A0A3Q2P7M6_FUNHE Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A3Q2P7M6, Species FUNHE (Fundulus heteroclitus, Killifish), Gene n/a, 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
1M49.5Very low83.5Confident214 Ų214112.4 Ų112.4100%1.05458%0.58SS**  0121.10-73.1161.2174.100105.9D3M1-D3 PolarHBondContact O-N 2.9Å; M1-D3 VanDerWaalsContact O-N 3.15Å
2S55Low84.8Confident113 Ų113108.1 Ų108.179%0.7956%0.559SS**  trans-70.8110.7178.6-40.60000107.3R4S2-R4 PolarHBondContact O-N 2.82Å
3D60.5Low85.8Confident161 Ų161101.1 Ų101.186%0.86152%0.522SS*.  trans-55.897.6176-72.9-50.8000109.3M1 K5M1-D3 PolarHBondContact O-N 2.9Å; M1-D3 VanDerWaalsContact O-N 3.15Å; D3-K5 PolarHBondContact O-N 3.15Å
4R80.1Confident86.7Confident133 Ų13398.4 Ų98.450%0.50252%0.517SS..  trans-76.585.1173.8-67-176.5-171.2166.65.7106.6S2 L78S2-R4 PolarHBondContact O-N 2.82Å; R4-L78 HydrophobicContact CB-CD2 4.46Å; R4-L78 VanDerWaalsContact O-CD2 3.27Å; R4-L78 WeakPolarHBondContact O-CD2 3.47Å
5K88.8Confident87.5Confident170 Ų170102.5 Ų102.574%0.73953%0.532SS*.  trans-56.9124.9178.2-172.4175-179.4176.10109.4D3D3-K5 PolarHBondContact O-N 3.15Å
6P95.4Very high88.1Confident50 Ų50104.1 Ų104.133%0.32554%0.542SS..EExtended strand (participates in β ladder)trans-64.6138.3175.328.6-37.1000110.4V22 Y77 L78P6-V22 HydrophobicContact CB-CB 4.49Å; P6-V22 HydrophobicContact CB-CG1 3.76Å; P6-V22 HydrophobicContact CB-CG2 3.82Å; P6-V22 HydrophobicContact CG-CG1 3.82Å; P6-V22 HydrophobicContact CG-CG2 4.4Å; P6-Y77 WeakPolarHBondContact CA-O 3.28Å; P6-L78 HydrophobicContact CB-CD2 3.89Å
7V97.6Very high88.7Confident67 Ų6799.1 Ų99.141%0.40652%0.515SS..EExtended strand (participates in β ladder)trans-121.197.3171.3-178.20000108.1K9 F76 Y77V7-K9 HydrophobicContact CG1-CD 4.26Å; V7-K9 PolarHBondContact O-N 2.9Å; V7-F76 CarbonylContact O-C 3.55Å; V7-F76 VanDerWaalsContact O-CA 3.28Å; V7-F76 WeakPolarHBondContact O-CA 3.36Å; V7-F76 WeakPolarHBondContact O-CB 3.28Å; V7-Y77 PolarHBondContact N-O 3.31Å; V7-Y77 PolarHBondContact O-N 2.87Å
8I98.1Very high89.3Confident76 Ų7695.7 Ų95.739%0.3950%0.497SS..EExtended strand (participates in β ladder)trans-71.9124.8176.3-55.3179000108.4A11 Q18 I74 F76I8-A11 HydrophobicContact CG2-CB 4.04Å; I8-Q18 HydrophobicContact CD1-CB 4.37Å; I8-Q18 VanDerWaalsContact CD1-OE1 3.31Å; I8-I74 HydrophobicContact CG2-CG1 4.47Å; I8-F76 HydrophobicContact CB-CB 4.43Å; I8-F76 HydrophobicContact CG1-CB 4.18Å
9K98Very high89.8Confident125 Ų12595.8 Ų95.854%0.54350%0.495SS..EExtended strand (participates in β ladder)trans-98.8-39179.9-66.2-60-174.9-178.20111.5V7 Y75 Y77V7-K9 HydrophobicContact CG1-CD 4.26Å; V7-K9 PolarHBondContact O-N 2.9Å; K9-Y75 HydrophobicContact CB-CD1 3.5Å; K9-Y75 HydrophobicContact CB-CE1 3.8Å; K9-Y75 HydrophobicContact CB-CG 4.39Å; K9-Y75 HydrophobicContact CG-CD1 4.16Å; K9-Y75 HydrophobicContact CG-CE1 4Å; K9-Y75 PolarHBondContact N-O 2.86Å; K9-Y77 HydrophobicContact CG-CD2 3.84Å; K9-Y77 HydrophobicContact CG-CE2 4.09Å
10N97.9Very high90.2Very high96 Ų9693.2 Ų93.251%0.51348%0.481SS..EExtended strand (participates in β ladder)trans-155.5145.5174.4-166.67.9000109.5F73 Y75N10-F73 HydrophobicContact CB-CE1 4.17Å; N10-Y75 PolarHBondContact N-O 3.15Å; N10-Y75 VanDerWaalsContact N-O 3.13Å; N10-Y75 PolarHBondContact O-N 2.8Å
11A98.1Very high90.6Very high31 Ų3188.7 Ų88.726%0.25646%0.458SS..EExtended strand (participates in β ladder)trans-153137.1176.700000110.3I8 Q18 F73 I74I8-A11 HydrophobicContact CG2-CB 4.04Å; A11-Q18 HydrophobicContact CB-CG 4.23Å; A11-F73 CarbonylContact C-O 3.49Å; A11-F73 WeakPolarHBondContact CA-O 3.47Å; A11-I74 HydrophobicContact CB-CB 4.48Å; A11-I74 HydrophobicContact CB-CG1 4.04Å
12D98.4Very high92.9Very high61 Ų6179 Ų7933%0.32641%0.411SS..EExtended strand (participates in β ladder)trans-127.184162.9175.728.8000106.8K71 H72 F73D12-K71 CarbonylContact O-C 3.58Å; D12-K71 WeakPolarHBondContact O-CA 3.42Å; D12-K71 PolarHBondContact OD2-N 3.06Å; D12-H72 PolarHBondContact O-N 3.31Å; D12-F73 CarbonylContact C-O 3.55Å; D12-F73 HydrophobicContact CB-CB 4.41Å; D12-F73 PolarHBondContact N-O 3.31Å; D12-F73 PolarHBondContact O-N 2.93Å
13M98.2Very high95Very high17 Ų1777.7 Ų77.78%0.08439%0.392CS..SBendtrans-172.3168.4175.853168.853.600110M17 Q18 W54 K71 I74M13-M17 HydrophobicContact CB-CB 4.4Å; M13-M17 HydrophobicContact CB-SD 3.98Å; M13-M17 HydrophobicContact CE-CG 4Å; M13-M17 HydrophobicContact CE-SD 3.63Å; M13-M17 HydrophobicContact SD-CB 4.02Å; M13-M17 HydrophobicContact SD-CG 3.75Å; M13-M17 HydrophobicContact SD-SD 4.05Å; M13-Q18 HydrophobicContact CG-CG 3.56Å; M13-Q18 PolarHBondContact O-NE2 3.36Å; M13-Q18 HydrophobicContact SD-CB 4.49Å; M13-Q18 HydrophobicContact SD-CG 3.81Å; M13-W54 HydrophobicContact CE-CH2 3.92Å; M13-W54 HydrophobicContact CE-CZ3 4.02Å; M13-K71 WeakPolarHBondContact CA-O 3.27Å; M13-K71 VanDerWaalsContact CB-O 3.26Å; M13-K71 WeakPolarHBondContact CB-O 3.39Å; M13-I74 HydrophobicContact CE-CB 4.02Å; M13-I74 HydrophobicContact CE-CG2 3.89Å; M13-I74 HydrophobicContact CG-CB 4.44Å; M13-I74 HydrophobicContact SD-CB 3.77Å; M13-I74 HydrophobicContact SD-CD1 4.31Å; M13-I74 HydrophobicContact SD-CG2 3.94Å
14S98.3Very high96.8Very high64 Ų6470.6 Ų70.645%0.44836%0.355SS..  trans-66.6153.1177.961.70000112.7D16 M17 Q18S14-D16 VanDerWaalsContact C-N 3.29Å; S14-D16 PolarHBondContact O-N 3.13Å; S14-M17 PolarHBondContact O-N 2.84Å; S14-M17 WeakPolarHBondContact OG-CB 3.43Å; S14-M17 PolarHBondContact OG-N 2.8Å; S14-Q18 WeakPolarHBondContact O-CG 3.45Å; S14-Q18 PolarHBondContact O-N 3.34Å
15E98Very high97.7Very high160 Ų16064.3 Ų64.375%0.74833%0.331SS*.Hα-helixtrans-57.4-41178.1-65.8-175.617000112.3M17 Q18 Q19E15-M17 VanDerWaalsContact C-N 3.3Å; E15-M17 PolarHBondContact O-N 3.37Å; E15-Q18 WeakPolarHBondContact O-CB 3.46Å; E15-Q18 PolarHBondContact O-N 3.14Å; E15-Q18 VanDerWaalsContact O-N 3.14Å; E15-Q19 PolarHBondContact O-N 2.9Å
16D98.3Very high98.1Very high127 Ų12758.5 Ų58.568%0.67931%0.311SS*.Hα-helixtrans-57.9-43.2175-63.7-21.1000111.7S14 Q19 D20S14-D16 VanDerWaalsContact C-N 3.29Å; S14-D16 PolarHBondContact O-N 3.13Å; D16-Q19 PolarHBondContact O-N 3.21Å; D16-D20 WeakPolarHBondContact O-CB 3.36Å; D16-D20 PolarHBondContact O-N 2.82Å
17M98.6Very high98.2Very high20 Ų2060.9 Ų60.910%0.09932%0.317CS..Hα-helixtrans-70.8-33178.6-168.4-178.6-64.700111.9M13 S14 E15 D20 A21 F46 Y50 W54M13-M17 HydrophobicContact CB-CB 4.4Å; M13-M17 HydrophobicContact CB-SD 3.98Å; M13-M17 HydrophobicContact CE-CG 4Å; M13-M17 HydrophobicContact CE-SD 3.63Å; M13-M17 HydrophobicContact SD-CB 4.02Å; M13-M17 HydrophobicContact SD-CG 3.75Å; M13-M17 HydrophobicContact SD-SD 4.05Å; S14-M17 PolarHBondContact O-N 2.84Å; S14-M17 WeakPolarHBondContact OG-CB 3.43Å; S14-M17 PolarHBondContact OG-N 2.8Å; E15-M17 VanDerWaalsContact C-N 3.3Å; E15-M17 PolarHBondContact O-N 3.37Å; M17-D20 PolarHBondContact O-N 2.98Å; M17-A21 WeakPolarHBondContact O-CB 3.46Å; M17-A21 PolarHBondContact O-N 3.45Å; M17-F46 HydrophobicContact CG-CE1 4.01Å; M17-Y50 HydrophobicContact CE-CD1 3.67Å; M17-Y50 HydrophobicContact CE-CE1 3.83Å; M17-Y50 HydrophobicContact CE-CG 4.19Å; M17-Y50 HydrophobicContact CG-CE1 4.26Å; M17-Y50 HydrophobicContact CG-CE2 4.26Å; M17-W54 HydrophobicContact SD-CH2 3.75Å; M17-W54 HydrophobicContact SD-CZ2 4.17Å
18Q98.6Very high98.2Very high38 Ų3857.7 Ų57.718%0.17830%0.298CS..Hα-helixtrans-64.7-44.3173.1-63.5177.839.400111I8 A11 M13 S14 E15 A21 V22 I74I8-Q18 HydrophobicContact CD1-CB 4.37Å; I8-Q18 VanDerWaalsContact CD1-OE1 3.31Å; A11-Q18 HydrophobicContact CB-CG 4.23Å; M13-Q18 HydrophobicContact CG-CG 3.56Å; M13-Q18 PolarHBondContact O-NE2 3.36Å; M13-Q18 HydrophobicContact SD-CB 4.49Å; M13-Q18 HydrophobicContact SD-CG 3.81Å; S14-Q18 WeakPolarHBondContact O-CG 3.45Å; S14-Q18 PolarHBondContact O-N 3.34Å; E15-Q18 WeakPolarHBondContact O-CB 3.46Å; E15-Q18 PolarHBondContact O-N 3.14Å; E15-Q18 VanDerWaalsContact O-N 3.14Å; Q18-A21 WeakPolarHBondContact O-CB 3.22Å; Q18-A21 PolarHBondContact O-N 3.5Å; Q18-V22 WeakPolarHBondContact O-CG2 3.48Å; Q18-V22 PolarHBondContact O-N 2.95Å; Q18-I74 HydrophobicContact CB-CD1 3.9Å; Q18-I74 HydrophobicContact CG-CD1 3.92Å
19Q98.2Very high98.1Very high98 Ų9855 Ų5546%0.45828%0.284SS..Hα-helixtrans-61.9-46176.9-175.658.733.500110.8E15 D16 A21 V22 E23E15-Q19 PolarHBondContact O-N 2.9Å; D16-Q19 PolarHBondContact O-N 3.21Å; Q19-A21 VanDerWaalsContact C-N 3.29Å; Q19-A21 PolarHBondContact O-N 3Å; Q19-V22 PolarHBondContact O-N 3.42Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.43Å; Q19-E23 PolarHBondContact NE2-OE1 3.05Å; Q19-E23 WeakPolarHBondContact O-CG 3.41Å; Q19-E23 PolarHBondContact O-N 3.34Å
20D98.5Very high98Very high42 Ų4255.6 Ų55.623%0.22529%0.289CS..Hα-helixtrans-58.4-38.5174.2-78.6-49000112.5D16 M17 C24 F46 K49 Y50D16-D20 WeakPolarHBondContact O-CB 3.36Å; D16-D20 PolarHBondContact O-N 2.82Å; M17-D20 PolarHBondContact O-N 2.98Å; D20-C24 WeakPolarHBondContact O-CB 3.49Å; D20-C24 PolarHBondContact O-N 3.04Å; D20-F46 HydrophobicContact CB-CZ 4.46Å; D20-K49 IonicContact OD1-NZ 2.77Å; D20-K49 PolarHBondContact OD1-NZ 3.46Å; D20-K49 IonicContact OD2-NZ 2.72Å; D20-K49 PolarHBondContact OD2-NZ 3.36Å; D20-Y50 VanDerWaalsContact CB-OH 3.25Å; D20-Y50 WeakPolarHBondContact CB-OH 3.48Å; D20-Y50 PolarHBondContact OD2-OH 3.4Å
21A98.7Very high97.9Very high0 Ų057.4 Ų57.40%029%0.292CS..Hα-helixtrans-66.2-43.4176.700000112M17 Q18 Q19 A25 F46 I74 F76 L85M17-A21 WeakPolarHBondContact O-CB 3.46Å; M17-A21 PolarHBondContact O-N 3.45Å; Q18-A21 WeakPolarHBondContact O-CB 3.22Å; Q18-A21 PolarHBondContact O-N 3.5Å; Q19-A21 VanDerWaalsContact C-N 3.29Å; Q19-A21 PolarHBondContact O-N 3Å; A21-A25 VanDerWaalsContact O-CB 3.28Å; A21-A25 WeakPolarHBondContact O-CB 3.4Å; A21-A25 PolarHBondContact O-N 2.9Å; A21-F46 VanDerWaalsContact CA-CZ 3.44Å; A21-F46 HydrophobicContact CB-CE1 4.35Å; A21-F46 HydrophobicContact CB-CE2 4.19Å; A21-F46 HydrophobicContact CB-CZ 3.57Å; A21-I74 HydrophobicContact CB-CD1 4.2Å; A21-I74 HydrophobicContact CB-CG2 4.05Å; A21-F76 HydrophobicContact CB-CE1 4.34Å; A21-L85 HydrophobicContact CB-CD2 4.09Å
22V98.3Very high97.9Very high10 Ų1059.1 Ų59.16%0.06129%0.293CS..Hα-helixtrans-64.4-46177.3167.10000111.1P6 Q18 Q19 A25 T26 F76P6-V22 HydrophobicContact CB-CB 4.49Å; P6-V22 HydrophobicContact CB-CG1 3.76Å; P6-V22 HydrophobicContact CB-CG2 3.82Å; P6-V22 HydrophobicContact CG-CG1 3.82Å; P6-V22 HydrophobicContact CG-CG2 4.4Å; Q18-V22 WeakPolarHBondContact O-CG2 3.48Å; Q18-V22 PolarHBondContact O-N 2.95Å; Q19-V22 PolarHBondContact O-N 3.42Å; V22-A25 PolarHBondContact O-N 2.73Å; V22-T26 WeakPolarHBondContact O-CB 3.47Å; V22-T26 PolarHBondContact O-N 2.87Å; V22-T26 PolarHBondContact O-OG1 3.2Å; V22-F76 HydrophobicContact CG2-CD2 4.13Å; V22-F76 HydrophobicContact CG2-CE2 3.97Å; V22-F76 HydrophobicContact CG2-CZ 4.38Å
23E98.1Very high97.7Very high86 Ų8663.9 Ų63.940%0.40232%0.318SS..Hα-helixtrans-64.6-46.1178.9-73.2178.2-168.100111.4Q19 A25 T26 Q27Q19-E23 WeakPolarHBondContact CG-OE1 3.43Å; Q19-E23 PolarHBondContact NE2-OE1 3.05Å; Q19-E23 WeakPolarHBondContact O-CG 3.41Å; Q19-E23 PolarHBondContact O-N 3.34Å; E23-A25 VanDerWaalsContact C-N 3.34Å; E23-A25 PolarHBondContact O-N 2.86Å; E23-T26 WeakPolarHBondContact O-CB 3.46Å; E23-T26 PolarHBondContact O-N 3.5Å; E23-Q27 WeakPolarHBondContact O-CG 3.39Å; E23-Q27 PolarHBondContact O-N 3.43Å
24C98.5Very high97.6Very high12 Ų1267.6 Ų67.68%0.08134%0.337CS..Hα-helixtrans-59.6-44.7176.5-173.80000111.5D20 T26 Q27 A28 F46D20-C24 WeakPolarHBondContact O-CB 3.49Å; D20-C24 PolarHBondContact O-N 3.04Å; C24-T26 PolarHBondContact O-N 3.38Å; C24-Q27 PolarHBondContact O-N 3.1Å; C24-A28 WeakPolarHBondContact O-CB 3.41Å; C24-A28 PolarHBondContact O-N 2.95Å; C24-F46 HydrophobicContact CB-CE2 4.06Å
25A98.3Very high97.6Very high0 Ų068.4 Ų68.40%033%0.334CS..Hα-helixtrans-67.3-34.817700000112.9A21 V22 E23 A28 L29 I42 F76 L78 I83A21-A25 VanDerWaalsContact O-CB 3.28Å; A21-A25 WeakPolarHBondContact O-CB 3.4Å; A21-A25 PolarHBondContact O-N 2.9Å; V22-A25 PolarHBondContact O-N 2.73Å; E23-A25 VanDerWaalsContact C-N 3.34Å; E23-A25 PolarHBondContact O-N 2.86Å; A25-A28 PolarHBondContact O-N 3.45Å; A25-L29 WeakPolarHBondContact O-CB 3.48Å; A25-L29 WeakPolarHBondContact O-CD1 3.36Å; A25-L29 VanDerWaalsContact O-CG 3.31Å; A25-L29 WeakPolarHBondContact O-CG 3.31Å; A25-L29 PolarHBondContact O-N 3.2Å; A25-I42 HydrophobicContact CB-CD1 3.71Å; A25-I42 HydrophobicContact CB-CG1 4.37Å; A25-F76 HydrophobicContact CB-CE2 3.98Å; A25-F76 HydrophobicContact CB-CZ 3.64Å; A25-L78 HydrophobicContact CB-CD1 3.73Å; A25-I83 HydrophobicContact CB-CG1 4.4Å
26T97.3Very high97.6Very high49 Ų4967.7 Ų67.730%0.30133%0.328SS..Hα-helixtrans-63.1-49.9175.2-59.80000110.4V22 E23 C24 A28 L29 E30V22-T26 WeakPolarHBondContact O-CB 3.47Å; V22-T26 PolarHBondContact O-N 2.87Å; V22-T26 PolarHBondContact O-OG1 3.2Å; E23-T26 WeakPolarHBondContact O-CB 3.46Å; E23-T26 PolarHBondContact O-N 3.5Å; C24-T26 PolarHBondContact O-N 3.38Å; T26-A28 VanDerWaalsContact C-N 3.31Å; T26-A28 PolarHBondContact O-N 2.96Å; T26-L29 PolarHBondContact O-N 3.48Å; T26-E30 WeakPolarHBondContact O-CG 3.11Å; T26-E30 PolarHBondContact O-N 2.81Å; T26-E30 VanDerWaalsContact O-N 3.1Å
27Q97.2Very high97.6Very high99 Ų9964 Ų6446%0.46331%0.309SS..Hα-helixtrans-60.2-40.4175.5-67.1172.732.600112E23 C24 L29 E30 K31E23-Q27 WeakPolarHBondContact O-CG 3.39Å; E23-Q27 PolarHBondContact O-N 3.43Å; C24-Q27 PolarHBondContact O-N 3.1Å; Q27-L29 PolarHBondContact O-N 3.38Å; Q27-E30 PolarHBondContact O-N 2.96Å; Q27-K31 WeakPolarHBondContact O-CB 3.26Å; Q27-K31 PolarHBondContact O-N 3.45Å; Q27-K31 VanDerWaalsContact O-N 3.12Å
28A98Very high97.6Very high0 Ų063.4 Ų63.40%031%0.306CS..Hα-helixtrans-61.3-4417700000112C24 A25 T26 E30 K31 Y32 I38 Y41 I42C24-A28 WeakPolarHBondContact O-CB 3.41Å; C24-A28 PolarHBondContact O-N 2.95Å; A25-A28 PolarHBondContact O-N 3.45Å; T26-A28 VanDerWaalsContact C-N 3.31Å; T26-A28 PolarHBondContact O-N 2.96Å; A28-E30 VanDerWaalsContact C-N 3.3Å; A28-E30 PolarHBondContact O-N 2.93Å; A28-K31 PolarHBondContact O-N 3.32Å; A28-Y32 WeakPolarHBondContact O-CB 3.43Å; A28-Y32 WeakPolarHBondContact O-CD2 3.41Å; A28-Y32 PolarHBondContact O-N 3.21Å; A28-I38 HydrophobicContact CB-CB 4.36Å; A28-I38 HydrophobicContact CB-CG2 3.58Å; A28-Y41 HydrophobicContact CB-CD1 3.56Å; A28-Y41 HydrophobicContact CB-CE1 4.19Å; A28-Y41 HydrophobicContact CB-CG 4.34Å; A28-I42 HydrophobicContact CB-CD1 4.28Å; A28-I42 HydrophobicContact CB-CG1 3.92Å
29L96.2Very high97.7Very high20 Ų2062.1 Ų62.111%0.10530%0.302CS..Hα-helixtrans-70.9-22.1179.7-77.1164.6000113.7A25 T26 Q27 I38 L78 V81A25-L29 WeakPolarHBondContact O-CB 3.48Å; A25-L29 WeakPolarHBondContact O-CD1 3.36Å; A25-L29 VanDerWaalsContact O-CG 3.31Å; A25-L29 WeakPolarHBondContact O-CG 3.31Å; A25-L29 PolarHBondContact O-N 3.2Å; T26-L29 PolarHBondContact O-N 3.48Å; Q27-L29 PolarHBondContact O-N 3.38Å; L29-I38 HydrophobicContact CD2-CD1 3.59Å; L29-I38 HydrophobicContact CD2-CG2 4.45Å; L29-I38 HydrophobicContact CG-CD1 4.42Å; L29-I38 HydrophobicContact CG-CG2 4.33Å; L29-L78 HydrophobicContact CD1-CB 3.78Å; L29-L78 HydrophobicContact CD1-CD1 3.63Å; L29-L78 HydrophobicContact CD1-CG 4.36Å; L29-V81 HydrophobicContact CD2-CG1 4.47Å; L29-V81 HydrophobicContact CD2-CG2 4.47Å
30E95.3Very high97.7Very high137 Ų13759.2 Ų59.264%0.6429%0.294SS*.Hα-helixtrans-79.7-33.9172.4-71.7177.9170.700111.9T26 Q27 A28T26-E30 WeakPolarHBondContact O-CG 3.11Å; T26-E30 PolarHBondContact O-N 2.81Å; T26-E30 VanDerWaalsContact O-N 3.1Å; Q27-E30 PolarHBondContact O-N 2.96Å; A28-E30 VanDerWaalsContact C-N 3.3Å; A28-E30 PolarHBondContact O-N 2.93Å
31K96.6Very high97.7Very high134 Ų13459.3 Ų59.358%0.58329%0.292SS*.Hα-helixtrans-89.1-30.7-175.2-171.8172.8179-172.40113.9Q27 A28Q27-K31 WeakPolarHBondContact O-CB 3.26Å; Q27-K31 PolarHBondContact O-N 3.45Å; Q27-K31 VanDerWaalsContact O-N 3.12Å; A28-K31 PolarHBondContact O-N 3.32Å
32Y97.4Very high97.7Very high68 Ų6859.3 Ų59.327%0.26729%0.292SS..  trans-128.1143.2-171.2-55.2-73.7000111.7A28 D37 Y41A28-Y32 WeakPolarHBondContact O-CB 3.43Å; A28-Y32 WeakPolarHBondContact O-CD2 3.41Å; A28-Y32 PolarHBondContact O-N 3.21Å; Y32-D37 HydrophobicContact CD1-CB 4.01Å; Y32-D37 HydrophobicContact CG-CB 4.15Å; Y32-Y41 HydrophobicContact CD2-CG 4.46Å; Y32-Y41 AromaticContact CE2-CD2 3.7Å; Y32-Y41 HydrophobicContact CE2-CD2 3.7Å; Y32-Y41 HydrophobicContact CE2-CE2 4.49Å; Y32-Y41 AromaticContact CE2-CG 3.74Å; Y32-Y41 HydrophobicContact CE2-CG 3.74Å
33N94.4Very high97.7Very high161 Ų16161.7 Ų61.786%0.86130%0.302SS*.SBendtrans-106.4-9.8179.7-68.1-50.2000113.8
34I97.4Very high97.8Very high95 Ų9564.5 Ų64.549%0.48731%0.312SS..SBendtrans-105.8126.7-177.1-58.5177.1000108.5K36 D37 I38I34-K36 HydrophobicContact CG2-CB 4.09Å; I34-K36 PolarHBondContact O-N 2.9Å; I34-K36 VanDerWaalsContact O-N 3.16Å; I34-D37 PolarHBondContact O-N 2.85Å; I34-I38 WeakPolarHBondContact O-CG1 3.46Å; I34-I38 PolarHBondContact O-N 2.57Å
35E98.1Very high97.8Very high80 Ų8067.4 Ų67.437%0.37433%0.325SS..Hα-helixtrans-55.8-38.4-175.3-67.3103.1158.900113D37 I38 A39 V58E35-D37 VanDerWaalsContact C-N 3.3Å; E35-D37 PolarHBondContact O-N 3.41Å; E35-I38 PolarHBondContact O-N 3.06Å; E35-A39 WeakPolarHBondContact O-CB 3.38Å; E35-A39 PolarHBondContact O-N 2.96Å; E35-V58 HydrophobicContact CB-CB 4.14Å; E35-V58 HydrophobicContact CB-CG1 3.99Å; E35-V58 WeakPolarHBondContact CB-O 3.48Å; E35-V58 HydrophobicContact CG-CG1 3.97Å
36K98.3Very high97.8Very high145 Ų14567.6 Ų67.663%0.6333%0.326SS*.Hα-helixtrans-55.3-43.8175.4-175.7-173.763.568.90112.4I34 A40I34-K36 HydrophobicContact CG2-CB 4.09Å; I34-K36 PolarHBondContact O-N 2.9Å; I34-K36 VanDerWaalsContact O-N 3.16Å; K36-A40 VanDerWaalsContact O-CB 3.3Å; K36-A40 WeakPolarHBondContact O-CB 3.45Å; K36-A40 PolarHBondContact O-N 2.92Å
37D98.6Very high97.9Very high51 Ų5166.9 Ų66.927%0.27332%0.32SS..Hα-helixtrans-76.9-35.2-175.1-62.4-27.1000111.1Y32 I34 E35 A40 Y41Y32-D37 HydrophobicContact CD1-CB 4.01Å; Y32-D37 HydrophobicContact CG-CB 4.15Å; I34-D37 PolarHBondContact O-N 2.85Å; E35-D37 VanDerWaalsContact C-N 3.3Å; E35-D37 PolarHBondContact O-N 3.41Å; D37-A40 PolarHBondContact O-N 2.95Å; D37-Y41 WeakPolarHBondContact O-CB 3.25Å; D37-Y41 PolarHBondContact O-N 2.94Å
38I98.7Very high97.9Very high6 Ų670.1 Ų70.13%0.03133%0.332CS..Hα-helixtrans-60.9-51.5171.2-59163.1000109.6A28 L29 I34 E35 A40 Y41 I42 V58A28-I38 HydrophobicContact CB-CB 4.36Å; A28-I38 HydrophobicContact CB-CG2 3.58Å; L29-I38 HydrophobicContact CD2-CD1 3.59Å; L29-I38 HydrophobicContact CD2-CG2 4.45Å; L29-I38 HydrophobicContact CG-CD1 4.42Å; L29-I38 HydrophobicContact CG-CG2 4.33Å; I34-I38 WeakPolarHBondContact O-CG1 3.46Å; I34-I38 PolarHBondContact O-N 2.57Å; E35-I38 PolarHBondContact O-N 3.06Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 2.94Å; I38-Y41 PolarHBondContact O-N 2.72Å; I38-I42 HydrophobicContact CG2-CD1 3.88Å; I38-I42 WeakPolarHBondContact O-CG1 3.13Å; I38-I42 PolarHBondContact O-N 3.3Å; I38-V58 HydrophobicContact CB-CG1 4.44Å; I38-V58 HydrophobicContact CB-CG2 4.48Å; I38-V58 HydrophobicContact CG2-CG1 4.22Å; I38-V58 HydrophobicContact CG2-CG2 4.06Å
39A98.8Very high97.9Very high12 Ų1275.8 Ų75.810%0.09936%0.357CS..Hα-helixtrans-59.1-44.6179.100000111.7E35 Y41 I42 K43 C56 V58E35-A39 WeakPolarHBondContact O-CB 3.38Å; E35-A39 PolarHBondContact O-N 2.96Å; A39-Y41 VanDerWaalsContact C-N 3.33Å; A39-Y41 PolarHBondContact O-N 2.77Å; A39-I42 PolarHBondContact O-N 2.87Å; A39-K43 VanDerWaalsContact O-CB 3.28Å; A39-K43 WeakPolarHBondContact O-CB 3.17Å; A39-K43 PolarHBondContact O-N 3.26Å; A39-C56 HydrophobicContact CB-CB 4.3Å; A39-C56 WeakPolarHBondContact O-CB 3.33Å; A39-V58 HydrophobicContact CB-CB 4.21Å; A39-V58 HydrophobicContact CB-CG2 3.75Å
40A98.8Very high98Very high36 Ų3676.6 Ų76.630%0.29836%0.359SS..Hα-helixtrans-63.2-37.7177.900000112.6K36 D37 I38 K44K36-A40 VanDerWaalsContact O-CB 3.3Å; K36-A40 WeakPolarHBondContact O-CB 3.45Å; K36-A40 PolarHBondContact O-N 2.92Å; D37-A40 PolarHBondContact O-N 2.95Å; I38-A40 VanDerWaalsContact C-N 3.33Å; I38-A40 PolarHBondContact O-N 2.94Å; A40-K44 WeakPolarHBondContact O-CB 3.28Å; A40-K44 VanDerWaalsContact O-CG 3.22Å; A40-K44 WeakPolarHBondContact O-CG 3.45Å; A40-K44 PolarHBondContact O-N 2.8Å; A40-K44 VanDerWaalsContact O-N 3.13Å
41Y98.8Very high98.2Very high44 Ų4475.4 Ų75.417%0.17336%0.357CS..Hα-helixtrans-65.1-53.1176177.8-93.7000111.5A28 Y32 D37 I38 A39 K43 K44 E45A28-Y41 HydrophobicContact CB-CD1 3.56Å; A28-Y41 HydrophobicContact CB-CE1 4.19Å; A28-Y41 HydrophobicContact CB-CG 4.34Å; Y32-Y41 HydrophobicContact CD2-CG 4.46Å; Y32-Y41 AromaticContact CE2-CD2 3.7Å; Y32-Y41 HydrophobicContact CE2-CD2 3.7Å; Y32-Y41 HydrophobicContact CE2-CE2 4.49Å; Y32-Y41 AromaticContact CE2-CG 3.74Å; Y32-Y41 HydrophobicContact CE2-CG 3.74Å; D37-Y41 WeakPolarHBondContact O-CB 3.25Å; D37-Y41 PolarHBondContact O-N 2.94Å; I38-Y41 PolarHBondContact O-N 2.72Å; A39-Y41 VanDerWaalsContact C-N 3.33Å; A39-Y41 PolarHBondContact O-N 2.77Å; Y41-K43 VanDerWaalsContact C-N 3.33Å; Y41-K43 PolarHBondContact O-N 2.81Å; Y41-K44 PolarHBondContact O-N 2.9Å; Y41-E45 HydrophobicContact CD1-CG 4.45Å; Y41-E45 HydrophobicContact CE1-CG 4.05Å; Y41-E45 HydrophobicContact CE2-CG 4.16Å; Y41-E45 PolarHBondContact O-N 2.9Å
42I98.8Very high98.3Very high1 Ų173 Ų731%0.00536%0.355CS..Hα-helixtrans-58.1-47.7-179.3-62.2164.5000110.5A25 A28 I38 A39 K44 E45 F46 V58 I83 L85A25-I42 HydrophobicContact CB-CD1 3.71Å; A25-I42 HydrophobicContact CB-CG1 4.37Å; A28-I42 HydrophobicContact CB-CD1 4.28Å; A28-I42 HydrophobicContact CB-CG1 3.92Å; I38-I42 HydrophobicContact CG2-CD1 3.88Å; I38-I42 WeakPolarHBondContact O-CG1 3.13Å; I38-I42 PolarHBondContact O-N 3.3Å; A39-I42 PolarHBondContact O-N 2.87Å; I42-K44 PolarHBondContact O-N 3.12Å; I42-E45 PolarHBondContact O-N 2.99Å; I42-F46 HydrophobicContact CG2-CD2 4.19Å; I42-F46 WeakPolarHBondContact O-CB 3.38Å; I42-F46 PolarHBondContact O-N 2.99Å; I42-V58 HydrophobicContact CD1-CG2 4.35Å; I42-I83 HydrophobicContact CD1-CG2 4.11Å; I42-L85 HydrophobicContact CG2-CD1 4Å; I42-L85 HydrophobicContact CG2-CD2 3.82Å; I42-L85 HydrophobicContact CG2-CG 4.46Å
43K98.8Very high98.3Very high60 Ų6072.4 Ų72.426%0.26136%0.359SS..Hα-helixtrans-55.2-49.1177.5-172.1-152.7-179.5-46.60111.7A39 Y41 F46 D47 W54 C56A39-K43 VanDerWaalsContact O-CB 3.28Å; A39-K43 WeakPolarHBondContact O-CB 3.17Å; A39-K43 PolarHBondContact O-N 3.26Å; Y41-K43 VanDerWaalsContact C-N 3.33Å; Y41-K43 PolarHBondContact O-N 2.81Å; K43-F46 PolarHBondContact O-N 2.88Å; K43-D47 IonicContact NZ-OD1 2.63Å; K43-D47 IonicContact NZ-OD2 3.56Å; K43-D47 PolarHBondContact NZ-OD2 3.33Å; K43-D47 WeakPolarHBondContact O-CB 3.37Å; K43-D47 VanDerWaalsContact O-CG 3.28Å; K43-D47 PolarHBondContact O-N 2.98Å; K43-W54 WeakPolarHBondContact CE-O 3.49Å; K43-W54 HydrophobicContact CG-CB 4.3Å; K43-W54 WeakPolarHBondContact CG-O 3.18Å; K43-W54 PolarHBondContact NZ-O 3.16Å; K43-C56 HydrophobicContact CB-CB 4.03Å
44K98.8Very high98.5Very high144 Ų14464.8 Ų64.863%0.62632%0.318SS*.Hα-helixtrans-64.3-41.7-177.8-77.8174.9-180-1780112.5A40 Y41 I42 K48A40-K44 WeakPolarHBondContact O-CB 3.28Å; A40-K44 VanDerWaalsContact O-CG 3.22Å; A40-K44 WeakPolarHBondContact O-CG 3.45Å; A40-K44 PolarHBondContact O-N 2.8Å; A40-K44 VanDerWaalsContact O-N 3.13Å; Y41-K44 PolarHBondContact O-N 2.9Å; I42-K44 PolarHBondContact O-N 3.12Å; K44-K48 WeakPolarHBondContact O-CB 3.46Å; K44-K48 PolarHBondContact O-N 3.38Å
45E98.8Very high98.6Very high73 Ų7363.4 Ų63.434%0.34131%0.309SS..Hα-helixtrans-66.3-40.1177.3-70-56.6126.700111.2Y41 I42 K48 K49Y41-E45 HydrophobicContact CD1-CG 4.45Å; Y41-E45 HydrophobicContact CE1-CG 4.05Å; Y41-E45 HydrophobicContact CE2-CG 4.16Å; Y41-E45 PolarHBondContact O-N 2.9Å; I42-E45 PolarHBondContact O-N 2.99Å; E45-K48 PolarHBondContact O-N 2.82Å; E45-K49 VanDerWaalsContact O-CB 3.32Å; E45-K49 WeakPolarHBondContact O-CB 3.47Å; E45-K49 PolarHBondContact O-N 3.34Å
46F98.7Very high98.6Very high5 Ų560.6 Ų60.62%0.02230%0.298CS..Hα-helixtrans-69.8-39.8176.4-92.7-107.4000113.3M17 D20 A21 C24 I42 K43 K48 K49 Y50 W54 L85M17-F46 HydrophobicContact CG-CE1 4.01Å; D20-F46 HydrophobicContact CB-CZ 4.46Å; A21-F46 VanDerWaalsContact CA-CZ 3.44Å; A21-F46 HydrophobicContact CB-CE1 4.35Å; A21-F46 HydrophobicContact CB-CE2 4.19Å; A21-F46 HydrophobicContact CB-CZ 3.57Å; C24-F46 HydrophobicContact CB-CE2 4.06Å; I42-F46 HydrophobicContact CG2-CD2 4.19Å; I42-F46 WeakPolarHBondContact O-CB 3.38Å; I42-F46 PolarHBondContact O-N 2.99Å; K43-F46 PolarHBondContact O-N 2.88Å; F46-K48 VanDerWaalsContact C-N 3.25Å; F46-K48 PolarHBondContact O-N 3.45Å; F46-K49 PolarHBondContact O-N 3.32Å; F46-Y50 HydrophobicContact CB-CD2 4.39Å; F46-Y50 AromaticContact CD1-CD2 3.41Å; F46-Y50 HydrophobicContact CD1-CD2 3.41Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.41Å; F46-Y50 AromaticContact CD1-CE2 3.69Å; F46-Y50 HydrophobicContact CD1-CE2 3.69Å; F46-Y50 AromaticContact CE1-CD2 3.68Å; F46-Y50 HydrophobicContact CE1-CD2 3.68Å; F46-Y50 AromaticContact CE1-CE2 3.48Å; F46-Y50 HydrophobicContact CE1-CE2 3.48Å; F46-Y50 VanDerWaalsContact CE1-CE2 3.48Å; F46-Y50 HydrophobicContact CE2-CE2 4.36Å; F46-Y50 AromaticContact CG-CD2 3.96Å; F46-Y50 HydrophobicContact CG-CD2 3.96Å; F46-Y50 HydrophobicContact CG-CE2 4.22Å; F46-Y50 HydrophobicContact CZ-CD2 4.4Å; F46-Y50 AromaticContact CZ-CE2 3.82Å; F46-Y50 HydrophobicContact CZ-CE2 3.82Å; F46-Y50 WeakPolarHBondContact O-CA 3.38Å; F46-Y50 PolarHBondContact O-N 3.04Å; F46-W54 VanDerWaalsContact C-CD1 3.47Å; F46-W54 HydrophobicContact CB-CB 4.22Å; F46-W54 HydrophobicContact CB-CD2 3.81Å; F46-W54 HydrophobicContact CB-CE3 4.36Å; 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 3.79Å; F46-W54 AromaticContact CD1-CE3 3.86Å; F46-W54 HydrophobicContact CD1-CE3 3.86Å; F46-W54 AromaticContact CD1-CH2 3.68Å; F46-W54 HydrophobicContact CD1-CH2 3.68Å; F46-W54 AromaticContact CD1-CZ2 3.69Å; F46-W54 HydrophobicContact CD1-CZ2 3.69Å; F46-W54 AromaticContact CD1-CZ3 3.77Å; F46-W54 HydrophobicContact CD1-CZ3 3.77Å; F46-W54 HydrophobicContact CE1-CH2 4.05Å; F46-W54 HydrophobicContact CE1-CZ2 4.37Å; F46-W54 HydrophobicContact CE1-CZ3 4.25Å; F46-W54 HydrophobicContact CG-CD2 4.3Å; F46-W54 HydrophobicContact CG-CE3 4.47Å; F46-W54 PolarHBondContact O-NE1 2.88Å; F46-L85 HydrophobicContact CD1-CD2 3.66Å; F46-L85 HydrophobicContact CD1-CG 4.43Å; F46-L85 HydrophobicContact CD2-CD2 3.85Å; F46-L85 HydrophobicContact CE1-CD2 3.62Å; F46-L85 HydrophobicContact CE2-CD2 3.82Å; F46-L85 HydrophobicContact CG-CD1 4.45Å; F46-L85 HydrophobicContact CG-CD2 3.79Å; F46-L85 HydrophobicContact CZ-CD2 3.72Å
47D98.7Very high98.6Very high33 Ų3356.7 Ų56.718%0.17628%0.283CS..Hα-helixtrans-57.3-42.3171-76.4-28.7000111.1K43 N51 P52 W54K43-D47 IonicContact NZ-OD1 2.63Å; K43-D47 IonicContact NZ-OD2 3.56Å; K43-D47 PolarHBondContact NZ-OD2 3.33Å; K43-D47 WeakPolarHBondContact O-CB 3.37Å; K43-D47 VanDerWaalsContact O-CG 3.28Å; K43-D47 PolarHBondContact O-N 2.98Å; D47-N51 CarbonylContact O-C 3.31Å; D47-N51 VanDerWaalsContact O-C 3.31Å; D47-N51 WeakPolarHBondContact O-CA 3.45Å; D47-N51 PolarHBondContact O-N 3.04Å; D47-P52 HydrophobicContact CB-CB 4.43Å; D47-P52 WeakPolarHBondContact OD1-CA 3.48Å; D47-W54 WeakPolarHBondContact OD1-CB 3.26Å; D47-W54 PolarHBondContact OD1-N 3.18Å
48K98.6Very high98.6Very high168 Ų16855.1 Ų55.173%0.7328%0.275SS*.Hα-helixtrans-70.8-41.3-179.8-176.3-176.7174.6-169.20112.5K44 E45 F46K44-K48 WeakPolarHBondContact O-CB 3.46Å; K44-K48 PolarHBondContact O-N 3.38Å; E45-K48 PolarHBondContact O-N 2.82Å; F46-K48 VanDerWaalsContact C-N 3.25Å; F46-K48 PolarHBondContact O-N 3.45Å
49K98.5Very high98.6Very high118 Ų11855.2 Ų55.251%0.51328%0.278SS..Hα-helixtrans-85.5-37-173.9-169.7174.9-178.4-1690113.3D20 E45 F46D20-K49 IonicContact OD1-NZ 2.77Å; D20-K49 PolarHBondContact OD1-NZ 3.46Å; D20-K49 IonicContact OD2-NZ 2.72Å; D20-K49 PolarHBondContact OD2-NZ 3.36Å; E45-K49 VanDerWaalsContact O-CB 3.32Å; E45-K49 WeakPolarHBondContact O-CB 3.47Å; E45-K49 PolarHBondContact O-N 3.34Å; F46-K49 PolarHBondContact O-N 3.32Å
50Y98.3Very high98.5Very high38 Ų3862.3 Ų62.315%0.14930%0.303CS..Hα-helixtrans-121.117.4-172.4-54.2-73.5000113.9M17 D20 F46 W54 K87M17-Y50 HydrophobicContact CE-CD1 3.67Å; M17-Y50 HydrophobicContact CE-CE1 3.83Å; M17-Y50 HydrophobicContact CE-CG 4.19Å; M17-Y50 HydrophobicContact CG-CE1 4.26Å; M17-Y50 HydrophobicContact CG-CE2 4.26Å; D20-Y50 VanDerWaalsContact CB-OH 3.25Å; D20-Y50 WeakPolarHBondContact CB-OH 3.48Å; D20-Y50 PolarHBondContact OD2-OH 3.4Å; F46-Y50 HydrophobicContact CB-CD2 4.39Å; F46-Y50 AromaticContact CD1-CD2 3.41Å; F46-Y50 HydrophobicContact CD1-CD2 3.41Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.41Å; F46-Y50 AromaticContact CD1-CE2 3.69Å; F46-Y50 HydrophobicContact CD1-CE2 3.69Å; F46-Y50 AromaticContact CE1-CD2 3.68Å; F46-Y50 HydrophobicContact CE1-CD2 3.68Å; F46-Y50 AromaticContact CE1-CE2 3.48Å; F46-Y50 HydrophobicContact CE1-CE2 3.48Å; F46-Y50 VanDerWaalsContact CE1-CE2 3.48Å; F46-Y50 HydrophobicContact CE2-CE2 4.36Å; F46-Y50 AromaticContact CG-CD2 3.96Å; F46-Y50 HydrophobicContact CG-CD2 3.96Å; F46-Y50 HydrophobicContact CG-CE2 4.22Å; F46-Y50 HydrophobicContact CZ-CD2 4.4Å; F46-Y50 AromaticContact CZ-CE2 3.82Å; F46-Y50 HydrophobicContact CZ-CE2 3.82Å; F46-Y50 WeakPolarHBondContact O-CA 3.38Å; F46-Y50 PolarHBondContact O-N 3.04Å; Y50-W54 HydrophobicContact CD2-CZ2 4.27Å; Y50-W54 HydrophobicContact CG-CZ2 4.23Å; Y50-K87 PolarHBondContact O-NZ 3.03Å
51N98.1Very high98.3Very high112 Ų11268.3 Ų68.360%0.59933%0.329SS*.  trans66.3145.7-176.6-48.2-72.1000113.1D47 W54 K87D47-N51 CarbonylContact O-C 3.31Å; D47-N51 VanDerWaalsContact O-C 3.31Å; D47-N51 WeakPolarHBondContact O-CA 3.45Å; D47-N51 PolarHBondContact O-N 3.04Å; N51-W54 PolarHBondContact O-NE1 3.35Å; N51-K87 PolarHBondContact O-NZ 2.83Å
52P98.1Very high98.3Very high82 Ų8268.6 Ų68.653%0.53233%0.332SS..SBendtrans-65.3162.8175.828.9-35.6000112.4D47 K87D47-P52 HydrophobicContact CB-CB 4.43Å; D47-P52 WeakPolarHBondContact OD1-CA 3.48Å; P52-K87 VanDerWaalsContact O-CE 3.28Å; P52-K87 WeakPolarHBondContact O-CE 3.43Å; P52-K87 PolarHBondContact O-NZ 3.38Å
53T97.9Very high98.2Very high57 Ų5772.2 Ų72.235%0.3537%0.369SS..  cis-112.4112.74.8-54.10000112.1K87 S88T53-K87 WeakPolarHBondContact O-CA 3.22Å; T53-K87 WeakPolarHBondContact O-CG 3.4Å; T53-S88 PolarHBondContact O-N 3.13Å
54W98.8Very high98.1Very high0 Ų072.3 Ų72.30%038%0.377CS..EExtended strand (participates in β ladder)trans-87.6151.8172.6-69.283.4000112M13 M17 K43 F46 D47 Y50 N51 H72 L85 F86 K87M13-W54 HydrophobicContact CE-CH2 3.92Å; M13-W54 HydrophobicContact CE-CZ3 4.02Å; M17-W54 HydrophobicContact SD-CH2 3.75Å; M17-W54 HydrophobicContact SD-CZ2 4.17Å; K43-W54 WeakPolarHBondContact CE-O 3.49Å; K43-W54 HydrophobicContact CG-CB 4.3Å; K43-W54 WeakPolarHBondContact CG-O 3.18Å; K43-W54 PolarHBondContact NZ-O 3.16Å; F46-W54 VanDerWaalsContact C-CD1 3.47Å; F46-W54 HydrophobicContact CB-CB 4.22Å; F46-W54 HydrophobicContact CB-CD2 3.81Å; F46-W54 HydrophobicContact CB-CE3 4.36Å; 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 3.79Å; F46-W54 AromaticContact CD1-CE3 3.86Å; F46-W54 HydrophobicContact CD1-CE3 3.86Å; F46-W54 AromaticContact CD1-CH2 3.68Å; F46-W54 HydrophobicContact CD1-CH2 3.68Å; F46-W54 AromaticContact CD1-CZ2 3.69Å; F46-W54 HydrophobicContact CD1-CZ2 3.69Å; F46-W54 AromaticContact CD1-CZ3 3.77Å; F46-W54 HydrophobicContact CD1-CZ3 3.77Å; F46-W54 HydrophobicContact CE1-CH2 4.05Å; F46-W54 HydrophobicContact CE1-CZ2 4.37Å; F46-W54 HydrophobicContact CE1-CZ3 4.25Å; F46-W54 HydrophobicContact CG-CD2 4.3Å; F46-W54 HydrophobicContact CG-CE3 4.47Å; F46-W54 PolarHBondContact O-NE1 2.88Å; D47-W54 WeakPolarHBondContact OD1-CB 3.26Å; D47-W54 PolarHBondContact OD1-N 3.18Å; Y50-W54 HydrophobicContact CD2-CZ2 4.27Å; Y50-W54 HydrophobicContact CG-CZ2 4.23Å; N51-W54 PolarHBondContact O-NE1 3.35Å; W54-H72 HydrophobicContact CH2-CB 3.82Å; W54-H72 AromaticContact CH2-CD2 3.88Å; W54-H72 HydrophobicContact CZ2-CB 4.31Å; W54-H72 AromaticContact CZ2-CD2 3.66Å; W54-H72 HydrophobicContact CZ3-CB 4.28Å; W54-L85 HydrophobicContact CB-CD1 4.46Å; W54-L85 HydrophobicContact CE3-CD1 3.75Å; W54-L85 HydrophobicContact CE3-CD2 4.41Å; W54-L85 HydrophobicContact CE3-CG 3.75Å; W54-L85 HydrophobicContact CZ3-CD1 4.44Å; W54-L85 HydrophobicContact CZ3-CD2 4.39Å; W54-L85 HydrophobicContact CZ3-CG 3.94Å; W54-F86 CarbonylContact C-O 3.47Å; W54-F86 WeakPolarHBondContact CA-O 3.33Å; W54-K87 HydrophobicContact CD2-CB 4.08Å; W54-K87 HydrophobicContact CD2-CG 4.43Å; W54-K87 HydrophobicContact CE3-CB 4.16Å; W54-K87 HydrophobicContact CH2-CB 4.5Å; W54-K87 HydrophobicContact CZ2-CB 4.41Å; W54-K87 HydrophobicContact CZ3-CB 4.37Å
55H98.8Very high98Very high67 Ų6776.6 Ų76.631%0.3139%0.391SS..EExtended strand (participates in β ladder)trans-128.6137175.7-58.4-87.1000108.1L85 F86 S88H55-L85 WeakPolarHBondContact O-CA 3.41Å; H55-L85 WeakPolarHBondContact O-CD1 3.43Å; H55-F86 HydrophobicContact CB-CD1 4.14Å; H55-F86 HydrophobicContact CB-CD2 4.32Å; H55-F86 HydrophobicContact CB-CE1 3.66Å; H55-F86 HydrophobicContact CB-CE2 3.87Å; H55-F86 HydrophobicContact CB-CG 4.45Å; H55-F86 HydrophobicContact CB-CZ 3.51Å; H55-F86 AromaticContact CD2-CE2 3.83Å; H55-F86 AromaticContact CG-CE2 3.99Å; H55-F86 AromaticContact CG-CZ 3.97Å; H55-F86 PolarHBondContact N-O 2.63Å; H55-F86 PolarHBondContact O-N 2.78Å; H55-S88 PolarHBondContact NE2-O 2.81Å
56C98.8Very high97.9Very high21 Ų2175.3 Ų75.314%0.14239%0.388CS..EExtended strand (participates in β ladder)trans-134.5132.9-178.5-1710000110.1A39 K43 L84 L85A39-C56 HydrophobicContact CB-CB 4.3Å; A39-C56 WeakPolarHBondContact O-CB 3.33Å; K43-C56 HydrophobicContact CB-CB 4.03Å; C56-L84 CarbonylContact C-O 2.86Å; C56-L84 WeakPolarHBondContact CA-O 2.96Å; C56-L85 HydrophobicContact CB-CD1 3.94Å
57I98.8Very high97.9Very high63 Ų6380.6 Ų80.632%0.32342%0.421SS..EExtended strand (participates in β ladder)trans-123.1130.7174.8-61.7164000107.3F62 I83 L84I57-F62 HydrophobicContact CG2-CD1 4.26Å; I57-F62 HydrophobicContact CG2-CD2 4Å; I57-F62 HydrophobicContact CG2-CE1 4.1Å; I57-F62 HydrophobicContact CG2-CE2 3.84Å; I57-F62 HydrophobicContact CG2-CG 4.21Å; I57-F62 HydrophobicContact CG2-CZ 3.88Å; I57-I83 WeakPolarHBondContact O-CA 3.49Å; I57-L84 HydrophobicContact CB-CB 4.28Å; I57-L84 HydrophobicContact CD1-CD2 3.98Å; I57-L84 PolarHBondContact N-O 2.76Å; I57-L84 PolarHBondContact O-N 2.83Å
58V98.7Very high97.8Very high17 Ų1782.1 Ų82.110%0.10343%0.427CS..EExtended strand (participates in β ladder)trans-128.1132.3177.9178.80000107.9E35 I38 A39 I42 V81 A82 I83E35-V58 HydrophobicContact CB-CB 4.14Å; E35-V58 HydrophobicContact CB-CG1 3.99Å; E35-V58 WeakPolarHBondContact CB-O 3.48Å; E35-V58 HydrophobicContact CG-CG1 3.97Å; I38-V58 HydrophobicContact CB-CG1 4.44Å; I38-V58 HydrophobicContact CB-CG2 4.48Å; I38-V58 HydrophobicContact CG2-CG1 4.22Å; I38-V58 HydrophobicContact CG2-CG2 4.06Å; A39-V58 HydrophobicContact CB-CB 4.21Å; A39-V58 HydrophobicContact CB-CG2 3.75Å; I42-V58 HydrophobicContact CD1-CG2 4.35Å; V58-V81 HydrophobicContact CG1-CG1 3.42Å; V58-V81 VanDerWaalsContact CG1-CG1 3.42Å; V58-A82 WeakPolarHBondContact CA-O 3.16Å; V58-I83 HydrophobicContact CG2-CG1 4.2Å; V58-I83 HydrophobicContact CG2-CG2 4.37Å
59G97.9Very high97.8Very high9 Ų977.1 Ų77.19%0.09341%0.406CS..EExtended strand (participates in β ladder)trans-179.2161179.700000113.5A82G59-A82 PolarHBondContact N-O 3.18Å; G59-A82 WeakPolarHBondContact O-CB 3.48Å; G59-A82 PolarHBondContact O-N 3.35Å
60R96.7Very high97.8Very high161 Ų16176.6 Ų76.661%0.60841%0.413SS*.SBendtrans-86.1-24.9175.5-59.3-174-173.3-155.73.4113.1V81R60-V81 HydrophobicContact CG-CG2 4.41Å
61N95.2Very high97.8Very high161 Ų16181.7 Ų81.786%0.86144%0.436SS*.SBendtrans-147.3106.1-179.1-1724.4000110.1
62F97.7Very high97.8Very high51 Ų5178.6 Ų78.622%0.22442%0.418CS..  trans-156.3155.5171.666.3-89.8000110.3I57 Y75 A82 L84I57-F62 HydrophobicContact CG2-CD1 4.26Å; I57-F62 HydrophobicContact CG2-CD2 4Å; I57-F62 HydrophobicContact CG2-CE1 4.1Å; I57-F62 HydrophobicContact CG2-CE2 3.84Å; I57-F62 HydrophobicContact CG2-CG 4.21Å; I57-F62 HydrophobicContact CG2-CZ 3.88Å; F62-Y75 HydrophobicContact CE2-CE2 4.44Å; F62-Y75 HydrophobicContact CZ-CE2 4.02Å; F62-A82 HydrophobicContact CE1-CB 3.64Å; F62-A82 HydrophobicContact CZ-CB 3.98Å; F62-L84 HydrophobicContact CE2-CB 4.12Å; F62-L84 HydrophobicContact CE2-CD2 4.25Å; F62-L84 HydrophobicContact CZ-CB 4.06Å
63G96.8Very high97.8Very high76 Ų7675.8 Ų75.878%0.78440%0.397SS*.  trans-114.9151.9162.400000109.4
64S96.6Very high97.9Very high62 Ų6273 Ų7343%0.43438%0.381SS..  trans-143.1141.8-179.159.60000110.8L84S64-L84 WeakPolarHBondContact OG-CD2 3.18Å
65Y97.5Very high97.9Very high234 Ų23475.5 Ų75.592%0.91839%0.39SS*.  trans-129.8105.3169-164.3-84.6000107.4
66V96.8Very high97.8Very high47 Ų4772.4 Ų72.429%0.28538%0.376SS..  trans-132.8146.9-171-58.90000110.8F73 F86V66-F73 HydrophobicContact CG2-CE2 4.14Å; V66-F86 HydrophobicContact CB-CE1 4.26Å; V66-F86 HydrophobicContact CB-CE2 4.06Å; V66-F86 HydrophobicContact CB-CZ 3.86Å; V66-F86 HydrophobicContact CG1-CE1 4.04Å; V66-F86 HydrophobicContact CG1-CE2 4.45Å; V66-F86 HydrophobicContact CG1-CZ 3.78Å; V66-F86 HydrophobicContact CG2-CD1 4.16Å; V66-F86 HydrophobicContact CG2-CD2 4.35Å; V66-F86 HydrophobicContact CG2-CE1 4.05Å; V66-F86 HydrophobicContact CG2-CE2 4.25Å; V66-F86 HydrophobicContact CG2-CG 4.31Å; V66-F86 HydrophobicContact CG2-CZ 4.1Å
67T97.7Very high97.8Very high116 Ų11674.5 Ų74.571%0.71238%0.381SS*.  trans-95.7141.8166-53.90000108.4
68H98.2Very high97.7Very high64 Ų6471.6 Ų71.630%0.29637%0.366SS..  trans-139.4159.6-178.158.1-83.1000110.9F73 F86 K87H68-F73 HydrophobicContact CB-CB 4.41Å; H68-F73 HydrophobicContact CB-CD2 4.24Å; H68-F73 WeakPolarHBondContact CD2-CB 3.28Å; H68-F73 AromaticContact CD2-CG 3.89Å; H68-F73 AromaticContact CE1-CD2 3.73Å; H68-F73 AromaticContact CE1-CG 3.86Å; H68-F73 AromaticContact CG-CD2 3.69Å; H68-F73 AromaticContact ND1-CD2 3.51Å; H68-F73 WeakPolarHBondContact NE2-CB 3.37Å; H68-F73 AromaticContact NE2-CG 3.76Å; H68-F86 HydrophobicContact CB-CB 3.93Å; H68-F86 HydrophobicContact CB-CD2 3.92Å; H68-F86 HydrophobicContact CB-CG 4.32Å; H68-K87 CarbonylContact C-O 3.57Å; H68-K87 VanDerWaalsContact CA-O 3.28Å; H68-K87 WeakPolarHBondContact CA-O 3.32Å; H68-K87 WeakPolarHBondContact CB-O 3.46Å
69E98Very high97.4Very high63 Ų6373 Ų7329%0.29438%0.384SS..  trans-69.6140.6169.8-69.5169-13200110.8H72 K87 G89E69-H72 PolarHBondContact O-N 3.46Å; E69-K87 HydrophobicContact CB-CB 4.49Å; E69-K87 PolarHBondContact N-O 3.4Å; E69-K87 WeakPolarHBondContact OE1-CG 3.42Å; E69-K87 VanDerWaalsContact OE2-CD 3.25Å; E69-K87 WeakPolarHBondContact OE2-CD 3.3Å; E69-K87 WeakPolarHBondContact OE2-CE 3.28Å; E69-G89 PolarHBondContact OE1-N 2.98Å; E69-G89 VanDerWaalsContact OE1-N 3.15Å
70T97.6Very high97.2Very high108 Ų10879.4 Ų79.466%0.66341%0.412SS*.THydrogen-bonded Turntrans-52.6140.6177-38.50000111H72T70-H72 PolarHBondContact O-N 3.17Å; T70-H72 PolarHBondContact O-ND1 3.2Å
71K98.3Very high97.2Very high144 Ų14472.5 Ų72.563%0.62639%0.388SS*.THydrogen-bonded Turntrans64.817.1178.9-52.7-172.6177.6179.70115.5D12 M13D12-K71 CarbonylContact O-C 3.58Å; D12-K71 WeakPolarHBondContact O-CA 3.42Å; D12-K71 PolarHBondContact OD2-N 3.06Å; M13-K71 WeakPolarHBondContact CA-O 3.27Å; M13-K71 VanDerWaalsContact CB-O 3.26Å; M13-K71 WeakPolarHBondContact CB-O 3.39Å
72H98.6Very high97.4Very high47 Ų4764.9 Ų64.922%0.21835%0.347CS..  trans-134.849.8179.6-58.589.6000112.5D12 W54 E69 T70 F86 K87D12-H72 PolarHBondContact O-N 3.31Å; W54-H72 HydrophobicContact CH2-CB 3.82Å; W54-H72 AromaticContact CH2-CD2 3.88Å; W54-H72 HydrophobicContact CZ2-CB 4.31Å; W54-H72 AromaticContact CZ2-CD2 3.66Å; W54-H72 HydrophobicContact CZ3-CB 4.28Å; E69-H72 PolarHBondContact O-N 3.46Å; T70-H72 PolarHBondContact O-N 3.17Å; T70-H72 PolarHBondContact O-ND1 3.2Å; H72-F86 CarbonylContact O-C 3.55Å; 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 4.26Å; H72-K87 HydrophobicContact CB-CG 4.49Å; H72-K87 PolarHBondContact O-N 3.38Å
73F98.7Very high97.4Very high23 Ų2362.5 Ų62.510%0.10134%0.336CS..EExtended strand (participates in β ladder)trans-140.4136177.7175.1-80.6000112.5N10 A11 D12 V66 H68 L84 F86N10-F73 HydrophobicContact CB-CE1 4.17Å; A11-F73 CarbonylContact C-O 3.49Å; A11-F73 WeakPolarHBondContact CA-O 3.47Å; D12-F73 CarbonylContact C-O 3.55Å; D12-F73 HydrophobicContact CB-CB 4.41Å; D12-F73 PolarHBondContact N-O 3.31Å; D12-F73 PolarHBondContact O-N 2.93Å; V66-F73 HydrophobicContact CG2-CE2 4.14Å; H68-F73 HydrophobicContact CB-CB 4.41Å; H68-F73 HydrophobicContact CB-CD2 4.24Å; H68-F73 WeakPolarHBondContact CD2-CB 3.28Å; H68-F73 AromaticContact CD2-CG 3.89Å; H68-F73 AromaticContact CE1-CD2 3.73Å; H68-F73 AromaticContact CE1-CG 3.86Å; H68-F73 AromaticContact CG-CD2 3.69Å; H68-F73 AromaticContact ND1-CD2 3.51Å; H68-F73 WeakPolarHBondContact NE2-CB 3.37Å; H68-F73 AromaticContact NE2-CG 3.76Å; F73-L84 HydrophobicContact CD2-CD1 4.2Å; F73-L84 HydrophobicContact CE2-CD1 3.41Å; F73-L84 VanDerWaalsContact CE2-CD1 3.41Å; F73-L84 HydrophobicContact CZ-CD1 3.62Å; F73-F86 HydrophobicContact CB-CB 4.34Å; F73-F86 HydrophobicContact CD2-CB 3.68Å; F73-F86 HydrophobicContact CD2-CG 4.48Å; F73-F86 HydrophobicContact CE2-CB 4.48Å; F73-F86 HydrophobicContact CG-CB 4.4Å
74I98.9Very high97.5Very high0 Ų058.9 Ų58.90%030%0.299CS..EExtended strand (participates in β ladder)trans-147.7138.7170.4-168.1179.8000111.2I8 A11 M13 Q18 A21 F76 L85I8-I74 HydrophobicContact CG2-CG1 4.47Å; A11-I74 HydrophobicContact CB-CB 4.48Å; A11-I74 HydrophobicContact CB-CG1 4.04Å; M13-I74 HydrophobicContact CE-CB 4.02Å; M13-I74 HydrophobicContact CE-CG2 3.89Å; M13-I74 HydrophobicContact CG-CB 4.44Å; M13-I74 HydrophobicContact SD-CB 3.77Å; M13-I74 HydrophobicContact SD-CD1 4.31Å; M13-I74 HydrophobicContact SD-CG2 3.94Å; Q18-I74 HydrophobicContact CB-CD1 3.9Å; Q18-I74 HydrophobicContact CG-CD1 3.92Å; A21-I74 HydrophobicContact CB-CD1 4.2Å; A21-I74 HydrophobicContact CB-CG2 4.05Å; I74-F76 HydrophobicContact CD1-CD1 3.81Å; I74-F76 HydrophobicContact CD1-CE1 4.19Å; I74-F76 HydrophobicContact CG1-CD1 3.85Å; I74-F76 HydrophobicContact CG1-CE1 4.48Å; I74-F76 HydrophobicContact CG2-CD1 4.29Å; I74-F76 HydrophobicContact CG2-CE1 4.2Å; I74-L85 HydrophobicContact CG2-CB 3.86Å; I74-L85 HydrophobicContact CG2-CD2 4.28Å; I74-L85 HydrophobicContact CG2-CG 4.44Å; I74-L85 PolarHBondContact N-O 2.95Å; I74-L85 PolarHBondContact O-N 2.95Å
75Y98.8Very high97.6Very high52 Ų5255.9 Ų55.920%0.20428%0.278CS..EExtended strand (participates in β ladder)trans-129.8120.4171.4176-126.4000109.9K9 N10 F62 Y77 A82 I83 L84K9-Y75 HydrophobicContact CB-CD1 3.5Å; K9-Y75 HydrophobicContact CB-CE1 3.8Å; K9-Y75 HydrophobicContact CB-CG 4.39Å; K9-Y75 HydrophobicContact CG-CD1 4.16Å; K9-Y75 HydrophobicContact CG-CE1 4Å; K9-Y75 PolarHBondContact N-O 2.86Å; N10-Y75 PolarHBondContact N-O 3.15Å; N10-Y75 VanDerWaalsContact N-O 3.13Å; N10-Y75 PolarHBondContact O-N 2.8Å; F62-Y75 HydrophobicContact CE2-CE2 4.44Å; F62-Y75 HydrophobicContact CZ-CE2 4.02Å; Y75-Y77 HydrophobicContact CE1-CE2 4.24Å; Y75-Y77 HydrophobicContact CE2-CE2 4.38Å; Y75-Y77 AromaticContact CZ-CE2 3.71Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.36Å; Y75-Y77 PolarHBondContact OH-OH 3.01Å; Y75-Y77 VanDerWaalsContact OH-OH 3.05Å; Y75-A82 HydrophobicContact CE2-CB 3.73Å; Y75-I83 WeakPolarHBondContact CA-O 3.13Å; Y75-I83 WeakPolarHBondContact CD2-O 3.25Å; Y75-L84 HydrophobicContact CD2-CB 4Å
76F98.6Very high97.7Very high1 Ų145.6 Ų45.60%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-149.8164.1-175.667.1-79000112.3V7 I8 A21 V22 A25 I74 L78 A82 I83V7-F76 CarbonylContact O-C 3.55Å; V7-F76 VanDerWaalsContact O-CA 3.28Å; V7-F76 WeakPolarHBondContact O-CA 3.36Å; V7-F76 WeakPolarHBondContact O-CB 3.28Å; I8-F76 HydrophobicContact CB-CB 4.43Å; I8-F76 HydrophobicContact CG1-CB 4.18Å; A21-F76 HydrophobicContact CB-CE1 4.34Å; V22-F76 HydrophobicContact CG2-CD2 4.13Å; V22-F76 HydrophobicContact CG2-CE2 3.97Å; V22-F76 HydrophobicContact CG2-CZ 4.38Å; A25-F76 HydrophobicContact CB-CE2 3.98Å; A25-F76 HydrophobicContact CB-CZ 3.64Å; I74-F76 HydrophobicContact CD1-CD1 3.81Å; I74-F76 HydrophobicContact CD1-CE1 4.19Å; I74-F76 HydrophobicContact CG1-CD1 3.85Å; I74-F76 HydrophobicContact CG1-CE1 4.48Å; I74-F76 HydrophobicContact CG2-CD1 4.29Å; I74-F76 HydrophobicContact CG2-CE1 4.2Å; F76-L78 HydrophobicContact CD2-CG 4.12Å; F76-L78 HydrophobicContact CE2-CD1 3.83Å; F76-L78 HydrophobicContact CE2-CG 3.82Å; F76-A82 WeakPolarHBondContact O-CA 3.45Å; F76-I83 HydrophobicContact CD1-CB 4.25Å; F76-I83 HydrophobicContact CD2-CD1 4.33Å; F76-I83 HydrophobicContact CE1-CB 3.84Å; F76-I83 HydrophobicContact CE1-CG2 3.78Å; F76-I83 HydrophobicContact CE2-CB 4.27Å; F76-I83 HydrophobicContact CE2-CD1 3.96Å; F76-I83 HydrophobicContact CE2-CG1 4.47Å; F76-I83 HydrophobicContact CZ-CB 3.86Å; F76-I83 HydrophobicContact CZ-CD1 4.33Å; F76-I83 HydrophobicContact CZ-CG1 4.35Å; F76-I83 HydrophobicContact CZ-CG2 3.91Å; F76-I83 PolarHBondContact N-O 2.77Å; F76-I83 PolarHBondContact O-N 2.82Å
77Y98.1Very high97.8Very high65 Ų6544.2 Ų44.226%0.25523%0.229SC..EExtended strand (participates in β ladder)trans-110.4139.9173.1-79.7-99.3000111.1P6 V7 K9 Y75 V81 A82P6-Y77 WeakPolarHBondContact CA-O 3.28Å; V7-Y77 PolarHBondContact N-O 3.31Å; V7-Y77 PolarHBondContact O-N 2.87Å; K9-Y77 HydrophobicContact CG-CD2 3.84Å; K9-Y77 HydrophobicContact CG-CE2 4.09Å; Y75-Y77 HydrophobicContact CE1-CE2 4.24Å; Y75-Y77 HydrophobicContact CE2-CE2 4.38Å; Y75-Y77 AromaticContact CZ-CE2 3.71Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.36Å; Y75-Y77 PolarHBondContact OH-OH 3.01Å; Y75-Y77 VanDerWaalsContact OH-OH 3.05Å; Y77-V81 WeakPolarHBondContact CA-O 3.47Å; Y77-A82 HydrophobicContact CD1-CB 3.87Å; Y77-A82 HydrophobicContact CD2-CB 4.28Å; Y77-A82 HydrophobicContact CE1-CB 3.43Å; Y77-A82 VanDerWaalsContact CE1-CB 3.43Å; Y77-A82 HydrophobicContact CE2-CB 3.9Å; Y77-A82 HydrophobicContact CG-CB 4.27Å; Y77-A82 VanDerWaalsContact CZ-CB 3.46Å
78L96.3Very high97.8Very high2 Ų241 Ų411%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-116.699.4162-75.1173.5000108.5R4 P6 A25 L29 F76 Q80 V81 I83R4-L78 HydrophobicContact CB-CD2 4.46Å; R4-L78 VanDerWaalsContact O-CD2 3.27Å; R4-L78 WeakPolarHBondContact O-CD2 3.47Å; P6-L78 HydrophobicContact CB-CD2 3.89Å; A25-L78 HydrophobicContact CB-CD1 3.73Å; L29-L78 HydrophobicContact CD1-CB 3.78Å; L29-L78 HydrophobicContact CD1-CD1 3.63Å; L29-L78 HydrophobicContact CD1-CG 4.36Å; F76-L78 HydrophobicContact CD2-CG 4.12Å; F76-L78 HydrophobicContact CE2-CD1 3.83Å; F76-L78 HydrophobicContact CE2-CG 3.82Å; L78-Q80 PolarHBondContact O-N 3.06Å; L78-V81 PolarHBondContact N-O 2.83Å; L78-V81 PolarHBondContact O-N 3.32Å; L78-I83 HydrophobicContact CB-CD1 4.1Å; L78-I83 HydrophobicContact CD1-CD1 4.21Å; L78-I83 HydrophobicContact CG-CD1 4.22Å
79G93.6Very high97.4Very high47 Ų4743.4 Ų43.449%0.48525%0.253SS..THydrogen-bonded Turntrans64.4-120.6-16900000111.2
80Q93.5Very high97.4Very high144 Ų14442.5 Ų42.567%0.67325%0.251SS*.THydrogen-bonded Turntrans-95.20.2-179.5-63.8-177.2-5.500113.8L78L78-Q80 PolarHBondContact O-N 3.06Å
81V96.5Very high97.4Very high16 Ų1639 Ų3910%0.09723%0.23CC..EExtended strand (participates in β ladder)trans-100.8123.9-178.3-177.90000108.3L29 V58 R60 Y77 L78 I83L29-V81 HydrophobicContact CD2-CG1 4.47Å; L29-V81 HydrophobicContact CD2-CG2 4.47Å; V58-V81 HydrophobicContact CG1-CG1 3.42Å; V58-V81 VanDerWaalsContact CG1-CG1 3.42Å; R60-V81 HydrophobicContact CG-CG2 4.41Å; Y77-V81 WeakPolarHBondContact CA-O 3.47Å; L78-V81 PolarHBondContact N-O 2.83Å; L78-V81 PolarHBondContact O-N 3.32Å; V81-I83 HydrophobicContact CG1-CD1 4.34Å
82A98.3Very high97.3Very high1 Ų133.2 Ų33.21%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-88.5140.3171.200000109.7V58 G59 F62 Y75 F76 Y77V58-A82 WeakPolarHBondContact CA-O 3.16Å; G59-A82 PolarHBondContact N-O 3.18Å; G59-A82 WeakPolarHBondContact O-CB 3.48Å; G59-A82 PolarHBondContact O-N 3.35Å; F62-A82 HydrophobicContact CE1-CB 3.64Å; F62-A82 HydrophobicContact CZ-CB 3.98Å; Y75-A82 HydrophobicContact CE2-CB 3.73Å; F76-A82 WeakPolarHBondContact O-CA 3.45Å; Y77-A82 HydrophobicContact CD1-CB 3.87Å; Y77-A82 HydrophobicContact CD2-CB 4.28Å; Y77-A82 HydrophobicContact CE1-CB 3.43Å; Y77-A82 VanDerWaalsContact CE1-CB 3.43Å; Y77-A82 HydrophobicContact CE2-CB 3.9Å; Y77-A82 HydrophobicContact CG-CB 4.27Å; Y77-A82 VanDerWaalsContact CZ-CB 3.46Å
83I98.8Very high97.3Very high0 Ų032.4 Ų32.40%021%0.207CC..EExtended strand (participates in β ladder)trans-124.8122.7176-58.593.9000107.4A25 I42 I57 V58 Y75 F76 L78 V81A25-I83 HydrophobicContact CB-CG1 4.4Å; I42-I83 HydrophobicContact CD1-CG2 4.11Å; I57-I83 WeakPolarHBondContact O-CA 3.49Å; V58-I83 HydrophobicContact CG2-CG1 4.2Å; V58-I83 HydrophobicContact CG2-CG2 4.37Å; Y75-I83 WeakPolarHBondContact CA-O 3.13Å; Y75-I83 WeakPolarHBondContact CD2-O 3.25Å; F76-I83 HydrophobicContact CD1-CB 4.25Å; F76-I83 HydrophobicContact CD2-CD1 4.33Å; F76-I83 HydrophobicContact CE1-CB 3.84Å; F76-I83 HydrophobicContact CE1-CG2 3.78Å; F76-I83 HydrophobicContact CE2-CB 4.27Å; F76-I83 HydrophobicContact CE2-CD1 3.96Å; F76-I83 HydrophobicContact CE2-CG1 4.47Å; F76-I83 HydrophobicContact CZ-CB 3.86Å; F76-I83 HydrophobicContact CZ-CD1 4.33Å; F76-I83 HydrophobicContact CZ-CG1 4.35Å; F76-I83 HydrophobicContact CZ-CG2 3.91Å; F76-I83 PolarHBondContact N-O 2.77Å; F76-I83 PolarHBondContact O-N 2.82Å; L78-I83 HydrophobicContact CB-CD1 4.1Å; L78-I83 HydrophobicContact CD1-CD1 4.21Å; L78-I83 HydrophobicContact CG-CD1 4.22Å; V81-I83 HydrophobicContact CG1-CD1 4.34Å
84L98.8Very high97.2Very high0 Ų032.9 Ų32.90%021%0.214CC..EExtended strand (participates in β ladder)trans-114.9119.5171.6167.461.8000107.9C56 I57 F62 S64 F73 Y75 F86C56-L84 CarbonylContact C-O 2.86Å; C56-L84 WeakPolarHBondContact CA-O 2.96Å; I57-L84 HydrophobicContact CB-CB 4.28Å; I57-L84 HydrophobicContact CD1-CD2 3.98Å; I57-L84 PolarHBondContact N-O 2.76Å; I57-L84 PolarHBondContact O-N 2.83Å; F62-L84 HydrophobicContact CE2-CB 4.12Å; F62-L84 HydrophobicContact CE2-CD2 4.25Å; F62-L84 HydrophobicContact CZ-CB 4.06Å; S64-L84 WeakPolarHBondContact OG-CD2 3.18Å; F73-L84 HydrophobicContact CD2-CD1 4.2Å; F73-L84 HydrophobicContact CE2-CD1 3.41Å; F73-L84 VanDerWaalsContact CE2-CD1 3.41Å; F73-L84 HydrophobicContact CZ-CD1 3.62Å; Y75-L84 HydrophobicContact CD2-CB 4Å; L84-F86 HydrophobicContact CD1-CD1 4.22Å; L84-F86 HydrophobicContact CD2-CD1 4.49Å; L84-F86 HydrophobicContact CD2-CE1 4.46Å; L84-F86 HydrophobicContact CG-CD1 4.04Å; L84-F86 HydrophobicContact CG-CE1 4.4Å
85L98.9Very high97Very high0 Ų035.1 Ų35.10%023%0.228CC..EExtended strand (participates in β ladder)trans-129.6124.9-178176.266.7000108.8A21 I42 F46 W54 H55 C56 I74A21-L85 HydrophobicContact CB-CD2 4.09Å; I42-L85 HydrophobicContact CG2-CD1 4Å; I42-L85 HydrophobicContact CG2-CD2 3.82Å; I42-L85 HydrophobicContact CG2-CG 4.46Å; F46-L85 HydrophobicContact CD1-CD2 3.66Å; F46-L85 HydrophobicContact CD1-CG 4.43Å; F46-L85 HydrophobicContact CD2-CD2 3.85Å; F46-L85 HydrophobicContact CE1-CD2 3.62Å; F46-L85 HydrophobicContact CE2-CD2 3.82Å; F46-L85 HydrophobicContact CG-CD1 4.45Å; F46-L85 HydrophobicContact CG-CD2 3.79Å; F46-L85 HydrophobicContact CZ-CD2 3.72Å; W54-L85 HydrophobicContact CB-CD1 4.46Å; W54-L85 HydrophobicContact CE3-CD1 3.75Å; W54-L85 HydrophobicContact CE3-CD2 4.41Å; W54-L85 HydrophobicContact CE3-CG 3.75Å; W54-L85 HydrophobicContact CZ3-CD1 4.44Å; W54-L85 HydrophobicContact CZ3-CD2 4.39Å; W54-L85 HydrophobicContact CZ3-CG 3.94Å; H55-L85 WeakPolarHBondContact O-CA 3.41Å; H55-L85 WeakPolarHBondContact O-CD1 3.43Å; C56-L85 HydrophobicContact CB-CD1 3.94Å; I74-L85 HydrophobicContact CG2-CB 3.86Å; I74-L85 HydrophobicContact CG2-CD2 4.28Å; I74-L85 HydrophobicContact CG2-CG 4.44Å; I74-L85 PolarHBondContact N-O 2.95Å; I74-L85 PolarHBondContact O-N 2.95Å
86F98.8Very high96.9Very high17 Ų1733.9 Ų33.98%0.07523%0.23CC..EExtended strand (participates in β ladder)trans-151.4156.3-178.867.5-82.2000112.3W54 H55 V66 H68 H72 F73 L84W54-F86 CarbonylContact C-O 3.47Å; W54-F86 WeakPolarHBondContact CA-O 3.33Å; H55-F86 HydrophobicContact CB-CD1 4.14Å; H55-F86 HydrophobicContact CB-CD2 4.32Å; H55-F86 HydrophobicContact CB-CE1 3.66Å; H55-F86 HydrophobicContact CB-CE2 3.87Å; H55-F86 HydrophobicContact CB-CG 4.45Å; H55-F86 HydrophobicContact CB-CZ 3.51Å; H55-F86 AromaticContact CD2-CE2 3.83Å; H55-F86 AromaticContact CG-CE2 3.99Å; H55-F86 AromaticContact CG-CZ 3.97Å; H55-F86 PolarHBondContact N-O 2.63Å; H55-F86 PolarHBondContact O-N 2.78Å; V66-F86 HydrophobicContact CB-CE1 4.26Å; V66-F86 HydrophobicContact CB-CE2 4.06Å; V66-F86 HydrophobicContact CB-CZ 3.86Å; V66-F86 HydrophobicContact CG1-CE1 4.04Å; V66-F86 HydrophobicContact CG1-CE2 4.45Å; V66-F86 HydrophobicContact CG1-CZ 3.78Å; V66-F86 HydrophobicContact CG2-CD1 4.16Å; V66-F86 HydrophobicContact CG2-CD2 4.35Å; V66-F86 HydrophobicContact CG2-CE1 4.05Å; V66-F86 HydrophobicContact CG2-CE2 4.25Å; V66-F86 HydrophobicContact CG2-CG 4.31Å; V66-F86 HydrophobicContact CG2-CZ 4.1Å; H68-F86 HydrophobicContact CB-CB 3.93Å; H68-F86 HydrophobicContact CB-CD2 3.92Å; H68-F86 HydrophobicContact CB-CG 4.32Å; H72-F86 CarbonylContact O-C 3.55Å; H72-F86 WeakPolarHBondContact O-CA 3.43Å; F73-F86 HydrophobicContact CB-CB 4.34Å; F73-F86 HydrophobicContact CD2-CB 3.68Å; F73-F86 HydrophobicContact CD2-CG 4.48Å; F73-F86 HydrophobicContact CE2-CB 4.48Å; F73-F86 HydrophobicContact CG-CB 4.4Å; L84-F86 HydrophobicContact CD1-CD1 4.22Å; L84-F86 HydrophobicContact CD2-CD1 4.49Å; L84-F86 HydrophobicContact CD2-CE1 4.46Å; L84-F86 HydrophobicContact CG-CD1 4.04Å; L84-F86 HydrophobicContact CG-CE1 4.4Å
87K98.7Very high96.8Very high18 Ų1836.5 Ų36.58%0.07825%0.247CC..EExtended strand (participates in β ladder)trans-101.4136.7174.8-164-175.5168.5124.10110.9Y50 N51 P52 T53 W54 H68 E69 H72Y50-K87 PolarHBondContact O-NZ 3.03Å; N51-K87 PolarHBondContact O-NZ 2.83Å; P52-K87 VanDerWaalsContact O-CE 3.28Å; P52-K87 WeakPolarHBondContact O-CE 3.43Å; P52-K87 PolarHBondContact O-NZ 3.38Å; T53-K87 WeakPolarHBondContact O-CA 3.22Å; T53-K87 WeakPolarHBondContact O-CG 3.4Å; W54-K87 HydrophobicContact CD2-CB 4.08Å; W54-K87 HydrophobicContact CD2-CG 4.43Å; W54-K87 HydrophobicContact CE3-CB 4.16Å; W54-K87 HydrophobicContact CH2-CB 4.5Å; W54-K87 HydrophobicContact CZ2-CB 4.41Å; W54-K87 HydrophobicContact CZ3-CB 4.37Å; H68-K87 CarbonylContact C-O 3.57Å; H68-K87 VanDerWaalsContact CA-O 3.28Å; H68-K87 WeakPolarHBondContact CA-O 3.32Å; H68-K87 WeakPolarHBondContact CB-O 3.46Å; E69-K87 HydrophobicContact CB-CB 4.49Å; E69-K87 PolarHBondContact N-O 3.4Å; E69-K87 WeakPolarHBondContact OE1-CG 3.42Å; E69-K87 VanDerWaalsContact OE2-CD 3.25Å; E69-K87 WeakPolarHBondContact OE2-CD 3.3Å; E69-K87 WeakPolarHBondContact OE2-CE 3.28Å; H72-K87 HydrophobicContact CB-CB 3.43Å; H72-K87 VanDerWaalsContact CB-CB 3.43Å; H72-K87 HydrophobicContact CB-CD 4.26Å; H72-K87 HydrophobicContact CB-CG 4.49Å; H72-K87 PolarHBondContact O-N 3.38Å
88S97.2Very high96.7Very high48 Ų4834.1 Ų34.134%0.33625%0.246SC..  trans-160.1117.4174.1179.40000109.1T53 H55T53-S88 PolarHBondContact O-N 3.13Å; H55-S88 PolarHBondContact NE2-O 2.81Å
89G90.9Very high96.7Very high116 Ų11637 Ų37100%1.19627%0.268SS*.  trans178.80174.200000113.3E69E69-G89 PolarHBondContact OE1-N 2.98Å; E69-G89 VanDerWaalsContact OE1-N 3.15Å

Retrieved 89 of 89 residues in 195.5 ms (Link to these results)

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