1 3.99Å; F101-I113 HydrophobicContact CD1-CG1 4.4Å; F101-I113 HydrophobicContact CE1-CD1 3.78Å; F101-I113 HydrophobicContact CE1-CG1 3.99Å; F101-I113 HydrophobicContact CE1-CG2 3.84Å; F101-I113 HydrophobicContact CZ-CG2 4.31Å
102V89.8Confident87.4Confident29 Ų2951.4 Ų51.418%0.17626%0.262CS..Hα-helixtrans-61.9-48.2173172.40000110.5I81 K98 N99 L104 A105 E106I81-V102 HydrophobicContact CG2-CG1 4.21Å; K98-V102 HydrophobicContact CG-CG2 4.47Å; K98-V102 WeakPolarHBondContact O-CG2 3.45Å; K98-V102 PolarHBondContact O-N 3.07Å; N99-V102 PolarHBondContact O-N 3.39Å; V102-L104 VanDerWaalsContact C-N 3.3Å; V102-L104 PolarHBondContact O-N 3.2Å; V102-A105 WeakPolarHBondContact O-CB 3.27Å; V102-A105 PolarHBondContact O-N 2.75Å; V102-A105 VanDerWaalsContact O-N 3.09Å; V102-E106 HydrophobicContact CG1-CG 4.35Å; V102-E106 WeakPolarHBondContact O-CG 3.34Å; V102-E106 PolarHBondContact O-N 3.47Å
103I91.1Very high87.9Confident73 Ų7342.7 Ų42.737%0.37423%0.225SC..Hα-helixtrans-64.3-36.8178.9-63.3163.7000110.9Y32 N99 L100 A105 N107Y32-I103 HydrophobicContact CE1-CG2 3.83Å; N99-I103 WeakPolarHBondContact O-CD1 3.45Å; N99-I103 WeakPolarHBondContact O-CG1 3.18Å; N99-I103 PolarHBondContact O-N 3.15Å; L100-I103 PolarHBondContact O-N 3.05Å; I103-A105 VanDerWaalsContact C-N 3.34Å; I103-N107 VanDerWaalsContact CG2-ND2 3.29Å; I103-N107 WeakPolarHBondContact CG2-ND2 3.42Å; I103-N107 WeakPolarHBondContact O-CB 3.38Å; I103-N107 PolarHBondContact O-N 2.73Å; I103-N107 PolarHBondContact O-ND2 2.84Å
104L90.3Very high88.4Confident1 Ų144.4 Ų44.41%0.00523%0.233CC..Hα-helixtrans-65.4-38.3174.2-74.5173.5000111.8Y32 L100 F101 V102 G108 R109 L110 I113 V116Y32-L104 HydrophobicContact CD1-CD2 3.95Å; Y32-L104 HydrophobicContact CD1-CG 4.47Å; Y32-L104 HydrophobicContact CD2-CD2 3.75Å; Y32-L104 HydrophobicContact CE1-CD2 3.96Å; Y32-L104 HydrophobicContact CE2-CD2 3.76Å; Y32-L104 HydrophobicContact CG-CD2 3.86Å; L100-L104 HydrophobicContact CD2-CD1 3.63Å; L100-L104 HydrophobicContact CG-CD1 4.1Å; L100-L104 WeakPolarHBondContact O-CB 3.46Å; L100-L104 VanDerWaalsContact O-CG 3.31Å; L100-L104 WeakPolarHBondContact O-CG 3.26Å; L100-L104 PolarHBondContact O-N 2.72Å; F101-L104 PolarHBondContact O-N 3.17Å; V102-L104 VanDerWaalsContact C-N 3.3Å; V102-L104 PolarHBondContact O-N 3.2Å; L104-G108 PolarHBondContact O-N 2.67Å; L104-G108 VanDerWaalsContact O-N 3.17Å; L104-R109 HydrophobicContact CD2-CB 4.05Å; L104-R109 PolarHBondContact O-N 3.33Å; L104-L110 HydrophobicContact CB-CD2 3.92Å; L104-I113 HydrophobicContact CD1-CG1 4.01Å; L104-V116 HydrophobicContact CD2-CG2 4.46Å
105A89.2Confident88.9Confident0 Ų045.1 Ų45.10%024%0.241CC..Hα-helixtrans-67.8-45.1175.900000112.4I81 I84 F101 V102 I103 N107 G108 L110I81-A105 HydrophobicContact CB-CB 4.45Å; I81-A105 HydrophobicContact CG1-CB 3.65Å; I84-A105 HydrophobicContact CD1-CB 4.08Å; F101-A105 WeakPolarHBondContact O-CB 3.4Å; F101-A105 PolarHBondContact O-N 3.21Å; V102-A105 WeakPolarHBondContact O-CB 3.27Å; V102-A105 PolarHBondContact O-N 2.75Å; V102-A105 VanDerWaalsContact O-N 3.09Å; I103-A105 VanDerWaalsContact C-N 3.34Å; A105-N107 VanDerWaalsContact C-N 3.33Å; A105-N107 PolarHBondContact O-N 2.95Å; A105-G108 PolarHBondContact O-N 3.35Å; A105-G108 VanDerWaalsContact O-N 3.07Å; A105-L110 HydrophobicContact CB-CD1 3.82Å; A105-L110 HydrophobicContact CB-CD2 4.05Å; A105-L110 HydrophobicContact CB-CG 4.18Å
106E88.6Confident89.2Confident93 Ų9339.4 Ų39.444%0.43522%0.215SC..Hα-helixtrans-59-43.5176.3-75.1174.6173.800112.3R77 I81 V102 G108R77-E106 WeakPolarHBondContact CD-O 3.44Å; I81-E106 HydrophobicContact CD1-CB 4.39Å; I81-E106 HydrophobicContact CD1-CG 3.49Å; I81-E106 VanDerWaalsContact CD1-CG 3.49Å; I81-E106 HydrophobicContact CG1-CG 4.08Å; V102-E106 HydrophobicContact CG1-CG 4.35Å; V102-E106 WeakPolarHBondContact O-CG 3.34Å; V102-E106 PolarHBondContact O-N 3.47Å; E106-G108 PolarHBondContact O-N 3.42Å
107N89Confident89.4Confident73 Ų7339.4 Ų39.439%0.3921%0.214SC..THydrogen-bonded Turntrans-79.7-3.8178.8-72.1-65.3000113.2Y32 I103 A105 R109Y32-N107 PolarHBondContact OH-ND2 2.93Å; Y32-N107 VanDerWaalsContact OH-ND2 3.16Å; I103-N107 VanDerWaalsContact CG2-ND2 3.29Å; I103-N107 WeakPolarHBondContact CG2-ND2 3.42Å; I103-N107 WeakPolarHBondContact O-CB 3.38Å; I103-N107 PolarHBondContact O-N 2.73Å; I103-N107 PolarHBondContact O-ND2 2.84Å; A105-N107 VanDerWaalsContact C-N 3.33Å; A105-N107 PolarHBondContact O-N 2.95Å; N107-R109 VanDerWaalsContact C-N 3.28Å; N107-R109 HydrophobicContact CB-CG 4.08Å; N107-R109 PolarHBondContact O-N 3.28Å
108G85.8Confident89.6Confident41 Ų4142.6 Ų42.642%0.42323%0.231SC..THydrogen-bonded Turntrans66.126.1-177.600000114L104 A105 E106L104-G108 PolarHBondContact O-N 2.67Å; L104-G108 VanDerWaalsContact O-N 3.17Å; A105-G108 PolarHBondContact O-N 3.35Å; A105-G108 VanDerWaalsContact O-N 3.07Å; E106-G108 PolarHBondContact O-N 3.42Å
109R87.9Confident89.7Confident82 Ų8242.7 Ų42.731%0.30923%0.232SC..  trans-103.520.1-174.8-62.6-179.3-171.8163.1-2.5113.6Y32 L104 N107 S111 K112Y32-R109 WeakPolarHBondContact OH-CD 3.49Å; Y32-R109 PolarHBondContact OH-NH1 2.93Å; L104-R109 HydrophobicContact CD2-CB 4.05Å; L104-R109 PolarHBondContact O-N 3.33Å; N107-R109 VanDerWaalsContact C-N 3.28Å; N107-R109 HydrophobicContact CB-CG 4.08Å; N107-R109 PolarHBondContact O-N 3.28Å; R109-S111 PolarHBondContact O-N 3.48Å; R109-K112 PolarHBondContact O-N 2.93Å; R109-K112 VanDerWaalsContact O-N 3.1Å
110L86.4Confident89.8Confident2 Ų239.3 Ų39.31%0.0121%0.213CC..G310 helixtrans-63-27.8-179-66.7165.8000113.4C70 K80 I84 L104 A105 K112 I113C70-L110 HydrophobicContact CB-CB 4.3Å; K80-L110 HydrophobicContact CB-CD1 4.17Å; K80-L110 HydrophobicContact CD-CD1 3.72Å; I84-L110 HydrophobicContact CD1-CD1 3.29Å; I84-L110 HydrophobicContact CD1-CD2 3.37Å; I84-L110 HydrophobicContact CD1-CG 3.93Å; L104-L110 HydrophobicContact CB-CD2 3.92Å; A105-L110 HydrophobicContact CB-CD1 3.82Å; A105-L110 HydrophobicContact CB-CD2 4.05Å; A105-L110 HydrophobicContact CB-CG 4.18Å; L110-K112 PolarHBondContact O-N 3.25Å; L110-K112 VanDerWaalsContact O-N 3.1Å; L110-I113 HydrophobicContact CB-CD1 3.99Å; L110-I113 HydrophobicContact CD2-CD1 3.49Å; L110-I113 VanDerWaalsContact CD2-CD1 3.49Å; L110-I113 HydrophobicContact CD2-CG1 4.27Å; L110-I113 HydrophobicContact CG-CD1 4.37Å; L110-I113 WeakPolarHBondContact O-CB 3.34Å; L110-I113 VanDerWaalsContact O-CD1 3.28Å; L110-I113 WeakPolarHBondContact O-CD1 3.42Å; L110-I113 WeakPolarHBondContact O-CG1 3.5Å; L110-I113 PolarHBondContact O-N 2.79Å; L110-I113 VanDerWaalsContact O-N 3.12Å
111S86.9Confident89.8Confident64 Ų6441.3 Ų41.345%0.44822%0.222SC..G310 helixtrans-59.6-22.7174.856.20000113.5C70 R109C70-S111 PolarHBondContact O-N 2.85Å; R109-S111 PolarHBondContact O-N 3.48Å
112K87.9Confident89.8Confident76 Ų7645.6 Ų45.633%0.3324%0.242SC..G310 helixtrans-97.98.3-178.1-65.7176.8161.4-135.80113.5E29 R109 L110 N114 S115 V116E29-K112 HydrophobicContact CG-CB 4.34Å; E29-K112 VanDerWaalsContact OE1-CD 3.29Å; E29-K112 WeakPolarHBondContact OE1-CD 3.35Å; E29-K112 WeakPolarHBondContact OE1-CE 3.26Å; E29-K112 IonicContact OE1-NZ 2.65Å; E29-K112 PolarHBondContact OE1-NZ 3.35Å; R109-K112 PolarHBondContact O-N 2.93Å; R109-K112 VanDerWaalsContact O-N 3.1Å; L110-K112 PolarHBondContact O-N 3.25Å; L110-K112 VanDerWaalsContact O-N 3.1Å; K112-N114 VanDerWaalsContact C-N 3.31Å; K112-N114 PolarHBondContact O-N 2.8Å; K112-S115 PolarHBondContact O-N 2.82Å; K112-S115 VanDerWaalsContact O-N 3.15Å; K112-V116 WeakPolarHBondContact O-CG2 3.5Å; K112-V116 PolarHBondContact O-N 3.22Å
113I89.9Confident89.9Confident7 Ų744.2 Ų44.24%0.03623%0.234CC..Hα-helixtrans-53.1-48-178-78.1164.1000111.5L60 F101 L104 L110 S115 V116 I117L60-I113 HydrophobicContact CD1-CG2 3.61Å; F101-I113 HydrophobicContact CD1-CD1 3.99Å; F101-I113 HydrophobicContact CD1-CG1 4.4Å; F101-I113 HydrophobicContact CE1-CD1 3.78Å; F101-I113 HydrophobicContact CE1-CG1 3.99Å; F101-I113 HydrophobicContact CE1-CG2 3.84Å; F101-I113 HydrophobicContact CZ-CG2 4.31Å; L104-I113 HydrophobicContact CD1-CG1 4.01Å; L110-I113 HydrophobicContact CB-CD1 3.99Å; L110-I113 HydrophobicContact CD2-CD1 3.49Å; L110-I113 VanDerWaalsContact CD2-CD1 3.49Å; L110-I113 HydrophobicContact CD2-CG1 4.27Å; L110-I113 HydrophobicContact CG-CD1 4.37Å; L110-I113 WeakPolarHBondContact O-CB 3.34Å; L110-I113 VanDerWaalsContact O-CD1 3.28Å; L110-I113 WeakPolarHBondContact O-CD1 3.42Å; L110-I113 WeakPolarHBondContact O-CG1 3.5Å; L110-I113 PolarHBondContact O-N 2.79Å; L110-I113 VanDerWaalsContact O-N 3.12Å; I113-S115 VanDerWaalsContact C-N 3.27Å; I113-S115 PolarHBondContact O-N 3.35Å; I113-V116 WeakPolarHBondContact O-CB 3.45Å; I113-V116 PolarHBondContact O-N 3.08Å; I113-I117 HydrophobicContact CG2-CD1 3.62Å; I113-I117 HydrophobicContact CG2-CG1 4.2Å; I113-I117 WeakPolarHBondContact O-CG1 3.43Å; I113-I117 PolarHBondContact O-N 2.91Å
114N89.9Confident89.8Confident58 Ų5840.9 Ų40.931%0.3122%0.217SC..Hα-helixtrans-57.1-44.1-178.1-68.5-27.5000111.4K112 I117 D118K112-N114 VanDerWaalsContact C-N 3.31Å; K112-N114 PolarHBondContact O-N 2.8Å; N114-I117 WeakPolarHBondContact O-CB 3.29Å; N114-I117 PolarHBondContact O-N 3.36Å; N114-D118 VanDerWaalsContact O-CG 3.27Å; N114-D118 PolarHBondContact O-N 3.37Å
115S91.6Very high89.7Confident58 Ų5842.4 Ų42.441%0.40623%0.226SC..Hα-helixtrans-68.7-34.7178.1-52.80000112.8K112 I113 I117 K119K112-S115 PolarHBondContact O-N 2.82Å; K112-S115 VanDerWaalsContact O-N 3.15Å; I113-S115 VanDerWaalsContact C-N 3.27Å; I113-S115 PolarHBondContact O-N 3.35Å; S115-I117 VanDerWaalsContact C-N 3.35Å; S115-K119 WeakPolarHBondContact O-CG 3.33Å; S115-K119 PolarHBondContact O-N 3.05Å
116V92.4Very high89.5Confident4 Ų443.8 Ų43.82%0.02424%0.238CC..Hα-helixtrans-63.4-42.8172.6175.90000110.7E29 L100 L104 K112 I113 K119 F120E29-V116 HydrophobicContact CB-CG2 3.96Å; E29-V116 HydrophobicContact CG-CG2 4.22Å; L100-V116 HydrophobicContact CD1-CG1 4.4Å; L104-V116 HydrophobicContact CD2-CG2 4.46Å; K112-V116 WeakPolarHBondContact O-CG2 3.5Å; K112-V116 PolarHBondContact O-N 3.22Å; I113-V116 WeakPolarHBondContact O-CB 3.45Å; I113-V116 PolarHBondContact O-N 3.08Å; V116-K119 PolarHBondContact O-N 2.98Å; V116-F120 WeakPolarHBondContact O-CB 3.5Å; V116-F120 PolarHBondContact O-N 2.89Å
117I92.3Very high89.3Confident6 Ų645.1 Ų45.13%0.03124%0.24CC..Hα-helixtrans-62-48.3177.9-68.1172.9000110.4I53 K57 I113 N114 S115 K119 F120 E121I53-I117 HydrophobicContact CG2-CB 4.23Å; I53-I117 HydrophobicContact CG2-CG1 3.98Å; I53-I117 HydrophobicContact CG2-CG2 3.6Å; K57-I117 HydrophobicContact CB-CD1 4.3Å; K57-I117 HydrophobicContact CB-CG2 4.27Å; K57-I117 HydrophobicContact CD-CG2 3.78Å; K57-I117 HydrophobicContact CG-CG2 4.18Å; I113-I117 HydrophobicContact CG2-CD1 3.62Å; I113-I117 HydrophobicContact CG2-CG1 4.2Å; I113-I117 WeakPolarHBondContact O-CG1 3.43Å; I113-I117 PolarHBondContact O-N 2.91Å; N114-I117 WeakPolarHBondContact O-CB 3.29Å; N114-I117 PolarHBondContact O-N 3.36Å; S115-I117 VanDerWaalsContact C-N 3.35Å; I117-K119 VanDerWaalsContact C-N 3.3Å; I117-K119 PolarHBondContact O-N 2.92Å; I117-F120 WeakPolarHBondContact O-CB 3.22Å; I117-F120 PolarHBondContact O-N 3.43Å; I117-F120 VanDerWaalsContact O-N 3.08Å; I117-E121 PolarHBondContact O-N 3.44Å
118D91.7Very high89.1Confident68 Ų6846.3 Ų46.336%0.36424%0.239SC..Hα-helixtrans-62.7-37.7179.5-63.6-28.6000111.7K57 N114 E121 Q122K57-D118 IonicContact NZ-OD1 2.76Å; K57-D118 PolarHBondContact NZ-OD1 2.94Å; N114-D118 VanDerWaalsContact O-CG 3.27Å; N114-D118 PolarHBondContact O-N 3.37Å; D118-E121 PolarHBondContact O-N 2.86Å; D118-Q122 WeakPolarHBondContact O-CG 3.32Å; D118-Q122 PolarHBondContact O-N 3.47Å
119K92.7Very high88.9Confident66 Ų6645.3 Ų45.329%0.28723%0.229SC..Hα-helixtrans-67.4-36.1173-68.9-45.2-173.2-173.60112.8V25 E29 A33 S115 V116 I117 Q122 I123V25-K119 HydrophobicContact CB-CD 4.49Å; V25-K119 HydrophobicContact CG1-CB 4.43Å; V25-K119 HydrophobicContact CG1-CD 4.24Å; E29-K119 HydrophobicContact CB-CG 4.18Å; A33-K119 HydrophobicContact CB-CB 3.92Å; S115-K119 WeakPolarHBondContact O-CG 3.33Å; S115-K119 PolarHBondContact O-N 3.05Å; V116-K119 PolarHBondContact O-N 2.98Å; I117-K119 VanDerWaalsContact C-N 3.3Å; I117-K119 PolarHBondContact O-N 2.92Å; K119-Q122 VanDerWaalsContact NZ-OE1 3.09Å; K119-Q122 WeakPolarHBondContact O-CB 3.41Å; K119-Q122 PolarHBondContact O-N 3.24Å; K119-I123 WeakPolarHBondContact O-CG1 3.49Å; K119-I123 PolarHBondContact O-N 3.27Å; K119-I123 VanDerWaalsContact O-N 3.14Å
120F92.3Very high88.7Confident2 Ų242.9 Ų42.91%0.00922%0.221CC..Hα-helixtrans-67.7-41.5175.5-177.4-98.8000111.9A33 L36 I49 I53 V116 I117 Q122 I123 M124A33-F120 HydrophobicContact CB-CB 4.22Å; L36-F120 HydrophobicContact CB-CD2 4.36Å; L36-F120 HydrophobicContact CB-CE2 4.38Å; L36-F120 HydrophobicContact CD2-CD1 4.3Å; L36-F120 HydrophobicContact CD2-CD2 3.31Å; L36-F120 HydrophobicContact CD2-CE1 4.36Å; L36-F120 HydrophobicContact CD2-CE2 3.39Å; L36-F120 HydrophobicContact CD2-CG 3.79Å; L36-F120 HydrophobicContact CD2-CZ 3.93Å; L36-F120 HydrophobicContact CG-CD2 4.09Å; L36-F120 HydrophobicContact CG-CE2 3.84Å; I49-F120 HydrophobicContact CG2-CE1 4.39Å; I49-F120 HydrophobicContact CG2-CZ 3.95Å; I53-F120 HydrophobicContact CD1-CD1 3.36Å; I53-F120 HydrophobicContact CD1-CD2 4.48Å; I53-F120 HydrophobicContact CD1-CE1 3.4Å; I53-F120 HydrophobicContact CD1-CG 3.93Å; I53-F120 HydrophobicContact CD1-CZ 4Å; I53-F120 HydrophobicContact CG2-CD1 4.4Å; V116-F120 WeakPolarHBondContact O-CB 3.5Å; V116-F120 PolarHBondContact O-N 2.89Å; I117-F120 WeakPolarHBondContact O-CB 3.22Å; I117-F120 PolarHBondContact O-N 3.43Å; I117-F120 VanDerWaalsContact O-N 3.08Å; F120-Q122 VanDerWaalsContact C-N 3.3Å; F120-Q122 PolarHBondContact O-N 3.26Å; F120-I123 PolarHBondContact O-N 2.98Å; F120-I123 VanDerWaalsContact O-N 3.13Å; F120-M124 HydrophobicContact CD1-CG 3.98Å; F120-M124 HydrophobicContact CE1-CG 3.48Å; F120-M124 VanDerWaalsContact CE1-CG 3.48Å; F120-M124 HydrophobicContact CE1-SD 4.15Å; F120-M124 HydrophobicContact CE2-CG 4.38Å; F120-M124 HydrophobicContact CE2-SD 4.47Å; F120-M124 HydrophobicContact CZ-CG 3.73Å; F120-M124 HydrophobicContact CZ-SD 3.82Å; F120-M124 WeakPolarHBondContact O-CG 3.38Å; F120-M124 PolarHBondContact O-N 3.18Å
121E90.8Very high88.6Confident57 Ų5744 Ų4427%0.26623%0.228SC..Hα-helixtrans-57.9-43.5172.7-73.5174.2-171.100111.1K57 I117 D118 I123 M124 T125K57-E121 WeakPolarHBondContact CD-OE1 3.34Å; K57-E121 IonicContact NZ-OE1 3.15Å; K57-E121 PolarHBondContact NZ-OE1 3.26Å; K57-E121 IonicContact NZ-OE2 2.74Å; K57-E121 PolarHBondContact NZ-OE2 3.43Å; I117-E121 PolarHBondContact O-N 3.44Å; D118-E121 PolarHBondContact O-N 2.86Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 2.91Å; E121-M124 PolarHBondContact O-N 3.47Å; E121-M124 VanDerWaalsContact O-N 3.12Å; E121-T125 PolarHBondContact O-N 3.29Å; E121-T125 PolarHBondContact O-OG1 2.82Å; E121-T125 VanDerWaalsContact O-OG1 3.11Å
122Q89.9Confident88.5Confident97 Ų9745.1 Ų45.145%0.45323%0.228SC..Hα-helixtrans-57.7-42.2174.3-72.7176.5-2.800112.8D118 K119 F120 A126D118-Q122 WeakPolarHBondContact O-CG 3.32Å; D118-Q122 PolarHBondContact O-N 3.47Å; K119-Q122 VanDerWaalsContact NZ-OE1 3.09Å; K119-Q122 WeakPolarHBondContact O-CB 3.41Å; K119-Q122 PolarHBondContact O-N 3.24Å; F120-Q122 VanDerWaalsContact C-N 3.3Å; F120-Q122 PolarHBondContact O-N 3.26Å; Q122-A126 WeakPolarHBondContact O-CB 3.35Å; Q122-A126 PolarHBondContact O-N 3.5Å; Q122-A126 VanDerWaalsContact O-N 3.15Å
123I90.9Very high88.5Confident0 Ų041.5 Ų41.50%021%0.213CC..Hα-helixtrans-65.1-41.5176-64.1170000110.8P21 V25 A33 Y37 K119 F120 E121 A126 Y127P21-I123 HydrophobicContact CB-CD1 4.2Å; P21-I123 HydrophobicContact CB-CG1 4.26Å; P21-I123 HydrophobicContact CB-CG2 3.81Å; V25-I123 HydrophobicContact CG1-CD1 4.47Å; V25-I123 HydrophobicContact CG1-CG1 3.99Å; V25-I123 HydrophobicContact CG2-CD1 3.72Å; V25-I123 HydrophobicContact CG2-CG1 4.11Å; A33-I123 HydrophobicContact CB-CD1 3.76Å; Y37-I123 HydrophobicContact CD1-CG2 4.29Å; Y37-I123 HydrophobicContact CD2-CG2 3.49Å; Y37-I123 VanDerWaalsContact CD2-CG2 3.49Å; Y37-I123 HydrophobicContact CE2-CG2 3.93Å; Y37-I123 HydrophobicContact CG-CG2 3.69Å; K119-I123 WeakPolarHBondContact O-CG1 3.49Å; K119-I123 PolarHBondContact O-N 3.27Å; K119-I123 VanDerWaalsContact O-N 3.14Å; F120-I123 PolarHBondContact O-N 2.98Å; F120-I123 VanDerWaalsContact O-N 3.13Å; E121-I123 VanDerWaalsContact C-N 3.33Å; E121-I123 PolarHBondContact O-N 2.91Å; I123-A126 PolarHBondContact O-N 3.22Å; I123-Y127 WeakPolarHBondContact O-CB 3.49Å; I123-Y127 PolarHBondContact O-N 3.31Å
124M89.5Confident88.5Confident4 Ų443.5 Ų43.52%0.0223%0.225CC..Hα-helixtrans-68.2-43.2-178.7-73.1-58.3-66.100112.6L46 E50 F120 E121 A126 Y127 R128L46-M124 HydrophobicContact CB-CE 4.27Å; L46-M124 HydrophobicContact CD2-SD 4.14Å; E50-M124 HydrophobicContact CB-CE 4.26Å; E50-M124 VanDerWaalsContact OE2-CE 3.23Å; E50-M124 WeakPolarHBondContact OE2-CE 3.48Å; F120-M124 HydrophobicContact CD1-CG 3.98Å; F120-M124 HydrophobicContact CE1-CG 3.48Å; F120-M124 VanDerWaalsContact CE1-CG 3.48Å; F120-M124 HydrophobicContact CE1-SD 4.15Å; F120-M124 HydrophobicContact CE2-CG 4.38Å; F120-M124 HydrophobicContact CE2-SD 4.47Å; F120-M124 HydrophobicContact CZ-CG 3.73Å; F120-M124 HydrophobicContact CZ-SD 3.82Å; F120-M124 WeakPolarHBondContact O-CG 3.38Å; F120-M124 PolarHBondContact O-N 3.18Å; E121-M124 PolarHBondContact O-N 3.47Å; E121-M124 VanDerWaalsContact O-N 3.12Å; M124-A126 VanDerWaalsContact C-N 3.29Å; M124-A126 PolarHBondContact O-N 3.38Å; M124-Y127 PolarHBondContact O-N 2.91Å; M124-R128 WeakPolarHBondContact O-CG 3.46Å; M124-R128 PolarHBondContact O-N 3.35Å
125T87.2Confident88.6Confident33 Ų3340.7 Ų40.720%0.20221%0.211CC..Hα-helixtrans-56.8-45.7172.6-61.40000110.3E121 Y127 R128 G129 E130E121-T125 PolarHBondContact O-N 3.29Å; E121-T125 PolarHBondContact O-OG1 2.82Å; E121-T125 VanDerWaalsContact O-OG1 3.11Å; T125-Y127 PolarHBondContact O-N 3.4Å; T125-R128 PolarHBondContact O-N 2.91Å; T125-G129 PolarHBondContact O-N 2.97Å; T125-E130 HydrophobicContact CG2-CB 3.73Å; T125-E130 VanDerWaalsContact CG2-O 3.29Å; T125-E130 WeakPolarHBondContact CG2-O 3.43Å; T125-E130 PolarHBondContact O-N 2.86Å
126A85.9Confident88.6Confident29 Ų2942.9 Ų42.924%0.2421%0.21CC..Hα-helixtrans-65.6-38.5176.100000113.5P22 V23 Q122 I123 M124 R128 G129P22-A126 HydrophobicContact CB-CB 4.37Å; P22-A126 HydrophobicContact CG-CB 3.91Å; V23-A126 HydrophobicContact CB-CB 4.06Å; V23-A126 HydrophobicContact CG2-CB 3.37Å; Q122-A126 WeakPolarHBondContact O-CB 3.35Å; Q122-A126 PolarHBondContact O-N 3.5Å; Q122-A126 VanDerWaalsContact O-N 3.15Å; I123-A126 PolarHBondContact O-N 3.22Å; M124-A126 VanDerWaalsContact C-N 3.29Å; M124-A126 PolarHBondContact O-N 3.38Å; A126-R128 VanDerWaalsContact C-N 3.34Å; A126-R128 PolarHBondContact O-N 3.23Å; A126-G129 PolarHBondContact O-N 3.15Å; A126-G129 VanDerWaalsContact O-N 3.13Å
127Y85.5Confident88.6Confident121 Ų12143.1 Ų43.148%0.47521%0.211SC..Hα-helixtrans-63.8-38.8177.7175.3-107.2000112.5Y37 L46 I123 M124 T125 G129Y37-Y127 HydrophobicContact CE2-CD2 4.11Å; Y37-Y127 HydrophobicContact CE2-CG 4.14Å; Y37-Y127 WeakPolarHBondContact OH-CD2 3.39Å; Y37-Y127 WeakPolarHBondContact OH-CE2 3.27Å; L46-Y127 HydrophobicContact CD1-CD1 4.3Å; L46-Y127 HydrophobicContact CD1-CE1 3.67Å; L46-Y127 HydrophobicContact CD1-CE2 4.44Å; I123-Y127 WeakPolarHBondContact O-CB 3.49Å; I123-Y127 PolarHBondContact O-N 3.31Å; M124-Y127 PolarHBondContact O-N 2.91Å; T125-Y127 PolarHBondContact O-N 3.4Å; Y127-G129 PolarHBondContact O-N 3.38Å
128R83.9Confident88.4Confident97 Ų9743.7 Ų43.737%0.36622%0.217SC..THydrogen-bonded Turntrans-74.7-8.1175.6-67.6-178.2179174.83.1113.6E50 M124 T125 A126 E130E50-R128 IonicContact OE1-CZ 3.29Å; E50-R128 IonicContact OE1-NH1 3.41Å; E50-R128 IonicContact OE1-NH2 2.75Å; E50-R128 PolarHBondContact OE1-NH2 3.36Å; E50-R128 IonicContact OE2-CZ 2.91Å; E50-R128 IonicContact OE2-NE 3.47Å; E50-R128 IonicContact OE2-NH2 3.33Å; E50-R128 PolarHBondContact OE2-NH2 3.2Å; M124-R128 WeakPolarHBondContact O-CG 3.46Å; M124-R128 PolarHBondContact O-N 3.35Å; T125-R128 PolarHBondContact O-N 2.91Å; A126-R128 VanDerWaalsContact C-N 3.34Å; A126-R128 PolarHBondContact O-N 3.23Å; R128-E130 HydrophobicContact CB-CB 4.48Å; R128-E130 HydrophobicContact CB-CG 3.84Å; R128-E130 WeakPolarHBondContact CD-OE1 3.42Å; R128-E130 IonicContact NH1-OE1 3.96Å; R128-E130 PolarHBondContact NH1-OE1 3.21Å; R128-E130 PolarHBondContact O-N 3Å
129G81.8Confident88.2Confident21 Ų2148.3 Ų48.322%0.21623%0.234CC..THydrogen-bonded Turntrans66.526.1-170.100000112.2T125 A126 Y127 E161 K162T125-G129 PolarHBondContact O-N 2.97Å; A126-G129 PolarHBondContact O-N 3.15Å; A126-G129 VanDerWaalsContact O-N 3.13Å; Y127-G129 PolarHBondContact O-N 3.38Å; G129-E161 CarbonylContact O-C 3.48Å; G129-E161 WeakPolarHBondContact O-CA 3.42Å; G129-K162 PolarHBondContact O-N 3.2Å
130E84.2Confident88Confident31 Ų3149.8 Ų49.815%0.14525%0.25CS..EExtended strand (participates in β ladder)trans-77.7126.6177.9-75.3171.8-171.900109.8T125 R128 K162 Q164T125-E130 HydrophobicContact CG2-CB 3.73Å; T125-E130 VanDerWaalsContact CG2-O 3.29Å; T125-E130 WeakPolarHBondContact CG2-O 3.43Å; T125-E130 PolarHBondContact O-N 2.86Å; R128-E130 HydrophobicContact CB-CB 4.48Å; R128-E130 HydrophobicContact CB-CG 3.84Å; R128-E130 WeakPolarHBondContact CD-OE1 3.42Å; R128-E130 IonicContact NH1-OE1 3.96Å; R128-E130 PolarHBondContact NH1-OE1 3.21Å; R128-E130 PolarHBondContact O-N 3Å; E130-K162 CarbonylContact C-O 3.6Å; E130-K162 VanDerWaalsContact CA-O 3.23Å; E130-K162 WeakPolarHBondContact CA-O 3.18Å; E130-K162 HydrophobicContact CG-CB 4.02Å; E130-Q164 HydrophobicContact CB-CG 4.23Å; E130-Q164 HydrophobicContact CG-CG 4.32Å; E130-Q164 PolarHBondContact OE2-NE2 3.06Å
131V82.9Confident87.5Confident26 Ų2651.8 Ų51.816%0.15826%0.261CS..EExtended strand (participates in β ladder)trans-106.9119.7176.4-179.40000108.4C133 L157 E161 K162 Q164 I181V131-C133 PolarHBondContact O-N 3.29Å; V131-L157 HydrophobicContact CB-CD2 3.95Å; V131-L157 HydrophobicContact CG1-CD2 4.09Å; V131-L157 HydrophobicContact CG2-CD2 4.04Å; V131-E161 HydrophobicContact CG2-CB 4.01Å; V131-E161 HydrophobicContact CG2-CG 4.03Å; V131-K162 PolarHBondContact N-O 3.49Å; V131-Q164 PolarHBondContact O-N 2.89Å; V131-I181 HydrophobicContact CG1-CG2 3.79Å
132N84.6Confident87.4Confident86 Ų8653.7 Ų53.746%0.4627%0.273SS..EExtended strand (participates in β ladder)trans-71.6124175.9-67.8-9.3000109.6G182N132-G182 PolarHBondContact O-N 3.37Å; N132-G182 VanDerWaalsContact O-N 3.17Å
133C88.6Confident87.3Confident0 Ų056.8 Ų56.80%029%0.285CS..EExtended strand (participates in β ladder)trans-124.1114.4177.4179.10000110V131 L163 Q164 L165 T166 S180V131-C133 PolarHBondContact O-N 3.29Å; C133-L163 HydrophobicContact CB-CD2 3.52Å; C133-L163 HydrophobicContact CB-CG 4.09Å; C133-Q164 PolarHBondContact N-O 3.4Å; C133-L165 HydrophobicContact CB-CD2 3.98Å; C133-T166 PolarHBondContact O-N 3.4Å; C133-S180 CarbonylContact C-O 3.56Å; C133-S180 VanDerWaalsContact CA-O 3.23Å; C133-S180 WeakPolarHBondContact CA-O 3.46Å
134T90.8Very high87.3Confident49 Ų4960.6 Ų60.630%0.30131%0.308SS..EExtended strand (participates in β ladder)trans-96.6126.117357.80000109.5T166 V179 S180T134-T166 WeakPolarHBondContact CA-O 3.29Å; T134-V179 WeakPolarHBondContact O-CA 3.44Å; T134-S180 PolarHBondContact N-O 3.11Å; T134-S180 PolarHBondContact O-N 2.87Å; T134-S180 VanDerWaalsContact OG1-CB 3.3Å; T134-S180 WeakPolarHBondContact OG1-CB 3.44Å
135V91.4Very high87.2Confident0 Ų064.6 Ų64.60%033%0.329CS..EExtended strand (participates in β ladder)trans-118.2118.1177.9-179.50000107.7T137 L149 L153 L165 T166 L167 E168 V178 V179V135-T137 HydrophobicContact CG1-CG2 3.99Å; V135-L149 HydrophobicContact CB-CD2 4.27Å; V135-L149 HydrophobicContact CG1-CD2 3.77Å; V135-L149 HydrophobicContact CG2-CD2 3.88Å; V135-L153 HydrophobicContact CG2-CD1 4.12Å; V135-L165 HydrophobicContact CG2-CD2 3.96Å; V135-T166 PolarHBondContact N-O 3.19Å; V135-L167 HydrophobicContact CB-CD2 3.86Å; V135-L167 HydrophobicContact CG1-CD2 4.32Å; V135-L167 HydrophobicContact CG2-CD2 4.41Å; V135-E168 PolarHBondContact O-N 2.91Å; V135-V178 CarbonylContact C-O 3.47Å; V135-V178 WeakPolarHBondContact CA-O 3.38Å; V135-V179 HydrophobicContact CG1-CG2 4.34Å; V135-V179 HydrophobicContact CG2-CG1 4.25Å; V135-V179 HydrophobicContact CG2-CG2 4.36Å
136R92Very high87.2Confident104 Ų10464.9 Ų64.939%0.39233%0.328SS..EExtended strand (participates in β ladder)trans-100.8124.2174.9-72.8178.5158.2-153.1-10110.7E168 D170 I173 M177 V178R136-E168 CarbonylContact C-O 3.52Å; R136-E168 VanDerWaalsContact CA-O 3.26Å; R136-E168 WeakPolarHBondContact CA-O 3.36Å; R136-E168 HydrophobicContact CG-CB 3.77Å; R136-E168 IonicContact CZ-OE2 2.79Å; R136-E168 VanDerWaalsContact CZ-OE2 3.24Å; R136-E168 IonicContact NE-OE2 2.8Å; R136-E168 PolarHBondContact NE-OE2 3.18Å; R136-E168 IonicContact NH2-OE2 3.88Å; R136-E168 PolarHBondContact NH2-OE2 3.21Å; R136-D170 IonicContact NH1-OD2 2.82Å; R136-I173 HydrophobicContact CB-CD1 3.73Å; R136-M177 CarbonylContact O-C 3.58Å; R136-M177 VanDerWaalsContact O-CA 3.25Å; R136-M177 WeakPolarHBondContact O-CA 3.5Å; R136-V178 HydrophobicContact CB-CB 4.21Å; R136-V178 PolarHBondContact N-O 3.39Å; R136-V178 PolarHBondContact O-N 2.82Å
137T91.2Very high87.4Confident8 Ų867.7 Ų67.75%0.04934%0.339CS..EExtended strand (participates in β ladder)trans-126.4150.9177.359.50000112.1V135 K139 L141 E168 I169 D170 M177V135-T137 HydrophobicContact CG1-CG2 3.99Å; T137-K139 VanDerWaalsContact C-N 3.33Å; T137-K139 WeakPolarHBondContact CB-O 3.31Å; T137-K139 PolarHBondContact OG1-O 3.36Å; T137-L141 HydrophobicContact CG2-CD1 3.77Å; T137-L141 HydrophobicContact CG2-CD2 4.04Å; T137-L141 HydrophobicContact CG2-CG 3.84Å; T137-E168 PolarHBondContact N-O 3.4Å; T137-I169 CarbonylContact O-C 3.59Å; T137-I169 WeakPolarHBondContact O-CA 3.11Å; T137-D170 PolarHBondContact O-N 3.23Å; T137-M177 HydrophobicContact CG2-CB 4.01Å
138A89.5Confident87.6Confident18 Ų1868 Ų6815%0.14935%0.345CS..SBendtrans-71.2-28.7179.100000113.4D170 I173A138-D170 WeakPolarHBondContact CA-O 3.25Å; A138-I173 HydrophobicContact CB-CB 4.45Å
139K87.6Confident87.8Confident165 Ų16564.3 Ų64.372%0.71733%0.332SS*.SBendtrans-127.8154.2177.7-71.1-175.6-179.8-179.60109.5T137 L141T137-K139 VanDerWaalsContact C-N 3.33Å; T137-K139 WeakPolarHBondContact CB-O 3.31Å; T137-K139 PolarHBondContact OG1-O 3.36Å; K139-L141 PolarHBondContact O-N 3.27Å
140P87Confident88Confident98 Ų9868.4 Ų68.464%0.63634%0.341SS*.PPolyproline II helixtrans-55.4133.3170.324.8-33.9000109.6I169P140-I169 HydrophobicContact CB-CD1 4.03Å
141L82.4Confident88.2Confident44 Ų4472.2 Ų72.223%0.2336%0.363CS..PPolyproline II helixtrans-76.8141175.4-70.3174.2000109.7T137 K139 L145 L149 L167T137-L141 HydrophobicContact CG2-CD1 3.77Å; T137-L141 HydrophobicContact CG2-CD2 4.04Å; T137-L141 HydrophobicContact CG2-CG 3.84Å; K139-L141 PolarHBondContact O-N 3.27Å; L141-L145 HydrophobicContact CD2-CB 4.33Å; L141-L145 HydrophobicContact CD2-CD1 4.43Å; L141-L149 HydrophobicContact CD1-CD2 4.07Å; L141-L167 HydrophobicContact CD1-CD2 4.27Å
142D88.5Confident88.4Confident97 Ų9773.7 Ų73.752%0.51938%0.377SS..PPolyproline II helixtrans-73.1155.5167.8-171.927.6000110.3T144 L145 E146D142-T144 PolarHBondContact O-N 2.92Å; D142-T144 PolarHBondContact OD2-OG1 3.29Å; D142-L145 PolarHBondContact O-N 3.15Å; D142-L145 VanDerWaalsContact O-N 3.17Å; D142-E146 PolarHBondContact O-N 2.74Å
143K88.5Confident88.5Confident161 Ų16170 Ų7070%0.736%0.358SS*.Hα-helixtrans-59.6-32-177.5-66.6-178.9179.3178.10112.5N147K143-N147 PolarHBondContact O-N 3.13Å; K143-N147 VanDerWaalsContact O-N 3.13Å; K143-N147 PolarHBondContact O-ND2 3.37Å
144T90.7Very high88.3Confident81 Ų8173.9 Ų73.950%0.49738%0.378SS..Hα-helixtrans-62-55.2175.752.10000110.8D142 E146 N147 E148D142-T144 PolarHBondContact O-N 2.92Å; D142-T144 PolarHBondContact OD2-OG1 3.29Å; T144-E146 VanDerWaalsContact C-N 3.32Å; T144-E146 PolarHBondContact O-N 3.07Å; T144-N147 PolarHBondContact O-N 3Å; T144-E148 PolarHBondContact O-N 3.45Å; T144-E148 VanDerWaalsContact O-N 3.09Å
145L88Confident87.9Confident87 Ų8774.9 Ų74.946%0.45540%0.398SS..Hα-helixtrans-62.9-36177.1-64.5175.7000112.4L141 D142 N147 E148 L149L141-L145 HydrophobicContact CD2-CB 4.33Å; L141-L145 HydrophobicContact CD2-CD1 4.43Å; D142-L145 PolarHBondContact O-N 3.15Å; D142-L145 VanDerWaalsContact O-N 3.17Å; L145-N147 VanDerWaalsContact C-N 3.35Å; L145-E148 PolarHBondContact O-N 2.94Å; L145-L149 VanDerWaalsContact O-CB 3.26Å; L145-L149 WeakPolarHBondContact O-CB 3.38Å; L145-L149 PolarHBondContact O-N 3.3Å
146E87.4Confident87.3Confident39 Ų3981 Ų8118%0.18243%0.425CS..Hα-helixtrans-62-41.9175.2-171-170.5161.300111.7D142 T144 L149 R150 L167D142-E146 PolarHBondContact O-N 2.74Å; T144-E146 VanDerWaalsContact C-N 3.32Å; T144-E146 PolarHBondContact O-N 3.07Å; E146-L149 WeakPolarHBondContact O-CB 3.27Å; E146-L149 PolarHBondContact O-N 3.32Å; E146-R150 VanDerWaalsContact O-CG 3.31Å; E146-R150 WeakPolarHBondContact O-CG 3.28Å; E146-R150 PolarHBondContact O-N 3.07Å; E146-R150 IonicContact OE1-CZ 2.85Å; E146-R150 VanDerWaalsContact OE1-CZ 3.3Å; E146-R150 IonicContact OE1-NE 2.73Å; E146-R150 PolarHBondContact OE1-NE 3.21Å; E146-R150 VanDerWaalsContact OE1-NE 3.12Å; E146-R150 IonicContact OE1-NH2 3.24Å; E146-R150 PolarHBondContact OE1-NH2 3.23Å; E146-L167 HydrophobicContact CG-CD1 4.08Å
147N89.1Confident86.7Confident89 Ų8977.3 Ų77.348%0.47641%0.413SS..Hα-helixtrans-69.7-39.9178-72.9-31.2000112.2K143 T144 L145 L149 R150 N151K143-N147 PolarHBondContact O-N 3.13Å; K143-N147 VanDerWaalsContact O-N 3.13Å; K143-N147 PolarHBondContact O-ND2 3.37Å; T144-N147 PolarHBondContact O-N 3Å; L145-N147 VanDerWaalsContact C-N 3.35Å; N147-L149 VanDerWaalsContact C-N 3.31Å; N147-L149 PolarHBondContact O-N 3.43Å; N147-R150 WeakPolarHBondContact O-CB 3.48Å; N147-R150 PolarHBondContact O-N 3.1Å; N147-N151 VanDerWaalsContact O-CG 3.23Å; N147-N151 PolarHBondContact O-N 2.99Å; N147-N151 PolarHBondContact O-ND2 3.38Å
148E89.2Confident86Confident128 Ų12883.5 Ų83.560%0.59844%0.439SS*.Hα-helixtrans-61.2-42.4172.7-70.9179.3177.800111.4T144 L145 N151 A152T144-E148 PolarHBondContact O-N 3.45Å; T144-E148 VanDerWaalsContact O-N 3.09Å; L145-E148 PolarHBondContact O-N 2.94Å; E148-N151 PolarHBondContact O-N 3.22Å; E148-A152 WeakPolarHBondContact O-CB 3.42Å; E148-A152 PolarHBondContact O-N 3.47Å
149L87.9Confident85.2Confident19 Ų1989.2 Ų89.210%0.09948%0.475CS..Hα-helixtrans-62.2-46.6174.9-173.879.5000111.4V135 L141 L145 E146 N147 N151 A152 L153 M177V135-L149 HydrophobicContact CB-CD2 4.27Å; V135-L149 HydrophobicContact CG1-CD2 3.77Å; V135-L149 HydrophobicContact CG2-CD2 3.88Å; L141-L149 HydrophobicContact CD1-CD2 4.07Å; L145-L149 VanDerWaalsContact O-CB 3.26Å; L145-L149 WeakPolarHBondContact O-CB 3.38Å; L145-L149 PolarHBondContact O-N 3.3Å; E146-L149 WeakPolarHBondContact O-CB 3.27Å; E146-L149 PolarHBondContact O-N 3.32Å; N147-L149 VanDerWaalsContact C-N 3.31Å; N147-L149 PolarHBondContact O-N 3.43Å; L149-N151 VanDerWaalsContact C-N 3.27Å; L149-N151 PolarHBondContact O-N 3.39Å; L149-A152 PolarHBondContact O-N 3.12Å; L149-L153 HydrophobicContact CD1-CD1 4.34Å; L149-L153 HydrophobicContact CD1-CG 4.49Å; L149-L153 HydrophobicContact CD2-CD1 4.16Å; L149-L153 HydrophobicContact CG-CD1 3.78Å; L149-L153 HydrophobicContact CG-CG 4.25Å; L149-L153 WeakPolarHBondContact O-CB 3.42Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 2.92Å; L149-M177 HydrophobicContact CD1-CE 4.34Å; L149-M177 HydrophobicContact CD1-SD 3.66Å
150R87.2Confident84.6Confident107 Ų10784.8 Ų84.840%0.40448%0.476SS..Hα-helixtrans-53-46.8174.1-78.9168.8-176.6-120.62.1111E146 N147 L153 N154 L165E146-R150 VanDerWaalsContact O-CG 3.31Å; E146-R150 WeakPolarHBondContact O-CG 3.28Å; E146-R150 PolarHBondContact O-N 3.07Å; E146-R150 IonicContact OE1-CZ 2.85Å; E146-R150 VanDerWaalsContact OE1-CZ 3.3Å; E146-R150 IonicContact OE1-NE 2.73Å; E146-R150 PolarHBondContact OE1-NE 3.21Å; E146-R150 VanDerWaalsContact OE1-NE 3.12Å; E146-R150 IonicContact OE1-NH2 3.24Å; E146-R150 PolarHBondContact OE1-NH2 3.23Å; N147-R150 WeakPolarHBondContact O-CB 3.48Å; N147-R150 PolarHBondContact O-N 3.1Å; R150-L153 PolarHBondContact O-N 3.28Å; R150-N154 WeakPolarHBondContact O-CB 3.38Å; R150-N154 PolarHBondContact O-N 2.87Å; R150-N154 PolarHBondContact O-ND2 3.05Å; R150-L165 HydrophobicContact CB-CD1 4.35Å; R150-L165 HydrophobicContact CG-CD1 3.13Å; R150-L165 HydrophobicContact CG-CG 4.39Å
151N88.1Confident84.2Confident111 Ų11183.1 Ų83.159%0.59446%0.46SS*.Hα-helixtrans-65.5-44.7179.7-68.6-23.4000112.2N147 E148 L149 L153 N154 G155N147-N151 VanDerWaalsContact O-CG 3.23Å; N147-N151 PolarHBondContact O-N 2.99Å; N147-N151 PolarHBondContact O-ND2 3.38Å; E148-N151 PolarHBondContact O-N 3.22Å; L149-N151 VanDerWaalsContact C-N 3.27Å; L149-N151 PolarHBondContact O-N 3.39Å; N151-L153 VanDerWaalsContact C-N 3.34Å; N151-L153 PolarHBondContact O-N 2.91Å; N151-N154 PolarHBondContact O-N 2.96Å; N151-G155 PolarHBondContact O-N 2.79Å
152A86.6Confident84.2Confident56 Ų5687.5 Ų87.546%0.46348%0.477SS..Hα-helixtrans-61-44.2176.500000111.5E148 L149 G155 F156E148-A152 WeakPolarHBondContact O-CB 3.42Å; E148-A152 PolarHBondContact O-N 3.47Å; L149-A152 PolarHBondContact O-N 3.12Å; A152-G155 PolarHBondContact O-N 3.36Å; A152-F156 WeakPolarHBondContact O-CD2 3.17Å
153L86.1Confident83.9Confident9 Ų984.5 Ų84.55%0.04746%0.461CS..Hα-helixtrans-69.4-34.9-179.2-66.1173.1000113V135 L149 R150 N151 G155 F156 L163 L165 V179 I181V135-L153 HydrophobicContact CG2-CD1 4.12Å; L149-L153 HydrophobicContact CD1-CD1 4.34Å; L149-L153 HydrophobicContact CD1-CG 4.49Å; L149-L153 HydrophobicContact CD2-CD1 4.16Å; L149-L153 HydrophobicContact CG-CD1 3.78Å; L149-L153 HydrophobicContact CG-CG 4.25Å; L149-L153 WeakPolarHBondContact O-CB 3.42Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 2.92Å; R150-L153 PolarHBondContact O-N 3.28Å; N151-L153 VanDerWaalsContact C-N 3.34Å; N151-L153 PolarHBondContact O-N 2.91Å; L153-G155 PolarHBondContact O-N 3.1Å; L153-F156 PolarHBondContact O-N 3.1Å; L153-L163 HydrophobicContact CB-CD1 3.38Å; L153-L163 HydrophobicContact CD1-CD1 4.44Å; L153-L165 HydrophobicContact CD1-CD2 3.61Å; L153-V179 HydrophobicContact CD2-CG1 3.71Å; L153-I181 HydrophobicContact CD2-CD1 3.69Å; L153-I181 HydrophobicContact CD2-CG1 4.37Å
154N84.3Confident83.7Confident82 Ų8280.7 Ų80.744%0.43945%0.446SS..Hα-helixtrans-59.1-31.1172.3-74.2-26000112.3R150 N151 F156 L157R150-N154 WeakPolarHBondContact O-CB 3.38Å; R150-N154 PolarHBondContact O-N 2.87Å; R150-N154 PolarHBondContact O-ND2 3.05Å; N151-N154 PolarHBondContact O-N 2.96Å; N154-F156 PolarHBondContact O-N 2.92Å; N154-L157 PolarHBondContact O-N 3.36Å
155G82.9Confident83.5Confident69 Ų6978.5 Ų78.571%0.71143%0.43SS*.THydrogen-bonded Turntrans-67-20.8174.900000114.5N151 A152 L153N151-G155 PolarHBondContact O-N 2.79Å; A152-G155 PolarHBondContact O-N 3.36Å; L153-G155 PolarHBondContact O-N 3.1Å
156F79.4Confident83.5Confident128 Ų12877.6 Ų77.656%0.56143%0.429SS*.THydrogen-bonded Turntrans-90.8-12.2177.9-68.4-80.1000113.8A152 L153 N154 I181 R184A152-F156 WeakPolarHBondContact O-CD2 3.17Å; L153-F156 PolarHBondContact O-N 3.1Å; N154-F156 PolarHBondContact O-N 2.92Å; F156-I181 HydrophobicContact CB-CD1 4.37Å; F156-R184 PolarHBondContact O-NH1 3.28Å; F156-R184 VanDerWaalsContact O-NH1 3.12Å
157L79.3Confident83.7Confident27 Ų2779.1 Ų79.114%0.14144%0.438CS..SBendtrans-80.2157.7-179.7-69.4-175.8000112.4V131 N154 E161 L163 I181V131-L157 HydrophobicContact CB-CD2 3.95Å; V131-L157 HydrophobicContact CG1-CD2 4.09Å; V131-L157 HydrophobicContact CG2-CD2 4.04Å; N154-L157 PolarHBondContact O-N 3.36Å; L157-E161 HydrophobicContact CB-CB 4.22Å; L157-E161 HydrophobicContact CD1-CB 4.25Å; L157-E161 HydrophobicContact CD2-CB 4.49Å; L157-L163 HydrophobicContact CD1-CB 3.69Å; L157-L163 HydrophobicContact CD1-CD1 3.72Å; L157-L163 HydrophobicContact CD1-CG 3.98Å; L157-L163 HydrophobicContact CD2-CD1 4.39Å; L157-L163 HydrophobicContact CG-CD1 4.05Å; L157-I181 HydrophobicContact CD2-CG2 4.15Å
158K76.7Confident83.8Confident138 Ų13878.1 Ų78.160%0.643%0.43SS*.PPolyproline II helixtrans-76.4156.1171.2-61.7178.9-171.8166.80110.1G160 E161K158-G160 PolarHBondContact O-N 3.47Å; K158-E161 HydrophobicContact CB-CG 4.24Å; K158-E161 PolarHBondContact N-OE2 3.16Å; K158-E161 PolarHBondContact O-N 2.77Å
159P73.6Confident83.9Confident138 Ų13877.2 Ų77.290%0.89643%0.429SS*.THydrogen-bonded Turntrans-56.7127.5176.523.1-34.4000111.3
160G73.1Confident84.1Confident73 Ų7378.2 Ų78.275%0.75343%0.434SS*.THydrogen-bonded Turntrans92.5-6.7178.700000115.4K158K158-G160 PolarHBondContact O-N 3.47Å
161E79.4Confident84.1Confident63 Ų6377.8 Ų77.829%0.29445%0.445SS..  trans-79.2141.3173.4-70.2173.4177.100111.1G129 V131 L157 K158G129-E161 CarbonylContact O-C 3.48Å; G129-E161 WeakPolarHBondContact O-CA 3.42Å; V131-E161 HydrophobicContact CG2-CB 4.01Å; V131-E161 HydrophobicContact CG2-CG 4.03Å; L157-E161 HydrophobicContact CB-CB 4.22Å; L157-E161 HydrophobicContact CD1-CB 4.25Å; L157-E161 HydrophobicContact CD2-CB 4.49Å; K158-E161 HydrophobicContact CB-CG 4.24Å; K158-E161 PolarHBondContact N-OE2 3.16Å; K158-E161 PolarHBondContact O-N 2.77Å
162K81.7Confident84.2Confident135 Ų13576.6 Ų76.659%0.58745%0.445SS*.EExtended strand (participates in β ladder)trans-108.5136.7176.2-69.9-177.1-178.3177.50109.9G129 E130 V131G129-K162 PolarHBondContact O-N 3.2Å; E130-K162 CarbonylContact C-O 3.6Å; E130-K162 VanDerWaalsContact CA-O 3.23Å; E130-K162 WeakPolarHBondContact CA-O 3.18Å; E130-K162 HydrophobicContact CG-CB 4.02Å; V131-K162 PolarHBondContact N-O 3.49Å
163L82.9Confident84.3Confident34 Ų3474.3 Ų74.318%0.17843%0.425CS..EExtended strand (participates in β ladder)trans-91.4118.9-176.9-149.6149.5000111.4C133 L153 L157 L165C133-L163 HydrophobicContact CB-CD2 3.52Å; C133-L163 HydrophobicContact CB-CG 4.09Å; L153-L163 HydrophobicContact CB-CD1 3.38Å; L153-L163 HydrophobicContact CD1-CD1 4.44Å; L157-L163 HydrophobicContact CD1-CB 3.69Å; L157-L163 HydrophobicContact CD1-CD1 3.72Å; L157-L163 HydrophobicContact CD1-CG 3.98Å; L157-L163 HydrophobicContact CD2-CD1 4.39Å; L157-L163 HydrophobicContact CG-CD1 4.05Å; L163-L165 HydrophobicContact CD2-CB 4.32Å; L163-L165 HydrophobicContact CD2-CD1 4.28Å; L163-L165 HydrophobicContact CD2-CD2 3.12Å; L163-L165 HydrophobicContact CD2-CG 3.26Å
164Q83.4Confident84.3Confident82 Ų8279.5 Ų79.538%0.38345%0.452SS..EExtended strand (participates in β ladder)trans-94110.4165.6-75.4-154.7-5.600109.3E130 V131 C133E130-Q164 HydrophobicContact CB-CG 4.23Å; E130-Q164 HydrophobicContact CG-CG 4.32Å; E130-Q164 PolarHBondContact OE2-NE2 3.06Å; V131-Q164 PolarHBondContact O-N 2.89Å; C133-Q164 PolarHBondContact N-O 3.4Å
165L86.6Confident84.5Confident34 Ų3476.2 Ų76.218%0.17844%0.437CS..EExtended strand (participates in β ladder)trans-90126.1177.8-74.8178.4000112.4C133 V135 R150 L153 L163C133-L165 HydrophobicContact CB-CD2 3.98Å; V135-L165 HydrophobicContact CG2-CD2 3.96Å; R150-L165 HydrophobicContact CB-CD1 4.35Å; R150-L165 HydrophobicContact CG-CD1 3.13Å; R150-L165 HydrophobicContact CG-CG 4.39Å; L153-L165 HydrophobicContact CD1-CD2 3.61Å; L163-L165 HydrophobicContact CD2-CB 4.32Å; L163-L165 HydrophobicContact CD2-CD1 4.28Å; L163-L165 HydrophobicContact CD2-CD2 3.12Å; L163-L165 HydrophobicContact CD2-CG 3.26Å
166T89.6Confident84.8Confident69 Ų6975 Ų7542%0.42342%0.424SS..EExtended strand (participates in β ladder)trans-112112.5165.3-55.10000108.3C133 T134 V135 E168C133-T166 PolarHBondContact O-N 3.4Å; T134-T166 WeakPolarHBondContact CA-O 3.29Å; V135-T166 PolarHBondContact N-O 3.19Å; T166-E168 HydrophobicContact CG2-CG 4.48Å
167L90.5Very high85.3Confident70 Ų7071.8 Ų71.837%0.36641%0.412SS..EExtended strand (participates in β ladder)trans-90.4123.6176-60.1-179.4000109.8V135 L141 E146V135-L167 HydrophobicContact CB-CD2 3.86Å; V135-L167 HydrophobicContact CG1-CD2 4.32Å; V135-L167 HydrophobicContact CG2-CD2 4.41Å; L141-L167 HydrophobicContact CD1-CD2 4.27Å; E146-L167 HydrophobicContact CG-CD1 4.08Å
168E91.3Very high85.9Confident69 Ų6971.3 Ų71.332%0.32241%0.41SS..EExtended strand (participates in β ladder)trans-117.5140.3175.4-73.3-176-169.800109.7V135 R136 T137 T166V135-E168 PolarHBondContact O-N 2.91Å; R136-E168 CarbonylContact C-O 3.52Å; R136-E168 VanDerWaalsContact CA-O 3.26Å; R136-E168 WeakPolarHBondContact CA-O 3.36Å; R136-E168 HydrophobicContact CG-CB 3.77Å; R136-E168 IonicContact CZ-OE2 2.79Å; R136-E168 VanDerWaalsContact CZ-OE2 3.24Å; R136-E168 IonicContact NE-OE2 2.8Å; R136-E168 PolarHBondContact NE-OE2 3.18Å; R136-E168 IonicContact NH2-OE2 3.88Å; R136-E168 PolarHBondContact NH2-OE2 3.21Å; T137-E168 PolarHBondContact N-O 3.4Å; T166-E168 HydrophobicContact CG2-CG 4.48Å
169I91.9Very high86.6Confident109 Ų10965.2 Ų65.256%0.55939%0.385SS*.EExtended strand (participates in β ladder)trans-105.6118.1178.8-58.6170000108.3T137 P140T137-I169 CarbonylContact O-C 3.59Å; T137-I169 WeakPolarHBondContact O-CA 3.11Å; P140-I169 HydrophobicContact CB-CD1 4.03Å
170D90.7Very high87.4Confident40 Ų4060.3 Ų60.321%0.21435%0.354CS..  trans-130.2100.8176.1-176.50.8000110.5R136 T137 A138 S172 I173R136-D170 IonicContact NH1-OD2 2.82Å; T137-D170 PolarHBondContact O-N 3.23Å; A138-D170 WeakPolarHBondContact CA-O 3.25Å; D170-S172 PolarHBondContact O-N 2.65Å; D170-S172 VanDerWaalsContact O-N 3.17Å; D170-S172 WeakPolarHBondContact OD1-CB 3.48Å; D170-S172 PolarHBondContact OD1-N 2.97Å; D170-S172 PolarHBondContact OD1-OG 3.4Å; D170-I173 HydrophobicContact CB-CD1 3.89Å; D170-I173 HydrophobicContact CB-CG1 4.18Å; D170-I173 WeakPolarHBondContact O-CB 3.31Å; D170-I173 PolarHBondContact O-N 3.14Å
171P89.2Confident88.1Confident97 Ų9757.7 Ų57.763%0.6332%0.322SS*.G310 helixtrans-66.1-15.5-179.327.7-34.3000113.3I173 I174P171-I173 PolarHBondContact O-N 3.15Å; P171-I174 PolarHBondContact O-N 3.33Å; P171-I174 VanDerWaalsContact O-N 3.16Å
172S89.4Confident88.2Confident86 Ų8656.9 Ų56.960%0.60133%0.331SS*.G310 helixtrans-64.7-20.2179.4-41.60000113D170 I174D170-S172 PolarHBondContact O-N 2.65Å; D170-S172 VanDerWaalsContact O-N 3.17Å; D170-S172 WeakPolarHBondContact OD1-CB 3.48Å; D170-S172 PolarHBondContact OD1-N 2.97Å; D170-S172 PolarHBondContact OD1-OG 3.4Å; S172-I174 PolarHBondContact O-N 3.48Å
173I88.4Confident88.3Confident9 Ų958.9 Ų58.95%0.04635%0.348CS..G310 helixtrans-68.8-17.5179.2-65.1177.3000111.2R136 A138 D170 P171 G175 V178 A191R136-I173 HydrophobicContact CB-CD1 3.73Å; A138-I173 HydrophobicContact CB-CB 4.45Å; D170-I173 HydrophobicContact CB-CD1 3.89Å; D170-I173 HydrophobicContact CB-CG1 4.18Å; D170-I173 WeakPolarHBondContact O-CB 3.31Å; D170-I173 PolarHBondContact O-N 3.14Å; P171-I173 PolarHBondContact O-N 3.15Å; I173-G175 WeakPolarHBondContact CG2-O 3.41Å; I173-G175 PolarHBondContact O-N 2.88Å; I173-V178 HydrophobicContact CD1-CG2 4.03Å; I173-A191 WeakPolarHBondContact O-CB 3.29Å; I173-A191 PolarHBondContact O-N 3.07Å; I173-A191 VanDerWaalsContact O-N 3.09Å
174I86.2Confident88.5Confident117 Ų11764 Ų6460%0.637%0.365SS*.  trans66.2-47.7-175.4-56170.2000112.3P171 S172 I190P171-I174 PolarHBondContact O-N 3.33Å; P171-I174 VanDerWaalsContact O-N 3.16Å; S172-I174 PolarHBondContact O-N 3.48Å; I174-I190 HydrophobicContact CB-CB 4.38Å; I174-I190 HydrophobicContact CB-CG2 4.39Å; I174-I190 HydrophobicContact CG2-CG2 4.23Å
175G89.1Confident88.8Confident13 Ų1366.5 Ų66.513%0.13438%0.375CS..SBendtrans-175.2169.5172.500000111.6I173 I190I173-G175 WeakPolarHBondContact CG2-O 3.41Å; I173-G175 PolarHBondContact O-N 2.88Å; G175-I190 WeakPolarHBondContact O-CG1 3.36Å; G175-I190 PolarHBondContact O-N 3.16Å
176G88.9Confident88.9Confident43 Ų4368.4 Ų68.444%0.44339%0.388SS..SBendtrans83.8-163.4-168.600000112.1
177M89.8Confident89Confident62 Ų6266.5 Ų66.531%0.30538%0.375SS..EExtended strand (participates in β ladder)trans-145152.2-175.560.7-175.771.800112.1R136 T137 L149 V179 M188R136-M177 CarbonylContact O-C 3.58Å; R136-M177 VanDerWaalsContact O-CA 3.25Å; R136-M177 WeakPolarHBondContact O-CA 3.5Å; T137-M177 HydrophobicContact CG2-CB 4.01Å; L149-M177 HydrophobicContact CD1-CE 4.34Å; L149-M177 HydrophobicContact CD1-SD 3.66Å; M177-V179 HydrophobicContact CG-CG2 4.42Å; M177-V179 HydrophobicContact SD-CG2 4.4Å; M177-M188 CarbonylContact O-C 3.5Å; M177-M188 WeakPolarHBondContact O-CA 3.48Å; M177-M188 PolarHBondContact O-N 3.06Å
178V92.1Very high89Confident16 Ų1669.9 Ų69.910%0.09739%0.391CS..EExtended strand (participates in β ladder)trans-119124.1171.4-177.10000107.6V135 R136 I173 F185 V186 D187V135-V178 CarbonylContact C-O 3.47Å; V135-V178 WeakPolarHBondContact CA-O 3.38Å; R136-V178 HydrophobicContact CB-CB 4.21Å; R136-V178 PolarHBondContact N-O 3.39Å; R136-V178 PolarHBondContact O-N 2.82Å; I173-V178 HydrophobicContact CD1-CG2 4.03Å; V178-F185 HydrophobicContact CG1-CD2 4.39Å; V178-F185 HydrophobicContact CG1-CE1 4.31Å; V178-F185 HydrophobicContact CG1-CE2 3.38Å; V178-F185 HydrophobicContact CG1-CZ 3.34Å; V178-V186 WeakPolarHBondContact CA-O 3.38Å; V178-D187 HydrophobicContact CG1-CB 4.23Å; V178-D187 HydrophobicContact CG2-CB 4.32Å; V178-D187 WeakPolarHBondContact CG2-OD1 3.45Å
179V91.5Very high89.1Confident11 Ų1167.1 Ų67.17%0.06738%0.379CS..EExtended strand (participates in β ladder)trans-117.3125.9-178.1-174.90000108.8T134 V135 L153 M177 I181 V186T134-V179 WeakPolarHBondContact O-CA 3.44Å; V135-V179 HydrophobicContact CG1-CG2 4.34Å; V135-V179 HydrophobicContact CG2-CG1 4.25Å; V135-V179 HydrophobicContact CG2-CG2 4.36Å; L153-V179 HydrophobicContact CD2-CG1 3.71Å; M177-V179 HydrophobicContact CG-CG2 4.42Å; M177-V179 HydrophobicContact SD-CG2 4.4Å; V179-I181 HydrophobicContact CG1-CD1 4.07Å; V179-I181 HydrophobicContact CG1-CG1 3.59Å; V179-V186 PolarHBondContact N-O 3.13Å; V179-V186 PolarHBondContact O-N 3.5Å
180S90.4Very high89.1Confident35 Ų3565.8 Ų65.825%0.24537%0.372CS..EExtended strand (participates in β ladder)trans-113.6115.3168.7-160.10000109C133 T134 R184C133-S180 CarbonylContact C-O 3.56Å; C133-S180 VanDerWaalsContact CA-O 3.23Å; C133-S180 WeakPolarHBondContact CA-O 3.46Å; T134-S180 PolarHBondContact N-O 3.11Å; T134-S180 PolarHBondContact O-N 2.87Å; T134-S180 VanDerWaalsContact OG1-CB 3.3Å; T134-S180 WeakPolarHBondContact OG1-CB 3.44Å; S180-R184 CarbonylContact C-O 3.6Å; S180-R184 WeakPolarHBondContact CA-O 3.4Å
181I87.5Confident89.2Confident17 Ų1764.6 Ų64.69%0.08737%0.368CS..EExtended strand (participates in β ladder)trans-114.496.9179.4-46.2175.4000108V131 L153 F156 L157 V179 D183 R184V131-I181 HydrophobicContact CG1-CG2 3.79Å; L153-I181 HydrophobicContact CD2-CD1 3.69Å; L153-I181 HydrophobicContact CD2-CG1 4.37Å; F156-I181 HydrophobicContact CB-CD1 4.37Å; L157-I181 HydrophobicContact CD2-CG2 4.15Å; V179-I181 HydrophobicContact CG1-CD1 4.07Å; V179-I181 HydrophobicContact CG1-CG1 3.59Å; I181-D183 PolarHBondContact O-N 3.47Å; I181-R184 HydrophobicContact CB-CB 4.42Å; I181-R184 PolarHBondContact N-O 2.96Å; I181-R184 PolarHBondContact O-N 3.17Å
182G81.7Confident89.3Confident47 Ų4766.3 Ų66.349%0.48536%0.362SS..THydrogen-bonded Turntrans50.6-112.9-172.900000111.5N132N132-G182 PolarHBondContact O-N 3.37Å; N132-G182 VanDerWaalsContact O-N 3.17Å
183D83.1Confident89.5Confident177 Ų17768.6 Ų68.695%0.94736%0.361SS*.THydrogen-bonded Turntrans-85.9-6.5179.4-56.4-40.9000114.8I181I181-D183 PolarHBondContact O-N 3.47Å
184R86.7Confident89.7Confident141 Ų14171.9 Ų71.953%0.53238%0.381SS..EExtended strand (participates in β ladder)trans-96.5131.5-179.5-63.3-178.8-179.9175.51.9110.1F156 S180 I181F156-R184 PolarHBondContact O-NH1 3.28Å; F156-R184 VanDerWaalsContact O-NH1 3.12Å; S180-R184 CarbonylContact C-O 3.6Å; S180-R184 WeakPolarHBondContact CA-O 3.4Å; I181-R184 HydrophobicContact CB-CB 4.42Å; I181-R184 PolarHBondContact N-O 2.96Å; I181-R184 PolarHBondContact O-N 3.17Å
185F90.2Very high90Very high134 Ų13474.2 Ų74.259%0.58838%0.382SS*.EExtended strand (participates in β ladder)trans-123.5124177.9-175.9-99.5000110.4V178 D187V178-F185 HydrophobicContact CG1-CD2 4.39Å; V178-F185 HydrophobicContact CG1-CE1 4.31Å; V178-F185 HydrophobicContact CG1-CE2 3.38Å; V178-F185 HydrophobicContact CG1-CZ 3.34Å; F185-D187 HydrophobicContact CD1-CB 4.41Å; F185-D187 HydrophobicContact CE1-CB 3.62Å; F185-D187 HydrophobicContact CZ-CB 4.07Å
186V90Very high90.2Very high74 Ų7476.6 Ų76.645%0.44840%0.397SS..EExtended strand (participates in β ladder)trans-126.1111.6-179.7-177.10000108.6V178 V179 M188V178-V186 WeakPolarHBondContact CA-O 3.38Å; V179-V186 PolarHBondContact N-O 3.13Å; V179-V186 PolarHBondContact O-N 3.5Å; V186-M188 HydrophobicContact CG1-CG 4.22Å
187D91.7Very high90.4Very high30 Ų3078.6 Ų78.616%0.1640%0.397CS..EExtended strand (participates in β ladder)trans-111.6108.9178.7180-8.3000110.2V178 F185 S189 R192V178-D187 HydrophobicContact CG1-CB 4.23Å; V178-D187 HydrophobicContact CG2-CB 4.32Å; V178-D187 WeakPolarHBondContact CG2-OD1 3.45Å; F185-D187 HydrophobicContact CD1-CB 4.41Å; F185-D187 HydrophobicContact CE1-CB 3.62Å; F185-D187 HydrophobicContact CZ-CB 4.07Å; D187-S189 WeakPolarHBondContact OD1-CB 3.32Å; D187-S189 PolarHBondContact OD1-N 3.1Å; D187-S189 PolarHBondContact OD1-OG 2.85Å; D187-R192 VanDerWaalsContact CG-CD 3.46Å; D187-R192 PolarHBondContact O-NH1 3.17Å; D187-R192 VanDerWaalsContact OD2-CD 3.28Å; D187-R192 WeakPolarHBondContact OD2-CD 3.44Å
188M89.8Confident90.5Very high141 Ų14183 Ų8370%0.69541%0.41SS*.  trans-11130173.2-61.4-168.375.700111.7M177 V186M177-M188 CarbonylContact O-C 3.5Å; M177-M188 WeakPolarHBondContact O-CA 3.48Å; M177-M188 PolarHBondContact O-N 3.06Å; V186-M188 HydrophobicContact CG1-CG 4.22Å
189S92.8Very high90.5Very high10 Ų1083.8 Ų83.87%0.0742%0.422CS..  trans-72.9141.9177.766.60000112.8D187 A191 R192 K193D187-S189 WeakPolarHBondContact OD1-CB 3.32Å; D187-S189 PolarHBondContact OD1-N 3.1Å; D187-S189 PolarHBondContact OD1-OG 2.85Å; S189-A191 PolarHBondContact O-N 2.94Å; S189-R192 PolarHBondContact O-N 3.48Å; S189-R192 WeakPolarHBondContact OG-CB 3.4Å; S189-R192 PolarHBondContact OG-N 3.09Å; S189-K193 PolarHBondContact O-N 3.15Å
190I92.9Very high90.6Very high82 Ų8288.3 Ų88.342%0.42145%0.445SS..Hα-helixtrans-62.9-37.6169.8-65175.4000109.6I174 G175 R192 K193 V194I174-I190 HydrophobicContact CB-CB 4.38Å; I174-I190 HydrophobicContact CB-CG2 4.39Å; I174-I190 HydrophobicContact CG2-CG2 4.23Å; G175-I190 WeakPolarHBondContact O-CG1 3.36Å; G175-I190 PolarHBondContact O-N 3.16Å; I190-R192 VanDerWaalsContact C-N 3.31Å; I190-R192 PolarHBondContact O-N 2.84Å; I190-K193 WeakPolarHBondContact O-CB 3.24Å; I190-K193 PolarHBondContact O-N 3.4Å; I190-V194 HydrophobicContact CG2-CG2 4.07Å; I190-V194 WeakPolarHBondContact O-CG2 3.41Å; I190-V194 PolarHBondContact O-N 3.38Å
191A91.4Very high90.6Very high15 Ų1593.8 Ų93.812%0.12447%0.468CS..Hα-helixtrans-54.1-44.1174.700000112.8I173 S189 R195I173-A191 WeakPolarHBondContact O-CB 3.29Å; I173-A191 PolarHBondContact O-N 3.07Å; I173-A191 VanDerWaalsContact O-N 3.09Å; S189-A191 PolarHBondContact O-N 2.94Å; A191-R195 WeakPolarHBondContact O-CB 3.48Å; A191-R195 PolarHBondContact O-N 3.39Å
192R92.7Very high90.8Very high133 Ų13398.8 Ų98.850%0.50249%0.491SS..Hα-helixtrans-63.3-42.4174.1178.9177.8179.4-164.19.3111.6D187 S189 I190 R195 S196D187-R192 VanDerWaalsContact CG-CD 3.46Å; D187-R192 PolarHBondContact O-NH1 3.17Å; D187-R192 VanDerWaalsContact OD2-CD 3.28Å; D187-R192 WeakPolarHBondContact OD2-CD 3.44Å; S189-R192 PolarHBondContact O-N 3.48Å; S189-R192 WeakPolarHBondContact OG-CB 3.4Å; S189-R192 PolarHBondContact OG-N 3.09Å; I190-R192 VanDerWaalsContact C-N 3.31Å; I190-R192 PolarHBondContact O-N 2.84Å; R192-R195 PolarHBondContact O-N 3.43Å; R192-S196 WeakPolarHBondContact O-CB 3.43Å; R192-S196 PolarHBondContact O-N 3.04Å
193K92.5Very high91Very high134 Ų134103.1 Ų103.158%0.58350%0.499SS*.Hα-helixtrans-63.4-45.4179.3-172.662.2178.4179.40112S189 I190 S196 L197S189-K193 PolarHBondContact O-N 3.15Å; I190-K193 WeakPolarHBondContact O-CB 3.24Å; I190-K193 PolarHBondContact O-N 3.4Å; K193-S196 PolarHBondContact O-N 3.36Å; K193-L197 WeakPolarHBondContact O-CG 3.49Å; K193-L197 PolarHBondContact O-N 3.17Å
194V93.9Very high90.9Very high78 Ų78100.7 Ų100.747%0.47349%0.492SS..Hα-helixtrans-62.8-43.8176.3174.10000111I190 S196 L197 R198I190-V194 HydrophobicContact CG2-CG2 4.07Å; I190-V194 WeakPolarHBondContact O-CG2 3.41Å; I190-V194 PolarHBondContact O-N 3.38Å; V194-S196 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 3.47Å; V194-L197 PolarHBondContact O-N 3.5Å; V194-R198 WeakPolarHBondContact O-CB 3.37Å; V194-R198 PolarHBondContact O-N 3.41Å
195R92Very high90.4Very high165 Ų165105.5 Ų105.562%0.62353%0.526SS*.Hα-helixtrans-61.4-42176.4-169.3-176-58.7114.32.7112.1A191 R192 R198 G199A191-R195 WeakPolarHBondContact O-CB 3.48Å; A191-R195 PolarHBondContact O-N 3.39Å; R192-R195 PolarHBondContact O-N 3.43Å; R195-R198 PolarHBondContact O-N 3.23Å; R195-G199 PolarHBondContact O-N 2.9Å
196S92.3Very high90.4Very high63 Ų63104.1 Ų104.144%0.44152%0.523SS..Hα-helixtrans-62.9-41.1176.31790000111.9R192 K193 V194 I200R192-S196 WeakPolarHBondContact O-CB 3.43Å; R192-S196 PolarHBondContact O-N 3.04Å; K193-S196 PolarHBondContact O-N 3.36Å; V194-S196 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 3.47Å; S196-I200 WeakPolarHBondContact O-CD1 3.16Å; S196-I200 WeakPolarHBondContact O-CG1 3.06Å; S196-I200 PolarHBondContact O-N 3.22Å
197L93.7Very high90.4Very high86 Ų86105.7 Ų105.745%0.4553%0.527SS..Hα-helixtrans-66.5-45.4176.1-69.5172.2000111.4K193 V194 G199 I200 M201K193-L197 WeakPolarHBondContact O-CG 3.49Å; K193-L197 PolarHBondContact O-N 3.17Å; V194-L197 PolarHBondContact O-N 3.5Å; L197-G199 VanDerWaalsContact C-N 3.33Å; L197-G199 PolarHBondContact O-N 3.01Å; L197-I200 PolarHBondContact O-N 3.31Å; L197-M201 WeakPolarHBondContact O-CG 3.32Å; L197-M201 PolarHBondContact O-N 2.92Å; L197-M201 VanDerWaalsContact O-N 3.09Å
198R92.4Very high90.4Very high153 Ų153109.9 Ų109.958%0.57755%0.548SS*.Hα-helixtrans-58.4-44.1176.1-176.8175.8173.8174-0.3112.4V194 R195 I200 M201 E202V194-R198 WeakPolarHBondContact O-CB 3.37Å; V194-R198 PolarHBondContact O-N 3.41Å; R195-R198 PolarHBondContact O-N 3.23Å; R198-I200 VanDerWaalsContact C-N 3.27Å; R198-I200 PolarHBondContact O-N 3.48Å; R198-M201 HydrophobicContact CB-CE 4.33Å; R198-M201 PolarHBondContact O-N 2.64Å; R198-M201 VanDerWaalsContact O-N 3.11Å; R198-E202 HydrophobicContact CG-CG 4.36Å; R198-E202 IonicContact CZ-OE1 3.3Å; R198-E202 VanDerWaalsContact CZ-OE1 3.29Å; R198-E202 IonicContact NE-OE1 3.12Å; R198-E202 PolarHBondContact NE-OE1 3.04Å; R198-E202 IonicContact NH2-OE1 2.69Å; R198-E202 PolarHBondContact NH2-OE1 2.89Å; R198-E202 PolarHBondContact O-N 3.47Å
199G92.4Very high90.4Very high33 Ų33108.1 Ų108.134%0.3454%0.539SS..Hα-helixtrans-61.4-33.717800000113.4R195 L197 Q203R195-G199 PolarHBondContact O-N 2.9Å; L197-G199 VanDerWaalsContact C-N 3.33Å; L197-G199 PolarHBondContact O-N 3.01Å; G199-Q203 WeakPolarHBondContact O-CG 3.49Å
200I93.2Very high90.2Very high107 Ų107114.2 Ų114.255%0.54957%0.568SS.*Hα-helixtrans-71.6-39.2174.4-63.4162.2000110.7S196 L197 R198 Q203S196-I200 WeakPolarHBondContact O-CD1 3.16Å; S196-I200 WeakPolarHBondContact O-CG1 3.06Å; S196-I200 PolarHBondContact O-N 3.22Å; L197-I200 PolarHBondContact O-N 3.31Å; R198-I200 VanDerWaalsContact C-N 3.27Å; R198-I200 PolarHBondContact O-N 3.48Å; I200-Q203 PolarHBondContact O-N 3.08Å
201M90Very high90.1Very high149 Ų149116.3 Ų116.373%0.73458%0.578SS**Hα-helixtrans-71-27.7-180-65.7-176.4-60.900113.8L197 R198L197-M201 WeakPolarHBondContact O-CG 3.32Å; L197-M201 PolarHBondContact O-N 2.92Å; L197-M201 VanDerWaalsContact O-N 3.09Å; R198-M201 HydrophobicContact CB-CE 4.33Å; R198-M201 PolarHBondContact O-N 2.64Å; R198-M201 VanDerWaalsContact O-N 3.11Å
202E91.5Very high90Very high123 Ų123123.6 Ų123.658%0.57561%0.611SS**THydrogen-bonded Turntrans-84.5-11.1178.6-73.4178.8172.700113.4R198R198-E202 HydrophobicContact CG-CG 4.36Å; R198-E202 IonicContact CZ-OE1 3.3Å; R198-E202 VanDerWaalsContact CZ-OE1 3.29Å; R198-E202 IonicContact NE-OE1 3.12Å; R198-E202 PolarHBondContact NE-OE1 3.04Å; R198-E202 IonicContact NH2-OE1 2.69Å; R198-E202 PolarHBondContact NH2-OE1 2.89Å; R198-E202 PolarHBondContact O-N 3.47Å
203Q85.3Confident89.8Confident138 Ų138122.8 Ų122.865%0.64562%0.619SS**SBendtrans-67.3125.8175.9-78.6179.9-0.200109.6G199 I200 I205G199-Q203 WeakPolarHBondContact O-CG 3.49Å; I200-Q203 PolarHBondContact O-N 3.08Å; Q203-I205 PolarHBondContact O-N 3.3Å
204P81.2Confident89.5Confident125 Ų125121.9 Ų121.981%0.81262%0.622SS**  trans-61.3135170.926-31.4000108.6
205I76.5Confident89.1Confident243 Ų243125.9 Ų125.9100%1.24664%0.636SS**  trans-62.30175.9-54.2167.1000109.5Q203Q203-I205 PolarHBondContact O-N 3.3Å

Retrieved 205 of 205 residues in 125.3 ms (Link to these results)