A0A060Z3P8_ONCMY Loading...

Dynein light chain

AlphaFold DB (A0A6P6IV14), UniProt , Accession A0A060Z3P8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110507765, Length 89 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
1M47Very low82.5Confident217 Ų217111.5 Ų111.5100%1.06957%0.571SS**  0120.60-70.3161.9-178.800105.9D3M1-D3 PolarHBondContact O-N 3.15Å; M1-D3 VanDerWaalsContact O-N 3.15Å
2T53.5Low83.8Confident126 Ų126107.2 Ų107.277%0.77355%0.55SS*.  trans-68.9109.8172.838.50000107.4R4T2-R4 PolarHBondContact O-N 2.92Å
3D58.9Low84.9Confident159 Ų159100.2 Ų100.285%0.8551%0.514SS*.  trans-52.4105.2172.2-73.5-52.6000108.8M1 K5M1-D3 PolarHBondContact O-N 3.15Å; M1-D3 VanDerWaalsContact O-N 3.15Å; D3-K5 VanDerWaalsContact C-N 3.26Å; D3-K5 PolarHBondContact O-N 2.91Å
4R75.4Confident85.9Confident131 Ų13197.7 Ų97.749%0.49451%0.51SS..  trans-7688.9174.3-66.9-176.1-171170.210.6106.3T2 A6 M29 L78T2-R4 PolarHBondContact O-N 2.92Å; R4-A6 PolarHBondContact O-N 2.86Å; R4-M29 HydrophobicContact CB-CE 4.47Å; R4-M29 PolarHBondContact NH1-SD 2.82Å; R4-M29 VanDerWaalsContact NH1-SD 3.41Å; R4-L78 WeakPolarHBondContact O-CD2 3.23Å
5K86.4Confident86.7Confident170 Ų170102.1 Ų102.174%0.73953%0.527SS*.  trans-56.1124.9179.6-175.1175.1-179.6177.40110.2D3D3-K5 VanDerWaalsContact C-N 3.26Å; D3-K5 PolarHBondContact O-N 2.91Å
6A95.4Very high87.4Confident32 Ų32103.7 Ų103.726%0.26454%0.536SS..EExtended strand (participates in β ladder)trans-71.5136.6171.800000110.7R4 V22 Y77 L78R4-A6 PolarHBondContact O-N 2.86Å; A6-V22 HydrophobicContact CB-CB 4.41Å; A6-V22 HydrophobicContact CB-CG1 3.61Å; A6-V22 HydrophobicContact CB-CG2 3.84Å; A6-Y77 CarbonylContact C-O 3.48Å; A6-Y77 WeakPolarHBondContact CA-O 3.47Å; A6-L78 HydrophobicContact CB-CD2 3.71Å
7V97.8Very high88.1Confident63 Ų6398.8 Ų98.838%0.38251%0.511SS..EExtended strand (participates in β ladder)trans-125.8100.6172.8-178.30000108.2K9 F76 Y77V7-K9 HydrophobicContact CG1-CD 4.29Å; V7-K9 PolarHBondContact O-N 2.83Å; V7-F76 CarbonylContact O-C 3.56Å; V7-F76 VanDerWaalsContact O-CA 3.3Å; V7-F76 WeakPolarHBondContact O-CA 3.3Å; V7-F76 WeakPolarHBondContact O-CB 3.33Å; V7-Y77 PolarHBondContact N-O 2.85Å; V7-Y77 PolarHBondContact O-N 3.45Å
8I98.2Very high88.7Confident73 Ų7395.4 Ų95.437%0.37449%0.492SS..EExtended strand (participates in β ladder)trans-71.9127176.3-55.7178.9000108.5A11 Q18 I74 F76I8-A11 HydrophobicContact CG2-CB 4.07Å; I8-Q18 HydrophobicContact CD1-CB 4.24Å; I8-Q18 VanDerWaalsContact CD1-OE1 3.28Å; I8-I74 HydrophobicContact CD1-CD1 4.42Å; I8-I74 HydrophobicContact CG2-CG1 4.45Å; I8-F76 HydrophobicContact CB-CB 4.41Å; I8-F76 HydrophobicContact CG1-CB 4.16Å
9K98.1Very high89.2Confident126 Ų12696 Ų9655%0.54849%0.493SS..EExtended strand (participates in β ladder)trans-101.5-38.4180-66.2-60.1-175.3-178.40111.6V7 Y75 Y77V7-K9 HydrophobicContact CG1-CD 4.29Å; V7-K9 PolarHBondContact O-N 2.83Å; K9-Y75 HydrophobicContact CB-CD1 3.5Å; K9-Y75 HydrophobicContact CB-CE1 3.78Å; K9-Y75 HydrophobicContact CB-CG 4.44Å; K9-Y75 HydrophobicContact CG-CD1 4.18Å; K9-Y75 HydrophobicContact CG-CE1 4.01Å; K9-Y75 PolarHBondContact N-O 2.94Å; K9-Y77 HydrophobicContact CD-CD2 4.48Å; K9-Y77 HydrophobicContact CG-CD2 3.8Å; K9-Y77 HydrophobicContact CG-CE2 4.07Å
10N98.2Very high89.6Confident98 Ų9893.8 Ų93.852%0.52448%0.482SS..EExtended strand (participates in β ladder)trans-155.4145174.5-1679.3000109.4F73 Y75N10-F73 HydrophobicContact CB-CE1 4.18Å; N10-Y75 PolarHBondContact N-O 2.88Å; N10-Y75 VanDerWaalsContact N-O 3.11Å; N10-Y75 PolarHBondContact O-N 3.23Å
11A98.3Very high90.1Very high32 Ų3289.3 Ų89.326%0.26446%0.459SS..EExtended strand (participates in β ladder)trans-153.4138.7176.500000110.6I8 M13 Q18 F73 I74I8-A11 HydrophobicContact CG2-CB 4.07Å; A11-M13 HydrophobicContact CB-CG 4.5Å; A11-Q18 HydrophobicContact CB-CG 4.2Å; A11-F73 CarbonylContact C-O 3.5Å; A11-F73 WeakPolarHBondContact CA-O 3.22Å; A11-I74 HydrophobicContact CB-CB 4.45Å; A11-I74 HydrophobicContact CB-CG1 4.05Å
12D98.4Very high92.5Very high59 Ų5979.7 Ų79.732%0.31641%0.412SS..EExtended strand (participates in β ladder)trans-127.483.7162.9175.727.9000106.8K71 H72 F73D12-K71 VanDerWaalsContact CG-N 3.35Å; D12-K71 CarbonylContact O-C 3.55Å; D12-K71 WeakPolarHBondContact O-CA 3.39Å; D12-K71 PolarHBondContact OD2-N 3.32Å; D12-H72 PolarHBondContact O-N 3.3Å; D12-F73 CarbonylContact C-O 3.55Å; D12-F73 HydrophobicContact CB-CB 4.39Å; D12-F73 PolarHBondContact N-O 3.29Å; D12-F73 PolarHBondContact O-N 3.05Å
13M98.3Very high94.6Very high17 Ų1776.8 Ų76.88%0.08439%0.392CS..SBendtrans-172.2167.3175.951.4165.448.800109.9A11 M17 Q18 W54 K71 I74A11-M13 HydrophobicContact CB-CG 4.5Å; M13-M17 HydrophobicContact CB-CB 4.4Å; M13-M17 HydrophobicContact CB-SD 4.11Å; M13-M17 HydrophobicContact CE-CG 3.72Å; M13-M17 HydrophobicContact CE-SD 3.46Å; M13-M17 WeakPolarHBondContact CE-SD 3.46Å; M13-M17 HydrophobicContact SD-CB 3.98Å; M13-M17 HydrophobicContact SD-CG 3.78Å; M13-M17 HydrophobicContact SD-SD 4.18Å; M13-Q18 HydrophobicContact CG-CG 3.56Å; M13-Q18 PolarHBondContact O-NE2 2.91Å; M13-Q18 HydrophobicContact SD-CB 4.4Å; M13-Q18 HydrophobicContact SD-CG 3.75Å; M13-W54 HydrophobicContact CE-CH2 3.88Å; M13-W54 HydrophobicContact CE-CZ3 4.06Å; M13-K71 WeakPolarHBondContact CA-O 3.39Å; M13-K71 VanDerWaalsContact CB-O 3.28Å; M13-K71 WeakPolarHBondContact CB-O 3.44Å; M13-I74 HydrophobicContact CE-CB 4.23Å; M13-I74 HydrophobicContact CE-CG2 4.03Å; M13-I74 HydrophobicContact CG-CB 4.43Å; M13-I74 HydrophobicContact SD-CB 3.8Å; M13-I74 HydrophobicContact SD-CD1 4.27Å; M13-I74 HydrophobicContact SD-CG2 3.96Å
14S98.4Very high96.5Very high65 Ų6569.8 Ų69.846%0.45536%0.355SS..  trans-65.7152.3177.661.50000112.7D16 M17 Q18S14-D16 VanDerWaalsContact C-N 3.29Å; S14-D16 PolarHBondContact O-N 2.79Å; S14-M17 PolarHBondContact O-N 3.03Å; S14-M17 WeakPolarHBondContact OG-CB 3.44Å; S14-M17 PolarHBondContact OG-N 3.11Å; S14-Q18 WeakPolarHBondContact O-CG 3.44Å; S14-Q18 PolarHBondContact O-N 2.96Å
15E98Very high97.6Very high164 Ų16463.5 Ų63.577%0.76633%0.332SS*.Hα-helixtrans-56.8-41.2178.6-65.5-174.716800112.5M17 Q18 Q19E15-M17 VanDerWaalsContact C-N 3.29Å; E15-M17 PolarHBondContact O-N 2.86Å; E15-Q18 WeakPolarHBondContact O-CB 3.5Å; E15-Q18 PolarHBondContact O-N 2.94Å; E15-Q18 VanDerWaalsContact O-N 3.13Å; E15-Q19 PolarHBondContact O-N 3.22Å
16D98.3Very high98.1Very high127 Ų12757.5 Ų57.568%0.67931%0.309SS*.Hα-helixtrans-57.9-42.4174.9-63.8-21.6000111.9S14 Q19 D20S14-D16 VanDerWaalsContact C-N 3.29Å; S14-D16 PolarHBondContact O-N 2.79Å; D16-Q19 PolarHBondContact O-N 3.02Å; D16-D20 WeakPolarHBondContact O-CB 3.28Å; D16-D20 PolarHBondContact O-N 2.81Å
17M98.6Very high98.2Very high21 Ų2160.9 Ų60.910%0.10332%0.319CS..Hα-helixtrans-71.9-32.1178.7-167.1179.6-61.800111.8M13 S14 E15 D20 A21 F46 Y50 W54M13-M17 HydrophobicContact CB-CB 4.4Å; M13-M17 HydrophobicContact CB-SD 4.11Å; M13-M17 HydrophobicContact CE-CG 3.72Å; M13-M17 HydrophobicContact CE-SD 3.46Å; M13-M17 WeakPolarHBondContact CE-SD 3.46Å; M13-M17 HydrophobicContact SD-CB 3.98Å; M13-M17 HydrophobicContact SD-CG 3.78Å; M13-M17 HydrophobicContact SD-SD 4.18Å; S14-M17 PolarHBondContact O-N 3.03Å; S14-M17 WeakPolarHBondContact OG-CB 3.44Å; S14-M17 PolarHBondContact OG-N 3.11Å; E15-M17 VanDerWaalsContact C-N 3.29Å; E15-M17 PolarHBondContact O-N 2.86Å; M17-D20 PolarHBondContact O-N 2.98Å; M17-A21 WeakPolarHBondContact O-CB 3.49Å; M17-A21 PolarHBondContact O-N 3.48Å; M17-F46 HydrophobicContact CG-CE1 4.02Å; M17-Y50 HydrophobicContact CE-CD1 3.63Å; M17-Y50 HydrophobicContact CE-CE1 3.76Å; M17-Y50 HydrophobicContact CE-CG 4.2Å; M17-Y50 HydrophobicContact CG-CE1 4.22Å; M17-Y50 HydrophobicContact CG-CE2 4.25Å; M17-Y50 HydrophobicContact SD-CD1 4.49Å; M17-W54 HydrophobicContact SD-CH2 3.81Å; M17-W54 HydrophobicContact SD-CZ2 4.2Å
18Q98.7Very high98.2Very high38 Ų3857.9 Ų57.918%0.17830%0.301CS..Hα-helixtrans-65.1-44.4173-62.6178.837.600111I8 A11 M13 S14 E15 A21 V22 I74I8-Q18 HydrophobicContact CD1-CB 4.24Å; I8-Q18 VanDerWaalsContact CD1-OE1 3.28Å; A11-Q18 HydrophobicContact CB-CG 4.2Å; M13-Q18 HydrophobicContact CG-CG 3.56Å; M13-Q18 PolarHBondContact O-NE2 2.91Å; M13-Q18 HydrophobicContact SD-CB 4.4Å; M13-Q18 HydrophobicContact SD-CG 3.75Å; S14-Q18 WeakPolarHBondContact O-CG 3.44Å; S14-Q18 PolarHBondContact O-N 2.96Å; E15-Q18 WeakPolarHBondContact O-CB 3.5Å; E15-Q18 PolarHBondContact O-N 2.94Å; E15-Q18 VanDerWaalsContact O-N 3.13Å; Q18-A21 WeakPolarHBondContact O-CB 3.45Å; Q18-A21 PolarHBondContact O-N 3.49Å; Q18-V22 WeakPolarHBondContact O-CG2 3.37Å; Q18-V22 PolarHBondContact O-N 3.39Å; Q18-I74 HydrophobicContact CB-CD1 3.88Å; Q18-I74 HydrophobicContact CG-CD1 3.94Å
19Q98.3Very high98.1Very high106 Ų10655 Ų5550%0.49529%0.286SS..Hα-helixtrans-62.6-45.5176.1-172.759.552.600110.8E15 D16 A21 V22 D23E15-Q19 PolarHBondContact O-N 3.22Å; D16-Q19 PolarHBondContact O-N 3.02Å; Q19-A21 VanDerWaalsContact C-N 3.27Å; Q19-A21 PolarHBondContact O-N 3.13Å; Q19-V22 PolarHBondContact O-N 3.3Å; Q19-V22 VanDerWaalsContact O-N 3.13Å; Q19-D23 PolarHBondContact NE2-OD1 3.36Å; Q19-D23 PolarHBondContact NE2-OD2 3.16Å; Q19-D23 WeakPolarHBondContact O-CB 3.37Å; Q19-D23 VanDerWaalsContact O-CG 3.3Å; Q19-D23 PolarHBondContact O-N 2.92Å
20D98.4Very high98Very high51 Ų5155.7 Ų55.727%0.27329%0.292SS..Hα-helixtrans-57.9-37.7174.6-79.7-47000112.4D16 M17 C24 K49 Y50D16-D20 WeakPolarHBondContact O-CB 3.28Å; D16-D20 PolarHBondContact O-N 2.81Å; M17-D20 PolarHBondContact O-N 2.98Å; D20-C24 WeakPolarHBondContact O-CB 3.31Å; D20-C24 PolarHBondContact O-N 2.86Å; D20-K49 IonicContact OD1-NZ 2.81Å; D20-K49 PolarHBondContact OD1-NZ 3.35Å; D20-K49 IonicContact OD2-NZ 2.7Å; D20-K49 PolarHBondContact OD2-NZ 3.39Å; D20-Y50 VanDerWaalsContact CB-OH 3.23Å; D20-Y50 WeakPolarHBondContact CB-OH 3.33Å; D20-Y50 PolarHBondContact OD2-OH 3.03Å
21A98.7Very high98Very high0 Ų057.6 Ų57.60%030%0.295CS..Hα-helixtrans-66.7-42.8175.900000112.1M17 Q18 Q19 A25 F46 I74 F76 L85M17-A21 WeakPolarHBondContact O-CB 3.49Å; M17-A21 PolarHBondContact O-N 3.48Å; Q18-A21 WeakPolarHBondContact O-CB 3.45Å; Q18-A21 PolarHBondContact O-N 3.49Å; Q19-A21 VanDerWaalsContact C-N 3.27Å; Q19-A21 PolarHBondContact O-N 3.13Å; A21-A25 VanDerWaalsContact O-CB 3.28Å; A21-A25 WeakPolarHBondContact O-CB 3.47Å; A21-A25 PolarHBondContact O-N 3.13Å; A21-F46 VanDerWaalsContact CA-CZ 3.47Å; A21-F46 HydrophobicContact CB-CE1 4.39Å; A21-F46 HydrophobicContact CB-CE2 4.2Å; A21-F46 HydrophobicContact CB-CZ 3.59Å; A21-I74 HydrophobicContact CB-CD1 4.19Å; A21-I74 HydrophobicContact CB-CG2 4.03Å; A21-F76 HydrophobicContact CB-CE1 4.35Å; A21-L85 HydrophobicContact CB-CD2 4.1Å
22V98.4Very high97.9Very high15 Ų1559.3 Ų59.39%0.09130%0.295CS..Hα-helixtrans-64.9-45177.2168.80000111.1A6 Q18 Q19 A25 T26 F76 L78A6-V22 HydrophobicContact CB-CB 4.41Å; A6-V22 HydrophobicContact CB-CG1 3.61Å; A6-V22 HydrophobicContact CB-CG2 3.84Å; Q18-V22 WeakPolarHBondContact O-CG2 3.37Å; Q18-V22 PolarHBondContact O-N 3.39Å; Q19-V22 PolarHBondContact O-N 3.3Å; Q19-V22 VanDerWaalsContact O-N 3.13Å; V22-A25 PolarHBondContact O-N 2.86Å; V22-T26 WeakPolarHBondContact O-CB 3.45Å; V22-T26 PolarHBondContact O-N 3.41Å; V22-T26 PolarHBondContact O-OG1 3.22Å; V22-F76 HydrophobicContact CG2-CD2 4.08Å; V22-F76 HydrophobicContact CG2-CE2 3.93Å; V22-F76 HydrophobicContact CG2-CZ 4.38Å; V22-L78 HydrophobicContact CG1-CD2 4.44Å
23D98.2Very high97.7Very high65 Ų6564 Ų6435%0.34832%0.321SS..Hα-helixtrans-66.6-44.5180-68.3-16.1000110.9Q19 A25 T26 Q27Q19-D23 PolarHBondContact NE2-OD1 3.36Å; Q19-D23 PolarHBondContact NE2-OD2 3.16Å; Q19-D23 WeakPolarHBondContact O-CB 3.37Å; Q19-D23 VanDerWaalsContact O-CG 3.3Å; Q19-D23 PolarHBondContact O-N 2.92Å; D23-A25 PolarHBondContact O-N 2.77Å; D23-T26 PolarHBondContact O-N 3.1Å; D23-Q27 WeakPolarHBondContact O-CG 3.47Å; D23-Q27 PolarHBondContact O-N 3.26Å
24C98.5Very high97.7Very high12 Ų1267.7 Ų67.78%0.08134%0.34CS..Hα-helixtrans-60.5-44.8175.9-174.20000111.5D20 Q27 A28 F46D20-C24 WeakPolarHBondContact O-CB 3.31Å; D20-C24 PolarHBondContact O-N 2.86Å; C24-Q27 PolarHBondContact O-N 2.87Å; C24-A28 WeakPolarHBondContact O-CB 3.28Å; C24-A28 PolarHBondContact O-N 3.47Å; C24-F46 HydrophobicContact CB-CE2 4.07Å
25A98.3Very high97.6Very high0 Ų068.4 Ų68.40%034%0.336CS..Hα-helixtrans-67.4-35.7177.200000112.6A21 V22 D23 A28 M29 I42 F76 L78 I83A21-A25 VanDerWaalsContact O-CB 3.28Å; A21-A25 WeakPolarHBondContact O-CB 3.47Å; A21-A25 PolarHBondContact O-N 3.13Å; V22-A25 PolarHBondContact O-N 2.86Å; D23-A25 PolarHBondContact O-N 2.77Å; A25-A28 PolarHBondContact O-N 2.96Å; A25-M29 WeakPolarHBondContact O-CB 3.46Å; A25-M29 VanDerWaalsContact O-CG 3.31Å; A25-M29 WeakPolarHBondContact O-CG 3.23Å; A25-M29 PolarHBondContact O-N 3.41Å; A25-I42 HydrophobicContact CB-CD1 3.68Å; A25-I42 HydrophobicContact CB-CG1 4.34Å; A25-F76 HydrophobicContact CB-CE2 4.02Å; A25-F76 HydrophobicContact CB-CZ 3.67Å; A25-L78 HydrophobicContact CB-CD1 3.58Å; A25-I83 HydrophobicContact CB-CG1 4.46Å
26T97.3Very high97.7Very high43 Ų4367.5 Ų67.526%0.26433%0.329SS..Hα-helixtrans-62.1-50174.9-60.30000110.6V22 D23 A28 M29 E30V22-T26 WeakPolarHBondContact O-CB 3.45Å; V22-T26 PolarHBondContact O-N 3.41Å; V22-T26 PolarHBondContact O-OG1 3.22Å; D23-T26 PolarHBondContact O-N 3.1Å; T26-A28 VanDerWaalsContact C-N 3.32Å; T26-A28 PolarHBondContact O-N 3.48Å; T26-M29 PolarHBondContact O-N 3.26Å; T26-E30 WeakPolarHBondContact O-CG 3.47Å; T26-E30 PolarHBondContact O-N 2.95Å; T26-E30 VanDerWaalsContact O-N 3.1Å
27Q97.4Very high97.7Very high103 Ų10363.7 Ų63.748%0.48131%0.309SS..Hα-helixtrans-60-42175.5-68.2171.73700112.1D23 C24 M29 E30 K31D23-Q27 WeakPolarHBondContact O-CG 3.47Å; D23-Q27 PolarHBondContact O-N 3.26Å; C24-Q27 PolarHBondContact O-N 2.87Å; Q27-M29 VanDerWaalsContact C-N 3.33Å; Q27-M29 PolarHBondContact O-N 2.82Å; Q27-E30 PolarHBondContact O-N 2.96Å; Q27-K31 PolarHBondContact O-N 3.4Å; Q27-K31 VanDerWaalsContact O-N 3.14Å
28A98.1Very high97.7Very high0 Ų063.2 Ų63.20%031%0.307CS..Hα-helixtrans-60-43.6177.600000111.8C24 A25 T26 E30 K31 Y32 I38 Y41 I42C24-A28 WeakPolarHBondContact O-CB 3.28Å; C24-A28 PolarHBondContact O-N 3.47Å; A25-A28 PolarHBondContact O-N 2.96Å; T26-A28 VanDerWaalsContact C-N 3.32Å; T26-A28 PolarHBondContact O-N 3.48Å; A28-E30 VanDerWaalsContact C-N 3.33Å; A28-E30 PolarHBondContact O-N 3.45Å; A28-K31 PolarHBondContact O-N 2.97Å; A28-Y32 WeakPolarHBondContact O-CB 3.11Å; A28-Y32 WeakPolarHBondContact O-CD2 3.43Å; A28-Y32 PolarHBondContact O-N 3.37Å; A28-I38 HydrophobicContact CB-CB 4.47Å; A28-I38 HydrophobicContact CB-CG2 3.76Å; A28-Y41 HydrophobicContact CB-CD1 3.49Å; A28-Y41 VanDerWaalsContact CB-CD1 3.49Å; A28-Y41 HydrophobicContact CB-CE1 4.11Å; A28-Y41 HydrophobicContact CB-CG 4.2Å; A28-I42 HydrophobicContact CB-CD1 4.32Å; A28-I42 HydrophobicContact CB-CG1 3.93Å
29M96Very high97.7Very high13 Ų1362 Ų626%0.06430%0.303CS..Hα-helixtrans-73.9-19.2179.7-73.2-151.8-5100114.5R4 A25 T26 Q27 I38 L78 V81R4-M29 HydrophobicContact CB-CE 4.47Å; R4-M29 PolarHBondContact NH1-SD 2.82Å; R4-M29 VanDerWaalsContact NH1-SD 3.41Å; A25-M29 WeakPolarHBondContact O-CB 3.46Å; A25-M29 VanDerWaalsContact O-CG 3.31Å; A25-M29 WeakPolarHBondContact O-CG 3.23Å; A25-M29 PolarHBondContact O-N 3.41Å; T26-M29 PolarHBondContact O-N 3.26Å; Q27-M29 VanDerWaalsContact C-N 3.33Å; Q27-M29 PolarHBondContact O-N 2.82Å; M29-I38 HydrophobicContact CG-CD1 4.15Å; M29-I38 HydrophobicContact CG-CG2 4.16Å; M29-L78 HydrophobicContact CE-CB 3.47Å; M29-L78 VanDerWaalsContact CE-CB 3.47Å; M29-L78 HydrophobicContact CE-CD1 3.83Å; M29-L78 HydrophobicContact CE-CG 4.23Å; M29-L78 HydrophobicContact SD-CB 4.28Å; M29-V81 HydrophobicContact SD-CB 4.48Å
30E95.5Very high97.7Very high141 Ų14158.8 Ų58.866%0.65930%0.295SS*.Hα-helixtrans-78.3-33.1170.6-71.9177.8171.200111.5T26 Q27 A28T26-E30 WeakPolarHBondContact O-CG 3.47Å; T26-E30 PolarHBondContact O-N 2.95Å; T26-E30 VanDerWaalsContact O-N 3.1Å; Q27-E30 PolarHBondContact O-N 2.96Å; A28-E30 VanDerWaalsContact C-N 3.33Å; A28-E30 PolarHBondContact O-N 3.45Å
31K96.9Very high97.7Very high137 Ų13758.5 Ų58.560%0.59629%0.29SS*.Hα-helixtrans-88.9-31.1-175.9-171.2172.4179.7-173.70114Q27 A28Q27-K31 PolarHBondContact O-N 3.4Å; Q27-K31 VanDerWaalsContact O-N 3.14Å; A28-K31 PolarHBondContact O-N 2.97Å
32Y97.3Very high97.7Very high68 Ų6858.5 Ų58.527%0.26729%0.29SS..  trans-127.6142.7-171.6-55.8-72.8000111.7A28 D37 Y41A28-Y32 WeakPolarHBondContact O-CB 3.11Å; A28-Y32 WeakPolarHBondContact O-CD2 3.43Å; A28-Y32 PolarHBondContact O-N 3.37Å; Y32-D37 HydrophobicContact CD1-CB 3.92Å; Y32-D37 HydrophobicContact CG-CB 4.04Å; Y32-Y41 HydrophobicContact CD2-CG 4.47Å; Y32-Y41 AromaticContact CE2-CD2 3.66Å; Y32-Y41 HydrophobicContact CE2-CD2 3.66Å; Y32-Y41 HydrophobicContact CE2-CE2 4.48Å; Y32-Y41 AromaticContact CE2-CG 3.8Å; Y32-Y41 HydrophobicContact CE2-CG 3.8Å
33N94.4Very high97.8Very high159 Ų15960.5 Ų60.585%0.8530%0.298SS*.SBendtrans-104.3-12.6179-67.2-46.8000113.8
34I97.3Very high97.8Very high94 Ų9464.1 Ų64.148%0.48231%0.31SS..SBendtrans-104.3127.9-176.3-57.8177.1000108.6K36 D37 I38I34-K36 HydrophobicContact CG2-CB 4.11Å; I34-K36 PolarHBondContact O-N 2.7Å; I34-K36 VanDerWaalsContact O-N 3.17Å; I34-D37 PolarHBondContact O-N 2.81Å; I34-I38 PolarHBondContact O-N 2.87Å; I34-I38 VanDerWaalsContact O-N 3.15Å
35E98.1Very high97.8Very high80 Ų8066.9 Ų66.937%0.37432%0.322SS..Hα-helixtrans-55.9-38.1-175.3-66.896159.600113D37 I38 A39 V58E35-D37 VanDerWaalsContact C-N 3.3Å; E35-D37 PolarHBondContact O-N 2.85Å; E35-I38 PolarHBondContact O-N 2.95Å; E35-A39 WeakPolarHBondContact O-CB 3.28Å; E35-A39 PolarHBondContact O-N 2.6Å; E35-V58 HydrophobicContact CB-CB 4.15Å; E35-V58 HydrophobicContact CB-CG1 3.98Å; E35-V58 WeakPolarHBondContact CB-O 3.48Å; E35-V58 HydrophobicContact CG-CG1 3.98Å
36K98.3Very high97.8Very high144 Ų14467.1 Ų67.163%0.62632%0.323SS*.Hα-helixtrans-55-44.4175-178.1-17565.566.90112.3I34 A40I34-K36 HydrophobicContact CG2-CB 4.11Å; I34-K36 PolarHBondContact O-N 2.7Å; I34-K36 VanDerWaalsContact O-N 3.17Å; K36-A40 VanDerWaalsContact O-CB 3.3Å; K36-A40 WeakPolarHBondContact O-CB 3.43Å; K36-A40 PolarHBondContact O-N 2.92Å
37D98.6Very high97.9Very high48 Ų4866.5 Ų66.526%0.25732%0.318SS..Hα-helixtrans-77-34.8-174.9-63.1-28.1000111.3Y32 I34 E35 A40 Y41Y32-D37 HydrophobicContact CD1-CB 3.92Å; Y32-D37 HydrophobicContact CG-CB 4.04Å; I34-D37 PolarHBondContact O-N 2.81Å; E35-D37 VanDerWaalsContact C-N 3.3Å; E35-D37 PolarHBondContact O-N 2.85Å; D37-A40 PolarHBondContact O-N 3.45Å; D37-Y41 WeakPolarHBondContact O-CB 3.43Å; D37-Y41 PolarHBondContact O-N 2.9Å
38I98.7Very high97.9Very high11 Ų1169.5 Ų69.56%0.05633%0.33CS..Hα-helixtrans-59.7-52.3170.4-61.4165.6000109.7A28 M29 I34 E35 A40 Y41 I42 V58A28-I38 HydrophobicContact CB-CB 4.47Å; A28-I38 HydrophobicContact CB-CG2 3.76Å; M29-I38 HydrophobicContact CG-CD1 4.15Å; M29-I38 HydrophobicContact CG-CG2 4.16Å; I34-I38 PolarHBondContact O-N 2.87Å; I34-I38 VanDerWaalsContact O-N 3.15Å; E35-I38 PolarHBondContact O-N 2.95Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-A40 PolarHBondContact O-N 3.43Å; I38-Y41 PolarHBondContact O-N 2.96Å; I38-I42 HydrophobicContact CG2-CD1 3.9Å; I38-I42 WeakPolarHBondContact O-CG1 3.43Å; I38-I42 PolarHBondContact O-N 3.14Å; I38-I42 VanDerWaalsContact O-N 3.08Å; I38-V58 HydrophobicContact CB-CG1 4.43Å; I38-V58 HydrophobicContact CG2-CG1 4.16Å; I38-V58 HydrophobicContact CG2-CG2 4.03Å
39A98.8Very high98Very high13 Ų1375.1 Ų75.111%0.10735%0.354CS..Hα-helixtrans-59.7-44.1179.100000112E35 Y41 I42 K43 C56 V58E35-A39 WeakPolarHBondContact O-CB 3.28Å; E35-A39 PolarHBondContact O-N 2.6Å; A39-Y41 VanDerWaalsContact C-N 3.33Å; A39-Y41 PolarHBondContact O-N 2.93Å; A39-I42 PolarHBondContact O-N 3.02Å; A39-K43 VanDerWaalsContact O-CB 3.29Å; A39-K43 WeakPolarHBondContact O-CB 3.11Å; A39-K43 PolarHBondContact O-N 3.33Å; A39-C56 HydrophobicContact CB-CB 4.29Å; A39-C56 WeakPolarHBondContact O-CB 3.49Å; A39-V58 HydrophobicContact CB-CB 4.2Å; A39-V58 HydrophobicContact CB-CG2 3.73Å
40A98.8Very high98.1Very high38 Ų3876.3 Ų76.331%0.31436%0.358SS..Hα-helixtrans-63.7-37.2178.500000112.6K36 D37 I38 K44K36-A40 VanDerWaalsContact O-CB 3.3Å; K36-A40 WeakPolarHBondContact O-CB 3.43Å; K36-A40 PolarHBondContact O-N 2.92Å; D37-A40 PolarHBondContact O-N 3.45Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-A40 PolarHBondContact O-N 3.43Å; A40-K44 WeakPolarHBondContact O-CB 3.38Å; A40-K44 VanDerWaalsContact O-CG 3.23Å; A40-K44 WeakPolarHBondContact O-CG 3.38Å; A40-K44 PolarHBondContact O-N 3Å; A40-K44 VanDerWaalsContact O-N 3.15Å
41Y98.8Very high98.2Very high44 Ų4474.9 Ų74.917%0.17336%0.355CS..Hα-helixtrans-65.2-52.8175.8178.3-90.9000111.3A28 Y32 D37 I38 A39 K43 K44 E45A28-Y41 HydrophobicContact CB-CD1 3.49Å; A28-Y41 VanDerWaalsContact CB-CD1 3.49Å; A28-Y41 HydrophobicContact CB-CE1 4.11Å; A28-Y41 HydrophobicContact CB-CG 4.2Å; Y32-Y41 HydrophobicContact CD2-CG 4.47Å; Y32-Y41 AromaticContact CE2-CD2 3.66Å; Y32-Y41 HydrophobicContact CE2-CD2 3.66Å; Y32-Y41 HydrophobicContact CE2-CE2 4.48Å; Y32-Y41 AromaticContact CE2-CG 3.8Å; Y32-Y41 HydrophobicContact CE2-CG 3.8Å; D37-Y41 WeakPolarHBondContact O-CB 3.43Å; D37-Y41 PolarHBondContact O-N 2.9Å; I38-Y41 PolarHBondContact O-N 2.96Å; A39-Y41 VanDerWaalsContact C-N 3.33Å; A39-Y41 PolarHBondContact O-N 2.93Å; Y41-K43 VanDerWaalsContact C-N 3.34Å; Y41-K43 PolarHBondContact O-N 2.92Å; Y41-K44 PolarHBondContact O-N 2.9Å; Y41-E45 HydrophobicContact CD1-CG 4.38Å; Y41-E45 HydrophobicContact CE1-CG 4Å; Y41-E45 HydrophobicContact CE2-CG 4.23Å; Y41-E45 PolarHBondContact O-N 3.3Å
42I98.8Very high98.2Very high0 Ų072.2 Ų72.20%035%0.352CS..Hα-helixtrans-58.3-47.9-179.1-61.5164000110.4A25 A28 I38 A39 K44 E45 F46 V58 I83 L85A25-I42 HydrophobicContact CB-CD1 3.68Å; A25-I42 HydrophobicContact CB-CG1 4.34Å; A28-I42 HydrophobicContact CB-CD1 4.32Å; A28-I42 HydrophobicContact CB-CG1 3.93Å; I38-I42 HydrophobicContact CG2-CD1 3.9Å; I38-I42 WeakPolarHBondContact O-CG1 3.43Å; I38-I42 PolarHBondContact O-N 3.14Å; I38-I42 VanDerWaalsContact O-N 3.08Å; A39-I42 PolarHBondContact O-N 3.02Å; I42-K44 PolarHBondContact O-N 3.31Å; I42-E45 PolarHBondContact O-N 2.8Å; I42-F46 HydrophobicContact CG2-CD2 4.16Å; I42-F46 HydrophobicContact CG2-CE2 4.5Å; I42-F46 WeakPolarHBondContact O-CB 3.32Å; I42-F46 PolarHBondContact O-N 2.99Å; I42-V58 HydrophobicContact CD1-CG2 4.36Å; I42-I83 HydrophobicContact CD1-CG2 4.12Å; I42-L85 HydrophobicContact CG2-CD1 4.02Å; I42-L85 HydrophobicContact CG2-CD2 3.83Å; I42-L85 HydrophobicContact CG2-CG 4.47Å
43K98.8Very high98.3Very high58 Ų5871.7 Ų71.725%0.25236%0.356SS..Hα-helixtrans-55-48.8177.6-171.4-141.3-176.4-54.30111.9A39 Y41 F46 D47 W54 C56A39-K43 VanDerWaalsContact O-CB 3.29Å; A39-K43 WeakPolarHBondContact O-CB 3.11Å; A39-K43 PolarHBondContact O-N 3.33Å; Y41-K43 VanDerWaalsContact C-N 3.34Å; Y41-K43 PolarHBondContact O-N 2.92Å; K43-F46 PolarHBondContact O-N 2.88Å; K43-D47 IonicContact NZ-OD1 3.53Å; K43-D47 IonicContact NZ-OD2 2.63Å; K43-D47 PolarHBondContact NZ-OD2 3.44Å; K43-D47 WeakPolarHBondContact O-CB 3.48Å; K43-D47 VanDerWaalsContact O-CG 3.28Å; K43-D47 PolarHBondContact O-N 3.39Å; K43-W54 WeakPolarHBondContact CE-O 3.42Å; K43-W54 HydrophobicContact CG-CB 4.33Å; K43-W54 WeakPolarHBondContact CG-O 3.22Å; K43-W54 PolarHBondContact NZ-O 2.89Å; K43-C56 HydrophobicContact CB-CB 4.03Å
44K98.8Very high98.5Very high140 Ų14064.1 Ų64.161%0.60932%0.315SS*.Hα-helixtrans-65.6-41.2-177.7-77.1175-179.8-178.30112.5A40 Y41 I42 K48A40-K44 WeakPolarHBondContact O-CB 3.38Å; A40-K44 VanDerWaalsContact O-CG 3.23Å; A40-K44 WeakPolarHBondContact O-CG 3.38Å; A40-K44 PolarHBondContact O-N 3Å; A40-K44 VanDerWaalsContact O-N 3.15Å; Y41-K44 PolarHBondContact O-N 2.9Å; I42-K44 PolarHBondContact O-N 3.31Å; K44-K48 WeakPolarHBondContact O-CB 3.34Å; K44-K48 PolarHBondContact O-N 3.45Å
45E98.8Very high98.6Very high71 Ų7162.9 Ų62.933%0.33231%0.307SS..Hα-helixtrans-66.2-40.1176.9-70.7-57127.700111.2Y41 I42 K48 K49Y41-E45 HydrophobicContact CD1-CG 4.38Å; Y41-E45 HydrophobicContact CE1-CG 4Å; Y41-E45 HydrophobicContact CE2-CG 4.23Å; Y41-E45 PolarHBondContact O-N 3.3Å; I42-E45 PolarHBondContact O-N 2.8Å; E45-K48 PolarHBondContact O-N 2.83Å; E45-K49 WeakPolarHBondContact O-CB 3.48Å; E45-K49 PolarHBondContact O-N 3.37Å
46F98.7Very high98.6Very high4 Ų460.1 Ų60.12%0.01830%0.297CS..Hα-helixtrans-69.6-39.8176.3-92.5-107.2000113.3M17 A21 C24 I42 K43 K48 K49 Y50 W54 L85M17-F46 HydrophobicContact CG-CE1 4.02Å; A21-F46 VanDerWaalsContact CA-CZ 3.47Å; A21-F46 HydrophobicContact CB-CE1 4.39Å; A21-F46 HydrophobicContact CB-CE2 4.2Å; A21-F46 HydrophobicContact CB-CZ 3.59Å; C24-F46 HydrophobicContact CB-CE2 4.07Å; I42-F46 HydrophobicContact CG2-CD2 4.16Å; I42-F46 HydrophobicContact CG2-CE2 4.5Å; I42-F46 WeakPolarHBondContact O-CB 3.32Å; I42-F46 PolarHBondContact O-N 2.99Å; K43-F46 PolarHBondContact O-N 2.88Å; F46-K48 VanDerWaalsContact C-N 3.26Å; F46-K48 PolarHBondContact O-N 3.32Å; F46-K49 PolarHBondContact O-N 2.98Å; F46-Y50 HydrophobicContact CB-CD2 4.37Å; F46-Y50 AromaticContact CD1-CD2 3.4Å; F46-Y50 HydrophobicContact CD1-CD2 3.4Å; F46-Y50 AromaticContact CD1-CE2 3.66Å; F46-Y50 HydrophobicContact CD1-CE2 3.66Å; F46-Y50 AromaticContact CE1-CD2 3.68Å; F46-Y50 HydrophobicContact CE1-CD2 3.68Å; F46-Y50 AromaticContact CE1-CE2 3.47Å; F46-Y50 HydrophobicContact CE1-CE2 3.47Å; F46-Y50 VanDerWaalsContact CE1-CE2 3.47Å; F46-Y50 HydrophobicContact CE2-CE2 4.34Å; F46-Y50 AromaticContact CG-CD2 3.94Å; F46-Y50 HydrophobicContact CG-CD2 3.94Å; F46-Y50 HydrophobicContact CG-CE2 4.18Å; F46-Y50 HydrophobicContact CZ-CD2 4.41Å; F46-Y50 AromaticContact CZ-CE2 3.82Å; F46-Y50 HydrophobicContact CZ-CE2 3.82Å; F46-Y50 WeakPolarHBondContact O-CA 3.49Å; F46-Y50 PolarHBondContact O-N 3.08Å; F46-W54 VanDerWaalsContact C-CD1 3.47Å; F46-W54 HydrophobicContact CB-CB 4.21Å; F46-W54 HydrophobicContact CB-CD2 3.8Å; F46-W54 HydrophobicContact CB-CE3 4.35Å; F46-W54 HydrophobicContact CB-CG 3.72Å; F46-W54 AromaticContact CD1-CD2 3.88Å; F46-W54 HydrophobicContact CD1-CD2 3.88Å; F46-W54 AromaticContact CD1-CE2 3.8Å; F46-W54 AromaticContact CD1-CE3 3.85Å; F46-W54 HydrophobicContact CD1-CE3 3.85Å; F46-W54 AromaticContact CD1-CH2 3.67Å; F46-W54 HydrophobicContact CD1-CH2 3.67Å; F46-W54 AromaticContact CD1-CZ2 3.69Å; F46-W54 HydrophobicContact CD1-CZ2 3.69Å; F46-W54 AromaticContact CD1-CZ3 3.76Å; F46-W54 HydrophobicContact CD1-CZ3 3.76Å; F46-W54 HydrophobicContact CE1-CH2 4.05Å; F46-W54 HydrophobicContact CE1-CZ2 4.38Å; F46-W54 HydrophobicContact CE1-CZ3 4.24Å; F46-W54 HydrophobicContact CG-CD2 4.3Å; F46-W54 HydrophobicContact CG-CE3 4.46Å; F46-W54 PolarHBondContact O-NE1 3.36Å; F46-L85 HydrophobicContact CD1-CD2 3.66Å; F46-L85 HydrophobicContact CD1-CG 4.44Å; F46-L85 HydrophobicContact CD2-CD2 3.85Å; F46-L85 HydrophobicContact CE1-CD2 3.62Å; F46-L85 HydrophobicContact CE2-CD2 3.81Å; F46-L85 HydrophobicContact CG-CD1 4.45Å; F46-L85 HydrophobicContact CG-CD2 3.8Å; F46-L85 HydrophobicContact CZ-CD2 3.71Å
47D98.7Very high98.6Very high31 Ų3156.3 Ų56.317%0.16628%0.282CS..Hα-helixtrans-57.3-42.8171-76.4-28.4000111.2K43 N51 P52 W54K43-D47 IonicContact NZ-OD1 3.53Å; K43-D47 IonicContact NZ-OD2 2.63Å; K43-D47 PolarHBondContact NZ-OD2 3.44Å; K43-D47 WeakPolarHBondContact O-CB 3.48Å; K43-D47 VanDerWaalsContact O-CG 3.28Å; K43-D47 PolarHBondContact O-N 3.39Å; D47-N51 CarbonylContact O-C 3.3Å; D47-N51 VanDerWaalsContact O-C 3.3Å; D47-N51 WeakPolarHBondContact O-CA 3.28Å; D47-N51 PolarHBondContact O-N 3.19Å; D47-P52 HydrophobicContact CB-CB 4.45Å; D47-P52 WeakPolarHBondContact OD1-CA 3.5Å; D47-W54 WeakPolarHBondContact OD1-CB 3.2Å; D47-W54 PolarHBondContact OD1-N 3.17Å
48K98.6Very high98.6Very high166 Ų16654.8 Ų54.872%0.72227%0.274SS*.Hα-helixtrans-70.2-41.2-179.3-176.5-176.9174.9-169.20112.5K44 E45 F46K44-K48 WeakPolarHBondContact O-CB 3.34Å; K44-K48 PolarHBondContact O-N 3.45Å; E45-K48 PolarHBondContact O-N 2.83Å; F46-K48 VanDerWaalsContact C-N 3.26Å; F46-K48 PolarHBondContact O-N 3.32Å
49K98.5Very high98.6Very high117 Ų11754.7 Ų54.751%0.50928%0.277SS..Hα-helixtrans-86.4-36.9-173.7-172.1173.1175.8-172.70113.3D20 E45 F46D20-K49 IonicContact OD1-NZ 2.81Å; D20-K49 PolarHBondContact OD1-NZ 3.35Å; D20-K49 IonicContact OD2-NZ 2.7Å; D20-K49 PolarHBondContact OD2-NZ 3.39Å; E45-K49 WeakPolarHBondContact O-CB 3.48Å; E45-K49 PolarHBondContact O-N 3.37Å; F46-K49 PolarHBondContact O-N 2.98Å
50Y98.3Very high98.5Very high38 Ų3860.7 Ų60.715%0.14930%0.296CS..Hα-helixtrans-120.517.5-172.7-53.4-73.7000113.8M17 D20 F46 W54 K87M17-Y50 HydrophobicContact CE-CD1 3.63Å; M17-Y50 HydrophobicContact CE-CE1 3.76Å; M17-Y50 HydrophobicContact CE-CG 4.2Å; M17-Y50 HydrophobicContact CG-CE1 4.22Å; M17-Y50 HydrophobicContact CG-CE2 4.25Å; M17-Y50 HydrophobicContact SD-CD1 4.49Å; D20-Y50 VanDerWaalsContact CB-OH 3.23Å; D20-Y50 WeakPolarHBondContact CB-OH 3.33Å; D20-Y50 PolarHBondContact OD2-OH 3.03Å; F46-Y50 HydrophobicContact CB-CD2 4.37Å; F46-Y50 AromaticContact CD1-CD2 3.4Å; F46-Y50 HydrophobicContact CD1-CD2 3.4Å; F46-Y50 AromaticContact CD1-CE2 3.66Å; F46-Y50 HydrophobicContact CD1-CE2 3.66Å; F46-Y50 AromaticContact CE1-CD2 3.68Å; F46-Y50 HydrophobicContact CE1-CD2 3.68Å; F46-Y50 AromaticContact CE1-CE2 3.47Å; F46-Y50 HydrophobicContact CE1-CE2 3.47Å; F46-Y50 VanDerWaalsContact CE1-CE2 3.47Å; F46-Y50 HydrophobicContact CE2-CE2 4.34Å; F46-Y50 AromaticContact CG-CD2 3.94Å; F46-Y50 HydrophobicContact CG-CD2 3.94Å; F46-Y50 HydrophobicContact CG-CE2 4.18Å; F46-Y50 HydrophobicContact CZ-CD2 4.41Å; F46-Y50 AromaticContact CZ-CE2 3.82Å; F46-Y50 HydrophobicContact CZ-CE2 3.82Å; F46-Y50 WeakPolarHBondContact O-CA 3.49Å; F46-Y50 PolarHBondContact O-N 3.08Å; Y50-W54 HydrophobicContact CD2-CZ2 4.27Å; Y50-W54 HydrophobicContact CG-CZ2 4.24Å; Y50-K87 PolarHBondContact O-NZ 3.39Å
51N98.1Very high98.3Very high112 Ų11266.3 Ų66.360%0.59932%0.321SS*.  trans66.2146.3-176.5-48.7-71.6000113.2D47 W54 K87D47-N51 CarbonylContact O-C 3.3Å; D47-N51 VanDerWaalsContact O-C 3.3Å; D47-N51 WeakPolarHBondContact O-CA 3.28Å; D47-N51 PolarHBondContact O-N 3.19Å; N51-W54 PolarHBondContact O-NE1 3.36Å; N51-K87 PolarHBondContact O-NZ 3.39Å
52P98.2Very high98.3Very high81 Ų8167.2 Ų67.253%0.52633%0.326SS..SBendtrans-65.2162.5175.828.2-35.5000112.5D47 K87D47-P52 HydrophobicContact CB-CB 4.45Å; D47-P52 WeakPolarHBondContact OD1-CA 3.5Å; P52-K87 WeakPolarHBondContact O-CE 3.41Å; P52-K87 PolarHBondContact O-NZ 3.02Å
53T97.9Very high98.2Very high57 Ų5771 Ų7135%0.3537%0.365SS..  cis-113.1114.24.7-54.40000112.1K87 S88T53-K87 WeakPolarHBondContact O-CA 3.32Å; T53-K87 WeakPolarHBondContact O-CG 3.23Å; T53-S88 PolarHBondContact O-N 3.15Å
54W98.8Very high98.1Very high0 Ų071.1 Ų71.10%037%0.373CS..EExtended strand (participates in β ladder)trans-89.5151.1173.3-6983.5000112.1M13 M17 K43 F46 D47 Y50 N51 H72 L85 F86 K87M13-W54 HydrophobicContact CE-CH2 3.88Å; M13-W54 HydrophobicContact CE-CZ3 4.06Å; M17-W54 HydrophobicContact SD-CH2 3.81Å; M17-W54 HydrophobicContact SD-CZ2 4.2Å; K43-W54 WeakPolarHBondContact CE-O 3.42Å; K43-W54 HydrophobicContact CG-CB 4.33Å; K43-W54 WeakPolarHBondContact CG-O 3.22Å; K43-W54 PolarHBondContact NZ-O 2.89Å; F46-W54 VanDerWaalsContact C-CD1 3.47Å; F46-W54 HydrophobicContact CB-CB 4.21Å; F46-W54 HydrophobicContact CB-CD2 3.8Å; F46-W54 HydrophobicContact CB-CE3 4.35Å; F46-W54 HydrophobicContact CB-CG 3.72Å; F46-W54 AromaticContact CD1-CD2 3.88Å; F46-W54 HydrophobicContact CD1-CD2 3.88Å; F46-W54 AromaticContact CD1-CE2 3.8Å; F46-W54 AromaticContact CD1-CE3 3.85Å; F46-W54 HydrophobicContact CD1-CE3 3.85Å; F46-W54 AromaticContact CD1-CH2 3.67Å; F46-W54 HydrophobicContact CD1-CH2 3.67Å; F46-W54 AromaticContact CD1-CZ2 3.69Å; F46-W54 HydrophobicContact CD1-CZ2 3.69Å; F46-W54 AromaticContact CD1-CZ3 3.76Å; F46-W54 HydrophobicContact CD1-CZ3 3.76Å; F46-W54 HydrophobicContact CE1-CH2 4.05Å; F46-W54 HydrophobicContact CE1-CZ2 4.38Å; F46-W54 HydrophobicContact CE1-CZ3 4.24Å; F46-W54 HydrophobicContact CG-CD2 4.3Å; F46-W54 HydrophobicContact CG-CE3 4.46Å; F46-W54 PolarHBondContact O-NE1 3.36Å; D47-W54 WeakPolarHBondContact OD1-CB 3.2Å; D47-W54 PolarHBondContact OD1-N 3.17Å; Y50-W54 HydrophobicContact CD2-CZ2 4.27Å; Y50-W54 HydrophobicContact CG-CZ2 4.24Å; N51-W54 PolarHBondContact O-NE1 3.36Å; W54-H72 HydrophobicContact CH2-CB 3.82Å; W54-H72 AromaticContact CH2-CD2 3.88Å; W54-H72 HydrophobicContact CZ2-CB 4.3Å; W54-H72 AromaticContact CZ2-CD2 3.67Å; W54-H72 HydrophobicContact CZ3-CB 4.28Å; W54-L85 HydrophobicContact CB-CD1 4.45Å; W54-L85 HydrophobicContact CE3-CD1 3.74Å; W54-L85 HydrophobicContact CE3-CD2 4.4Å; W54-L85 HydrophobicContact CE3-CG 3.74Å; W54-L85 HydrophobicContact CZ3-CD1 4.43Å; W54-L85 HydrophobicContact CZ3-CD2 4.37Å; W54-L85 HydrophobicContact CZ3-CG 3.93Å; W54-F86 CarbonylContact C-O 2.86Å; W54-F86 WeakPolarHBondContact CA-O 3.44Å; W54-K87 HydrophobicContact CD2-CB 4.07Å; W54-K87 HydrophobicContact CD2-CG 4.42Å; W54-K87 HydrophobicContact CE3-CB 4.15Å; W54-K87 HydrophobicContact CH2-CB 4.48Å; W54-K87 HydrophobicContact CZ2-CB 4.39Å; W54-K87 HydrophobicContact CZ3-CB 4.36Å
55H98.8Very high98.1Very high68 Ų6875.4 Ų75.432%0.31539%0.387SS..EExtended strand (participates in β ladder)trans-127.9136.5175.9-57.5-86.5000108.2L85 F86 S88H55-L85 WeakPolarHBondContact O-CA 3.14Å; H55-L85 WeakPolarHBondContact O-CD1 3.31Å; H55-F86 HydrophobicContact CB-CD1 4.13Å; H55-F86 HydrophobicContact CB-CD2 4.34Å; H55-F86 HydrophobicContact CB-CE1 3.65Å; H55-F86 HydrophobicContact CB-CE2 3.88Å; H55-F86 HydrophobicContact CB-CG 4.45Å; H55-F86 HydrophobicContact CB-CZ 3.51Å; H55-F86 AromaticContact CD2-CE2 3.8Å; H55-F86 AromaticContact CG-CE2 3.99Å; H55-F86 AromaticContact CG-CZ 3.96Å; H55-F86 PolarHBondContact N-O 2.63Å; H55-F86 PolarHBondContact O-N 2.79Å; H55-S88 PolarHBondContact NE2-O 2.81Å
56C98.8Very high98Very high22 Ų2274.2 Ų74.215%0.14939%0.385CS..EExtended strand (participates in β ladder)trans-134.1134-179-170.30000110.4A39 K43 L84 L85A39-C56 HydrophobicContact CB-CB 4.29Å; A39-C56 WeakPolarHBondContact O-CB 3.49Å; K43-C56 HydrophobicContact CB-CB 4.03Å; C56-L84 CarbonylContact C-O 3.58Å; C56-L84 VanDerWaalsContact CA-O 3.31Å; C56-L84 WeakPolarHBondContact CA-O 3.49Å; C56-L85 HydrophobicContact CB-CD1 3.96Å
57I98.8Very high98Very high63 Ų6379.6 Ų79.632%0.32342%0.418SS..EExtended strand (participates in β ladder)trans-124131.8174.7-62.1158.7000107.4F62 I83 L84 F86I57-F62 HydrophobicContact CB-CE2 4.5Å; I57-F62 HydrophobicContact CG2-CD1 4.28Å; I57-F62 HydrophobicContact CG2-CD2 3.98Å; I57-F62 HydrophobicContact CG2-CE1 4.13Å; I57-F62 HydrophobicContact CG2-CE2 3.84Å; I57-F62 HydrophobicContact CG2-CG 4.2Å; I57-F62 HydrophobicContact CG2-CZ 3.91Å; I57-I83 WeakPolarHBondContact O-CA 3.46Å; I57-L84 HydrophobicContact CB-CB 4.27Å; I57-L84 HydrophobicContact CD1-CD2 3.89Å; I57-L84 PolarHBondContact N-O 2.83Å; I57-L84 PolarHBondContact O-N 3.17Å; I57-F86 HydrophobicContact CD1-CE1 4.48Å
58V98.7Very high97.9Very high16 Ų1681.3 Ų81.310%0.09743%0.425CS..EExtended strand (participates in β ladder)trans-129.3131.6178178.70000108E35 I38 A39 I42 V81 A82 I83E35-V58 HydrophobicContact CB-CB 4.15Å; E35-V58 HydrophobicContact CB-CG1 3.98Å; E35-V58 WeakPolarHBondContact CB-O 3.48Å; E35-V58 HydrophobicContact CG-CG1 3.98Å; I38-V58 HydrophobicContact CB-CG1 4.43Å; I38-V58 HydrophobicContact CG2-CG1 4.16Å; I38-V58 HydrophobicContact CG2-CG2 4.03Å; A39-V58 HydrophobicContact CB-CB 4.2Å; A39-V58 HydrophobicContact CB-CG2 3.73Å; I42-V58 HydrophobicContact CD1-CG2 4.36Å; V58-V81 HydrophobicContact CG1-CG1 3.44Å; V58-V81 VanDerWaalsContact CG1-CG1 3.44Å; V58-A82 WeakPolarHBondContact CA-O 3.38Å; V58-I83 HydrophobicContact CG2-CG1 4.16Å; V58-I83 HydrophobicContact CG2-CG2 4.31Å
59G97.9Very high97.9Very high10 Ų1076.3 Ų76.310%0.10340%0.404CS..EExtended strand (participates in β ladder)trans-179.3161.1179.800000113.7A82G59-A82 PolarHBondContact N-O 3.31Å; G59-A82 WeakPolarHBondContact O-CB 3.48Å; G59-A82 PolarHBondContact O-N 3.05Å
60R96.8Very high97.9Very high138 Ų13875.9 Ų75.952%0.52141%0.411SS..SBendtrans-81.8-33.5175.2-63.9-179.2-177.5-129.43.8112.7Q80 V81R60-Q80 VanDerWaalsContact NH1-OE1 3.14Å; R60-V81 HydrophobicContact CG-CG2 4.3Å
61N95.6Very high97.9Very high157 Ų15780.6 Ų80.684%0.8443%0.433SS*.SBendtrans-139.4106.8-177-63.4-53.4000109.6
62F97.9Very high97.9Very high62 Ų6277.5 Ų77.527%0.27242%0.415SS..  trans-156156.6170.466.2-89000110.5I57 Y75 A82 L84I57-F62 HydrophobicContact CB-CE2 4.5Å; I57-F62 HydrophobicContact CG2-CD1 4.28Å; I57-F62 HydrophobicContact CG2-CD2 3.98Å; I57-F62 HydrophobicContact CG2-CE1 4.13Å; I57-F62 HydrophobicContact CG2-CE2 3.84Å; I57-F62 HydrophobicContact CG2-CG 4.2Å; I57-F62 HydrophobicContact CG2-CZ 3.91Å; F62-Y75 HydrophobicContact CE2-CE2 4.35Å; F62-Y75 AromaticContact CZ-CE2 3.96Å; F62-Y75 HydrophobicContact CZ-CE2 3.96Å; F62-A82 HydrophobicContact CD1-CB 4.49Å; F62-A82 HydrophobicContact CE1-CB 3.5Å; F62-A82 HydrophobicContact CZ-CB 3.87Å; F62-L84 HydrophobicContact CE2-CB 4.12Å; F62-L84 HydrophobicContact CE2-CD2 4.32Å; F62-L84 HydrophobicContact CZ-CB 4.09Å
63G96.9Very high97.9Very high79 Ų7974.7 Ų74.781%0.81439%0.394SS*.  trans-118.1151163.700000109.1
64S96.9Very high98Very high61 Ų6172 Ų7243%0.42738%0.378SS..  trans-143.2141.7-17859.20000110.6L84S64-L84 VanDerWaalsContact OG-CD2 3.22Å; S64-L84 WeakPolarHBondContact OG-CD2 3.04Å
65Y97.8Very high98Very high230 Ų23074.3 Ų74.390%0.90239%0.387SS*.  trans-129.2107168.3-164.2-85.3000107.3
66V97.4Very high98Very high47 Ų4771.1 Ų71.129%0.28537%0.372SS..  trans-134147-170.9-59.20000110.8F73 F86V66-F73 HydrophobicContact CG2-CE2 4.16Å; V66-F86 HydrophobicContact CB-CE1 4.28Å; V66-F86 HydrophobicContact CB-CE2 4.07Å; V66-F86 HydrophobicContact CB-CZ 3.9Å; V66-F86 HydrophobicContact CG1-CE1 4.05Å; V66-F86 HydrophobicContact CG1-CE2 4.45Å; V66-F86 HydrophobicContact CG1-CZ 3.79Å; V66-F86 HydrophobicContact CG2-CD1 4.19Å; V66-F86 HydrophobicContact CG2-CD2 4.38Å; V66-F86 HydrophobicContact CG2-CE1 4.1Å; V66-F86 HydrophobicContact CG2-CE2 4.3Å; V66-F86 HydrophobicContact CG2-CG 4.33Å; V66-F86 HydrophobicContact CG2-CZ 4.16Å
67T97.9Very high97.9Very high117 Ų11773.3 Ų73.372%0.71838%0.378SS*.  trans-96.7141166.5-54.20000108.2
68H98.3Very high97.8Very high66 Ų6670.4 Ų70.431%0.30636%0.363SS..  trans-139.1158.9-178.358.5-83.6000110.8F73 F86 K87H68-F73 HydrophobicContact CB-CB 4.43Å; H68-F73 HydrophobicContact CB-CD2 4.25Å; H68-F73 WeakPolarHBondContact CD2-CB 3.47Å; H68-F73 AromaticContact CD2-CG 3.91Å; H68-F73 AromaticContact CE1-CD2 3.72Å; H68-F73 AromaticContact CE1-CG 3.86Å; H68-F73 AromaticContact CG-CD2 3.7Å; H68-F73 AromaticContact ND1-CD2 3.5Å; H68-F73 WeakPolarHBondContact NE2-CB 3.29Å; H68-F73 AromaticContact NE2-CG 3.77Å; H68-F86 HydrophobicContact CB-CB 3.93Å; H68-F86 HydrophobicContact CB-CD2 3.94Å; H68-F86 HydrophobicContact CB-CG 4.33Å; H68-K87 CarbonylContact C-O 3.58Å; H68-K87 VanDerWaalsContact CA-O 3.3Å; H68-K87 WeakPolarHBondContact CA-O 3.32Å; H68-K87 WeakPolarHBondContact CB-O 3.38Å
69E98.1Very high97.6Very high62 Ų6272 Ų7229%0.2938%0.382SS..  trans-68.9142.3170.1-69.1169.2-131.300110.8H72 K87 G89E69-H72 PolarHBondContact O-N 3.46Å; E69-K87 PolarHBondContact N-O 3.41Å; E69-K87 WeakPolarHBondContact OE1-CG 3.43Å; E69-K87 VanDerWaalsContact OE2-CD 3.23Å; E69-K87 WeakPolarHBondContact OE2-CD 3.3Å; E69-K87 WeakPolarHBondContact OE2-CE 3.43Å; E69-G89 PolarHBondContact OE1-N 2.97Å; E69-G89 VanDerWaalsContact OE1-N 3.14Å
70T97.7Very high97.4Very high107 Ų10778.3 Ų78.366%0.65641%0.409SS*.THydrogen-bonded Turntrans-56142.3178.6-41.90000111H72T70-H72 PolarHBondContact O-N 3.22Å; T70-H72 PolarHBondContact O-ND1 3.15Å
71K98.3Very high97.3Very high138 Ų13872.7 Ų72.760%0.639%0.39SS*.THydrogen-bonded Turntrans65.216.5179.1-52.1-173.1178178.90115.6D12 M13D12-K71 VanDerWaalsContact CG-N 3.35Å; D12-K71 CarbonylContact O-C 3.55Å; D12-K71 WeakPolarHBondContact O-CA 3.39Å; D12-K71 PolarHBondContact OD2-N 3.32Å; M13-K71 WeakPolarHBondContact CA-O 3.39Å; M13-K71 VanDerWaalsContact CB-O 3.28Å; M13-K71 WeakPolarHBondContact CB-O 3.44Å
72H98.6Very high97.5Very high47 Ų4765.2 Ų65.222%0.21835%0.35CS..  trans-134.450.1-179.9-58.790.8000112.5D12 W54 E69 T70 F86 K87D12-H72 PolarHBondContact O-N 3.3Å; W54-H72 HydrophobicContact CH2-CB 3.82Å; W54-H72 AromaticContact CH2-CD2 3.88Å; W54-H72 HydrophobicContact CZ2-CB 4.3Å; W54-H72 AromaticContact CZ2-CD2 3.67Å; W54-H72 HydrophobicContact CZ3-CB 4.28Å; E69-H72 PolarHBondContact O-N 3.46Å; T70-H72 PolarHBondContact O-N 3.22Å; T70-H72 PolarHBondContact O-ND1 3.15Å; H72-F86 CarbonylContact O-C 3.57Å; H72-F86 WeakPolarHBondContact O-CA 3.43Å; H72-K87 HydrophobicContact CB-CB 3.43Å; H72-K87 VanDerWaalsContact CB-CB 3.43Å; H72-K87 HydrophobicContact CB-CD 4.19Å; H72-K87 HydrophobicContact CB-CG 4.47Å; H72-K87 PolarHBondContact O-N 2.85Å
73F98.8Very high97.5Very high22 Ų2262.3 Ų62.310%0.09634%0.338CS..EExtended strand (participates in β ladder)trans-140.7135.9178.2174.9-80.9000112.4N10 A11 D12 V66 H68 L84 F86N10-F73 HydrophobicContact CB-CE1 4.18Å; A11-F73 CarbonylContact C-O 3.5Å; A11-F73 WeakPolarHBondContact CA-O 3.22Å; D12-F73 CarbonylContact C-O 3.55Å; D12-F73 HydrophobicContact CB-CB 4.39Å; D12-F73 PolarHBondContact N-O 3.29Å; D12-F73 PolarHBondContact O-N 3.05Å; V66-F73 HydrophobicContact CG2-CE2 4.16Å; H68-F73 HydrophobicContact CB-CB 4.43Å; H68-F73 HydrophobicContact CB-CD2 4.25Å; H68-F73 WeakPolarHBondContact CD2-CB 3.47Å; H68-F73 AromaticContact CD2-CG 3.91Å; H68-F73 AromaticContact CE1-CD2 3.72Å; H68-F73 AromaticContact CE1-CG 3.86Å; H68-F73 AromaticContact CG-CD2 3.7Å; H68-F73 AromaticContact ND1-CD2 3.5Å; H68-F73 WeakPolarHBondContact NE2-CB 3.29Å; H68-F73 AromaticContact NE2-CG 3.77Å; F73-L84 HydrophobicContact CD2-CD1 4.21Å; F73-L84 HydrophobicContact CE2-CD1 3.44Å; F73-L84 VanDerWaalsContact CE2-CD1 3.44Å; F73-L84 HydrophobicContact CZ-CD1 3.67Å; F73-F86 HydrophobicContact CB-CB 4.37Å; F73-F86 HydrophobicContact CD2-CB 3.7Å; F73-F86 HydrophobicContact CE2-CB 4.5Å; F73-F86 HydrophobicContact CG-CB 4.44Å
74I98.9Very high97.6Very high0 Ų058.6 Ų58.60%030%0.299CS..EExtended strand (participates in β ladder)trans-147.7139.2169.9-169.6177.5000111.4I8 A11 M13 Q18 A21 F76 L85I8-I74 HydrophobicContact CD1-CD1 4.42Å; I8-I74 HydrophobicContact CG2-CG1 4.45Å; A11-I74 HydrophobicContact CB-CB 4.45Å; A11-I74 HydrophobicContact CB-CG1 4.05Å; M13-I74 HydrophobicContact CE-CB 4.23Å; M13-I74 HydrophobicContact CE-CG2 4.03Å; M13-I74 HydrophobicContact CG-CB 4.43Å; M13-I74 HydrophobicContact SD-CB 3.8Å; M13-I74 HydrophobicContact SD-CD1 4.27Å; M13-I74 HydrophobicContact SD-CG2 3.96Å; Q18-I74 HydrophobicContact CB-CD1 3.88Å; Q18-I74 HydrophobicContact CG-CD1 3.94Å; A21-I74 HydrophobicContact CB-CD1 4.19Å; A21-I74 HydrophobicContact CB-CG2 4.03Å; I74-F76 HydrophobicContact CD1-CD1 3.88Å; I74-F76 HydrophobicContact CD1-CE1 4.27Å; I74-F76 HydrophobicContact CG1-CD1 3.87Å; I74-F76 HydrophobicContact CG2-CD1 4.34Å; I74-F76 HydrophobicContact CG2-CE1 4.25Å; I74-L85 HydrophobicContact CG2-CB 3.86Å; I74-L85 HydrophobicContact CG2-CD2 4.25Å; I74-L85 HydrophobicContact CG2-CG 4.42Å; I74-L85 PolarHBondContact N-O 2.97Å; I74-L85 PolarHBondContact O-N 2.75Å
75Y98.8Very high97.7Very high49 Ų4955.7 Ų55.719%0.19228%0.279CS..EExtended strand (participates in β ladder)trans-129.9120.3171.7176.3-122.3000109.9K9 N10 F62 Y77 A82 I83 L84K9-Y75 HydrophobicContact CB-CD1 3.5Å; K9-Y75 HydrophobicContact CB-CE1 3.78Å; K9-Y75 HydrophobicContact CB-CG 4.44Å; K9-Y75 HydrophobicContact CG-CD1 4.18Å; K9-Y75 HydrophobicContact CG-CE1 4.01Å; K9-Y75 PolarHBondContact N-O 2.94Å; N10-Y75 PolarHBondContact N-O 2.88Å; N10-Y75 VanDerWaalsContact N-O 3.11Å; N10-Y75 PolarHBondContact O-N 3.23Å; F62-Y75 HydrophobicContact CE2-CE2 4.35Å; F62-Y75 AromaticContact CZ-CE2 3.96Å; F62-Y75 HydrophobicContact CZ-CE2 3.96Å; Y75-Y77 HydrophobicContact CE1-CE2 4.24Å; Y75-Y77 AromaticContact CZ-CE2 3.81Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.28Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.39Å; Y75-Y77 PolarHBondContact OH-OH 3.14Å; Y75-A82 HydrophobicContact CE2-CB 3.83Å; Y75-I83 WeakPolarHBondContact CA-O 3.15Å; Y75-I83 WeakPolarHBondContact CD2-O 3.3Å; Y75-L84 HydrophobicContact CD2-CB 3.99Å
76F98.6Very high97.8Very high1 Ų145.5 Ų45.50%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-149.7163.2-175.367.5-77.3000112.1V7 I8 A21 V22 A25 I74 L78 A82 I83V7-F76 CarbonylContact O-C 3.56Å; V7-F76 VanDerWaalsContact O-CA 3.3Å; V7-F76 WeakPolarHBondContact O-CA 3.3Å; V7-F76 WeakPolarHBondContact O-CB 3.33Å; I8-F76 HydrophobicContact CB-CB 4.41Å; I8-F76 HydrophobicContact CG1-CB 4.16Å; A21-F76 HydrophobicContact CB-CE1 4.35Å; V22-F76 HydrophobicContact CG2-CD2 4.08Å; V22-F76 HydrophobicContact CG2-CE2 3.93Å; V22-F76 HydrophobicContact CG2-CZ 4.38Å; A25-F76 HydrophobicContact CB-CE2 4.02Å; A25-F76 HydrophobicContact CB-CZ 3.67Å; I74-F76 HydrophobicContact CD1-CD1 3.88Å; I74-F76 HydrophobicContact CD1-CE1 4.27Å; I74-F76 HydrophobicContact CG1-CD1 3.87Å; I74-F76 HydrophobicContact CG2-CD1 4.34Å; I74-F76 HydrophobicContact CG2-CE1 4.25Å; F76-L78 HydrophobicContact CD2-CG 4.09Å; F76-L78 HydrophobicContact CE2-CD1 3.75Å; F76-L78 HydrophobicContact CE2-CG 3.76Å; F76-A82 WeakPolarHBondContact O-CA 3.07Å; F76-I83 HydrophobicContact CD1-CB 4.2Å; F76-I83 HydrophobicContact CD2-CD1 4.28Å; F76-I83 HydrophobicContact CE1-CB 3.79Å; F76-I83 HydrophobicContact CE1-CG2 3.74Å; F76-I83 HydrophobicContact CE2-CB 4.3Å; F76-I83 HydrophobicContact CE2-CD1 3.9Å; F76-I83 HydrophobicContact CE2-CG1 4.48Å; F76-I83 HydrophobicContact CZ-CB 3.86Å; F76-I83 HydrophobicContact CZ-CD1 4.23Å; F76-I83 HydrophobicContact CZ-CG1 4.32Å; F76-I83 HydrophobicContact CZ-CG2 3.93Å; F76-I83 PolarHBondContact N-O 3.01Å; F76-I83 PolarHBondContact O-N 2.78Å
77Y98.1Very high97.8Very high68 Ų6844.2 Ų44.227%0.26723%0.229SC..EExtended strand (participates in β ladder)trans-108138.7172.3-80.2-99.8000110.5A6 V7 K9 Y75 V81 A82A6-Y77 CarbonylContact C-O 3.48Å; A6-Y77 WeakPolarHBondContact CA-O 3.47Å; V7-Y77 PolarHBondContact N-O 2.85Å; V7-Y77 PolarHBondContact O-N 3.45Å; K9-Y77 HydrophobicContact CD-CD2 4.48Å; K9-Y77 HydrophobicContact CG-CD2 3.8Å; K9-Y77 HydrophobicContact CG-CE2 4.07Å; Y75-Y77 HydrophobicContact CE1-CE2 4.24Å; Y75-Y77 AromaticContact CZ-CE2 3.81Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.28Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.39Å; Y75-Y77 PolarHBondContact OH-OH 3.14Å; Y77-V81 WeakPolarHBondContact CA-O 3.47Å; Y77-A82 HydrophobicContact CD1-CB 4.03Å; Y77-A82 HydrophobicContact CD2-CB 4.41Å; Y77-A82 HydrophobicContact CE1-CB 3.64Å; Y77-A82 HydrophobicContact CE2-CB 4.06Å; Y77-A82 HydrophobicContact CG-CB 4.41Å
78L96.3Very high97.8Very high2 Ų240.9 Ų40.91%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-115.3102.3161.3-77.5171000108.6R4 A6 V22 A25 M29 F76 Q80 V81 I83R4-L78 WeakPolarHBondContact O-CD2 3.23Å; A6-L78 HydrophobicContact CB-CD2 3.71Å; V22-L78 HydrophobicContact CG1-CD2 4.44Å; A25-L78 HydrophobicContact CB-CD1 3.58Å; M29-L78 HydrophobicContact CE-CB 3.47Å; M29-L78 VanDerWaalsContact CE-CB 3.47Å; M29-L78 HydrophobicContact CE-CD1 3.83Å; M29-L78 HydrophobicContact CE-CG 4.23Å; M29-L78 HydrophobicContact SD-CB 4.28Å; F76-L78 HydrophobicContact CD2-CG 4.09Å; F76-L78 HydrophobicContact CE2-CD1 3.75Å; F76-L78 HydrophobicContact CE2-CG 3.76Å; L78-Q80 PolarHBondContact O-N 3.31Å; L78-V81 PolarHBondContact N-O 2.81Å; L78-V81 PolarHBondContact O-N 2.78Å; L78-I83 HydrophobicContact CB-CD1 3.98Å; L78-I83 HydrophobicContact CD1-CD1 4.07Å; L78-I83 HydrophobicContact CG-CD1 4.12Å
79G93.4Very high97.5Very high49 Ų4943.3 Ų43.351%0.50525%0.254SS..THydrogen-bonded Turntrans63.6-120.8-16900000111.3
80Q93.6Very high97.4Very high142 Ų14242.4 Ų42.466%0.66425%0.252SS*.THydrogen-bonded Turntrans-96.21.4-179.3-63.2-178.2-0.900113.8R60 L78R60-Q80 VanDerWaalsContact NH1-OE1 3.14Å; L78-Q80 PolarHBondContact O-N 3.31Å
81V96.5Very high97.4Very high20 Ų2038.9 Ų38.912%0.12123%0.231CC..EExtended strand (participates in β ladder)trans-104.5125.7-177.1-177.90000108.5M29 V58 R60 Y77 L78M29-V81 HydrophobicContact SD-CB 4.48Å; V58-V81 HydrophobicContact CG1-CG1 3.44Å; V58-V81 VanDerWaalsContact CG1-CG1 3.44Å; R60-V81 HydrophobicContact CG-CG2 4.3Å; Y77-V81 WeakPolarHBondContact CA-O 3.47Å; L78-V81 PolarHBondContact N-O 2.81Å; L78-V81 PolarHBondContact O-N 2.78Å
82A98.3Very high97.4Very high1 Ų133.4 Ų33.41%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-85.8140.717100000110.5V58 G59 F62 Y75 F76 Y77V58-A82 WeakPolarHBondContact CA-O 3.38Å; G59-A82 PolarHBondContact N-O 3.31Å; G59-A82 WeakPolarHBondContact O-CB 3.48Å; G59-A82 PolarHBondContact O-N 3.05Å; F62-A82 HydrophobicContact CD1-CB 4.49Å; F62-A82 HydrophobicContact CE1-CB 3.5Å; F62-A82 HydrophobicContact CZ-CB 3.87Å; Y75-A82 HydrophobicContact CE2-CB 3.83Å; F76-A82 WeakPolarHBondContact O-CA 3.07Å; Y77-A82 HydrophobicContact CD1-CB 4.03Å; Y77-A82 HydrophobicContact CD2-CB 4.41Å; Y77-A82 HydrophobicContact CE1-CB 3.64Å; Y77-A82 HydrophobicContact CE2-CB 4.06Å; Y77-A82 HydrophobicContact CG-CB 4.41Å
83I98.8Very high97.3Very high1 Ų132.6 Ų32.61%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-123.8123.6173.8-57.695.7000107.7A25 I42 I57 V58 Y75 F76 L78A25-I83 HydrophobicContact CB-CG1 4.46Å; I42-I83 HydrophobicContact CD1-CG2 4.12Å; I57-I83 WeakPolarHBondContact O-CA 3.46Å; V58-I83 HydrophobicContact CG2-CG1 4.16Å; V58-I83 HydrophobicContact CG2-CG2 4.31Å; Y75-I83 WeakPolarHBondContact CA-O 3.15Å; Y75-I83 WeakPolarHBondContact CD2-O 3.3Å; F76-I83 HydrophobicContact CD1-CB 4.2Å; F76-I83 HydrophobicContact CD2-CD1 4.28Å; F76-I83 HydrophobicContact CE1-CB 3.79Å; F76-I83 HydrophobicContact CE1-CG2 3.74Å; F76-I83 HydrophobicContact CE2-CB 4.3Å; F76-I83 HydrophobicContact CE2-CD1 3.9Å; F76-I83 HydrophobicContact CE2-CG1 4.48Å; F76-I83 HydrophobicContact CZ-CB 3.86Å; F76-I83 HydrophobicContact CZ-CD1 4.23Å; F76-I83 HydrophobicContact CZ-CG1 4.32Å; F76-I83 HydrophobicContact CZ-CG2 3.93Å; F76-I83 PolarHBondContact N-O 3.01Å; F76-I83 PolarHBondContact O-N 2.78Å; L78-I83 HydrophobicContact CB-CD1 3.98Å; L78-I83 HydrophobicContact CD1-CD1 4.07Å; L78-I83 HydrophobicContact CG-CD1 4.12Å
84L98.9Very high97.2Very high1 Ų133.3 Ų33.31%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-113.5123.3169.7167.961.2000107.9C56 I57 F62 S64 F73 Y75 F86C56-L84 CarbonylContact C-O 3.58Å; C56-L84 VanDerWaalsContact CA-O 3.31Å; C56-L84 WeakPolarHBondContact CA-O 3.49Å; I57-L84 HydrophobicContact CB-CB 4.27Å; I57-L84 HydrophobicContact CD1-CD2 3.89Å; I57-L84 PolarHBondContact N-O 2.83Å; I57-L84 PolarHBondContact O-N 3.17Å; F62-L84 HydrophobicContact CE2-CB 4.12Å; F62-L84 HydrophobicContact CE2-CD2 4.32Å; F62-L84 HydrophobicContact CZ-CB 4.09Å; S64-L84 VanDerWaalsContact OG-CD2 3.22Å; S64-L84 WeakPolarHBondContact OG-CD2 3.04Å; F73-L84 HydrophobicContact CD2-CD1 4.21Å; F73-L84 HydrophobicContact CE2-CD1 3.44Å; F73-L84 VanDerWaalsContact CE2-CD1 3.44Å; F73-L84 HydrophobicContact CZ-CD1 3.67Å; Y75-L84 HydrophobicContact CD2-CB 3.99Å; L84-F86 HydrophobicContact CD1-CD1 4.18Å; L84-F86 HydrophobicContact CD2-CD1 4.43Å; L84-F86 HydrophobicContact CD2-CE1 4.4Å; L84-F86 HydrophobicContact CG-CD1 4.01Å; L84-F86 HydrophobicContact CG-CE1 4.37Å
85L98.9Very high97.1Very high0 Ų035.5 Ų35.50%023%0.231CC..EExtended strand (participates in β ladder)trans-132.4125.1-179.1176.366.6000108.8A21 I42 F46 W54 H55 C56 I74A21-L85 HydrophobicContact CB-CD2 4.1Å; I42-L85 HydrophobicContact CG2-CD1 4.02Å; I42-L85 HydrophobicContact CG2-CD2 3.83Å; I42-L85 HydrophobicContact CG2-CG 4.47Å; F46-L85 HydrophobicContact CD1-CD2 3.66Å; F46-L85 HydrophobicContact CD1-CG 4.44Å; F46-L85 HydrophobicContact CD2-CD2 3.85Å; F46-L85 HydrophobicContact CE1-CD2 3.62Å; F46-L85 HydrophobicContact CE2-CD2 3.81Å; F46-L85 HydrophobicContact CG-CD1 4.45Å; F46-L85 HydrophobicContact CG-CD2 3.8Å; F46-L85 HydrophobicContact CZ-CD2 3.71Å; W54-L85 HydrophobicContact CB-CD1 4.45Å; W54-L85 HydrophobicContact CE3-CD1 3.74Å; W54-L85 HydrophobicContact CE3-CD2 4.4Å; W54-L85 HydrophobicContact CE3-CG 3.74Å; W54-L85 HydrophobicContact CZ3-CD1 4.43Å; W54-L85 HydrophobicContact CZ3-CD2 4.37Å; W54-L85 HydrophobicContact CZ3-CG 3.93Å; H55-L85 WeakPolarHBondContact O-CA 3.14Å; H55-L85 WeakPolarHBondContact O-CD1 3.31Å; C56-L85 HydrophobicContact CB-CD1 3.96Å; I74-L85 HydrophobicContact CG2-CB 3.86Å; I74-L85 HydrophobicContact CG2-CD2 4.25Å; I74-L85 HydrophobicContact CG2-CG 4.42Å; I74-L85 PolarHBondContact N-O 2.97Å; I74-L85 PolarHBondContact O-N 2.75Å
86F98.8Very high97Very high16 Ų1634.6 Ų34.67%0.0723%0.234CC..EExtended strand (participates in β ladder)trans-151.7155.9-17967.4-82000112.2W54 H55 I57 V66 H68 H72 F73 L84W54-F86 CarbonylContact C-O 2.86Å; W54-F86 WeakPolarHBondContact CA-O 3.44Å; H55-F86 HydrophobicContact CB-CD1 4.13Å; H55-F86 HydrophobicContact CB-CD2 4.34Å; H55-F86 HydrophobicContact CB-CE1 3.65Å; H55-F86 HydrophobicContact CB-CE2 3.88Å; H55-F86 HydrophobicContact CB-CG 4.45Å; H55-F86 HydrophobicContact CB-CZ 3.51Å; H55-F86 AromaticContact CD2-CE2 3.8Å; H55-F86 AromaticContact CG-CE2 3.99Å; H55-F86 AromaticContact CG-CZ 3.96Å; H55-F86 PolarHBondContact N-O 2.63Å; H55-F86 PolarHBondContact O-N 2.79Å; I57-F86 HydrophobicContact CD1-CE1 4.48Å; V66-F86 HydrophobicContact CB-CE1 4.28Å; V66-F86 HydrophobicContact CB-CE2 4.07Å; V66-F86 HydrophobicContact CB-CZ 3.9Å; V66-F86 HydrophobicContact CG1-CE1 4.05Å; V66-F86 HydrophobicContact CG1-CE2 4.45Å; V66-F86 HydrophobicContact CG1-CZ 3.79Å; V66-F86 HydrophobicContact CG2-CD1 4.19Å; V66-F86 HydrophobicContact CG2-CD2 4.38Å; V66-F86 HydrophobicContact CG2-CE1 4.1Å; V66-F86 HydrophobicContact CG2-CE2 4.3Å; V66-F86 HydrophobicContact CG2-CG 4.33Å; V66-F86 HydrophobicContact CG2-CZ 4.16Å; H68-F86 HydrophobicContact CB-CB 3.93Å; H68-F86 HydrophobicContact CB-CD2 3.94Å; H68-F86 HydrophobicContact CB-CG 4.33Å; H72-F86 CarbonylContact O-C 3.57Å; H72-F86 WeakPolarHBondContact O-CA 3.43Å; F73-F86 HydrophobicContact CB-CB 4.37Å; F73-F86 HydrophobicContact CD2-CB 3.7Å; F73-F86 HydrophobicContact CE2-CB 4.5Å; F73-F86 HydrophobicContact CG-CB 4.44Å; L84-F86 HydrophobicContact CD1-CD1 4.18Å; L84-F86 HydrophobicContact CD2-CD1 4.43Å; L84-F86 HydrophobicContact CD2-CE1 4.4Å; L84-F86 HydrophobicContact CG-CD1 4.01Å; L84-F86 HydrophobicContact CG-CE1 4.37Å
87K98.8Very high96.9Very high19 Ų1937.2 Ų37.28%0.08325%0.252CS..EExtended strand (participates in β ladder)trans-101.2136.2174.9-164.3-172.3168.8110.60110.7Y50 N51 P52 T53 W54 H68 E69 H72Y50-K87 PolarHBondContact O-NZ 3.39Å; N51-K87 PolarHBondContact O-NZ 3.39Å; P52-K87 WeakPolarHBondContact O-CE 3.41Å; P52-K87 PolarHBondContact O-NZ 3.02Å; T53-K87 WeakPolarHBondContact O-CA 3.32Å; T53-K87 WeakPolarHBondContact O-CG 3.23Å; W54-K87 HydrophobicContact CD2-CB 4.07Å; W54-K87 HydrophobicContact CD2-CG 4.42Å; W54-K87 HydrophobicContact CE3-CB 4.15Å; W54-K87 HydrophobicContact CH2-CB 4.48Å; W54-K87 HydrophobicContact CZ2-CB 4.39Å; W54-K87 HydrophobicContact CZ3-CB 4.36Å; H68-K87 CarbonylContact C-O 3.58Å; H68-K87 VanDerWaalsContact CA-O 3.3Å; H68-K87 WeakPolarHBondContact CA-O 3.32Å; H68-K87 WeakPolarHBondContact CB-O 3.38Å; E69-K87 PolarHBondContact N-O 3.41Å; E69-K87 WeakPolarHBondContact OE1-CG 3.43Å; E69-K87 VanDerWaalsContact OE2-CD 3.23Å; E69-K87 WeakPolarHBondContact OE2-CD 3.3Å; E69-K87 WeakPolarHBondContact OE2-CE 3.43Å; H72-K87 HydrophobicContact CB-CB 3.43Å; H72-K87 VanDerWaalsContact CB-CB 3.43Å; H72-K87 HydrophobicContact CB-CD 4.19Å; H72-K87 HydrophobicContact CB-CG 4.47Å; H72-K87 PolarHBondContact O-N 2.85Å
88S97.5Very high96.8Very high47 Ų4734.6 Ų34.633%0.32925%0.251SS..  trans-160118.3173.9179.10000109.1T53 H55T53-S88 PolarHBondContact O-N 3.15Å; H55-S88 PolarHBondContact NE2-O 2.81Å
89G91.3Very high96.8Very high117 Ų11737.5 Ų37.5100%1.20627%0.272SS*.  trans178.20173.100000113.4E69E69-G89 PolarHBondContact OE1-N 2.97Å; E69-G89 VanDerWaalsContact OE1-N 3.14Å

Retrieved 89 of 89 residues in 62.5 ms (Link to these results)

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