DYL2_SCHMA Loading...

Probable dynein light chain

Acts as a non-catalytic accessory component of a dynein complex.

AlphaFold DB , UniProt , Accession Q94748, Species SCHMA (Schistosoma mansoni, Blood fluke), 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
1M45.9Very low84.2Confident238 Ų238107.9 Ų107.9100%1.17257%0.569SS**  0117.70-74.4170.8171.100106.4E3M1-E3 PolarHBondContact O-N 3.43Å
2G59.1Low85.4Confident74 Ų74103.8 Ų103.876%0.76355%0.547SS*.  trans-61133.5-178.600000110.3R4G2-R4 PolarHBondContact O-N 3.36Å
3E65.5Low86.3Confident194 Ų19497 Ų9791%0.90751%0.511SS*.  trans-55.5111.8176.3-73.4178.4172.800109.3M1 K5M1-E3 PolarHBondContact O-N 3.43Å; E3-K5 PolarHBondContact O-N 3.02Å
4R81.9Confident87.1Confident85 Ų8597.7 Ų97.732%0.32151%0.51SS..  trans-74.895.4172.8-65.1-175.8-179.9128.56.2107.7G2 A6 A26 D30 L78 Q79G2-R4 PolarHBondContact O-N 3.36Å; R4-A6 PolarHBondContact O-N 3.02Å; R4-A26 PolarHBondContact NH1-O 3.2Å; R4-D30 IonicContact CZ-OD1 3.71Å; R4-D30 IonicContact NH1-OD1 3.84Å; R4-D30 PolarHBondContact NH1-OD1 2.89Å; R4-D30 IonicContact NH1-OD2 3.66Å; R4-D30 PolarHBondContact NH1-OD2 3.49Å; R4-D30 IonicContact NH2-OD1 3.23Å; R4-D30 PolarHBondContact NH2-OD1 3.43Å; R4-L78 HydrophobicContact CB-CD1 3.69Å; R4-L78 HydrophobicContact CB-CG 4.35Å; R4-Q79 HydrophobicContact CG-CG 4.42Å
5K90.4Very high87.8Confident175 Ų175101.5 Ų101.576%0.76152%0.524SS*.  trans-73.3118175.4-173.2173.2-178.1175.70110.1E3E3-K5 PolarHBondContact O-N 3.02Å
6A96Very high88.4Confident27 Ų27101.4 Ų101.422%0.22353%0.525CS..EExtended strand (participates in β ladder)trans-77.8144.3169.300000110.8R4 V22 F76 Y77 L78R4-A6 PolarHBondContact O-N 3.02Å; A6-V22 HydrophobicContact CB-CB 4.3Å; A6-V22 HydrophobicContact CB-CG1 3.54Å; A6-V22 HydrophobicContact CB-CG2 3.7Å; A6-F76 HydrophobicContact CB-CD2 4.39Å; A6-Y77 CarbonylContact C-O 3.55Å; A6-Y77 WeakPolarHBondContact CA-O 3.46Å; A6-L78 HydrophobicContact CB-CD1 4.06Å
7V97.1Very high89Confident64 Ų6496.5 Ų96.539%0.38850%0.499SS..EExtended strand (participates in β ladder)trans-120.299.8172.3-178.90000108.1K9 F76 Y77V7-K9 HydrophobicContact CG1-CD 4.25Å; V7-K9 PolarHBondContact O-N 3.41Å; V7-F76 CarbonylContact O-C 3.37Å; V7-F76 VanDerWaalsContact O-CA 3.32Å; V7-F76 WeakPolarHBondContact O-CA 3.28Å; V7-Y77 PolarHBondContact N-O 2.85Å; V7-Y77 PolarHBondContact O-N 3.07Å
8I97.7Very high89.5Confident73 Ų7393.2 Ų93.237%0.37448%0.481SS..EExtended strand (participates in β ladder)trans-72.4127.1176.2-55.4178.9000108.4A11 Q18 I74 F76I8-A11 HydrophobicContact CG2-CB 4.11Å; I8-Q18 HydrophobicContact CD1-CB 4.24Å; I8-Q18 VanDerWaalsContact CD1-OE1 3.3Å; I8-I74 HydrophobicContact CD1-CD1 4.41Å; I8-I74 HydrophobicContact CG2-CG1 4.4Å; I8-F76 HydrophobicContact CB-CB 4.4Å; I8-F76 HydrophobicContact CG1-CB 4.13Å
9K97.4Very high89.9Confident127 Ų12794.6 Ų94.655%0.55249%0.485SS*.EExtended strand (participates in β ladder)trans-103.2-37.1-178.8-67.4-61.3-174.3-179.30111.7V7 Y75 Y77V7-K9 HydrophobicContact CG1-CD 4.25Å; V7-K9 PolarHBondContact O-N 3.41Å; K9-Y75 HydrophobicContact CB-CD1 3.5Å; K9-Y75 HydrophobicContact CB-CE1 3.83Å; K9-Y75 HydrophobicContact CB-CG 4.43Å; K9-Y75 HydrophobicContact CG-CD1 4.22Å; K9-Y75 HydrophobicContact CG-CE1 4.09Å; K9-Y75 PolarHBondContact N-O 3.01Å; K9-Y77 HydrophobicContact CG-CD2 3.79Å; K9-Y77 HydrophobicContact CG-CE2 4.05Å
10N97.6Very high90.3Very high96 Ų9691.2 Ų91.251%0.51347%0.469SS..EExtended strand (participates in β ladder)trans-154.8145.4174.5-167.612000109.4F73 Y75N10-F73 HydrophobicContact CB-CE1 4.12Å; N10-Y75 PolarHBondContact N-O 2.84Å; N10-Y75 VanDerWaalsContact N-O 3.1Å; N10-Y75 PolarHBondContact O-N 3.23Å
11A98.1Very high90.7Very high34 Ų3486.8 Ų86.828%0.28145%0.446SS..EExtended strand (participates in β ladder)trans-153.9137.3176.400000110.1I8 Q18 F73 I74I8-A11 HydrophobicContact CG2-CB 4.11Å; A11-Q18 HydrophobicContact CB-CG 4.28Å; A11-F73 CarbonylContact C-O 3.56Å; A11-F73 WeakPolarHBondContact CA-O 3.39Å; A11-I74 HydrophobicContact CB-CB 4.5Å; A11-I74 HydrophobicContact CB-CG1 4.08Å
12D98.3Very high93.2Very high58 Ų5876.7 Ų76.731%0.3140%0.398SS..EExtended strand (participates in β ladder)trans-125.482161.7175.328.8000106.3H68 Q71 H72 F73D12-H68 IonicContact OD2-NE2 2.63Å; D12-Q71 VanDerWaalsContact CG-N 3.33Å; D12-Q71 CarbonylContact O-C 3.45Å; D12-Q71 WeakPolarHBondContact O-CA 3.34Å; D12-Q71 PolarHBondContact OD1-N 3.01Å; D12-Q71 PolarHBondContact OD2-N 3.37Å; D12-H72 PolarHBondContact O-N 3.04Å; D12-F73 CarbonylContact C-O 3.57Å; D12-F73 HydrophobicContact CB-CB 4.31Å; D12-F73 PolarHBondContact N-O 2.82Å; D12-F73 PolarHBondContact O-N 3.31Å
13M97.6Very high95Very high16 Ų1679.5 Ų79.58%0.07939%0.391CS..SBendtrans-171.6162.3174.755.9171.35600109.8M17 Q18 W54 Q71 I74M13-M17 HydrophobicContact CB-CB 4.4Å; M13-M17 HydrophobicContact CB-SD 4.04Å; M13-M17 HydrophobicContact CE-CG 4.18Å; M13-M17 HydrophobicContact CE-SD 3.86Å; M13-M17 HydrophobicContact SD-CB 4.03Å; M13-M17 HydrophobicContact SD-CG 3.75Å; M13-M17 HydrophobicContact SD-SD 4.1Å; M13-Q18 HydrophobicContact CG-CG 3.52Å; M13-Q18 PolarHBondContact O-NE2 3.44Å; M13-Q18 HydrophobicContact SD-CB 4.49Å; M13-Q18 HydrophobicContact SD-CG 3.83Å; M13-W54 HydrophobicContact CE-CH2 4.03Å; M13-W54 HydrophobicContact CE-CZ3 4.07Å; M13-Q71 WeakPolarHBondContact CA-O 3.31Å; M13-Q71 VanDerWaalsContact CB-O 3.23Å; M13-Q71 WeakPolarHBondContact CB-O 3.36Å; M13-I74 HydrophobicContact CE-CB 3.86Å; M13-I74 HydrophobicContact CE-CG2 3.77Å; M13-I74 HydrophobicContact CG-CB 4.43Å; M13-I74 HydrophobicContact SD-CB 3.75Å; M13-I74 HydrophobicContact SD-CD1 4.29Å; M13-I74 HydrophobicContact SD-CG1 4.49Å; M13-I74 HydrophobicContact SD-CG2 3.92Å
14H97.2Very high96.6Very high107 Ų10771.1 Ų71.150%0.49535%0.353SS..  trans-65150.4177.1-67-78.4000113D16 M17 Q18H14-D16 VanDerWaalsContact C-N 3.31Å; H14-D16 WeakPolarHBondContact CB-OD1 3.44Å; H14-D16 PolarHBondContact O-N 3.08Å; H14-M17 WeakPolarHBondContact O-CA 3.01Å; H14-M17 WeakPolarHBondContact O-CB 3.48Å; H14-M17 PolarHBondContact O-N 3.5Å; H14-Q18 WeakPolarHBondContact O-CG 3.4Å; H14-Q18 PolarHBondContact O-N 3.32Å
15E97.4Very high97.4Very high154 Ų15467 Ų6772%0.7234%0.338SS*.Hα-helixtrans-58.1-38.7-174.9-66.4-176.2165.800113.1M17 Q18 E19E15-M17 VanDerWaalsContact C-N 3.31Å; E15-M17 PolarHBondContact O-N 3.27Å; E15-Q18 WeakPolarHBondContact O-CB 3.44Å; E15-Q18 PolarHBondContact O-N 3.45Å; E15-Q18 VanDerWaalsContact O-N 3.11Å; E15-E19 WeakPolarHBondContact O-CG 3.5Å; E15-E19 PolarHBondContact O-N 2.89Å
16D97.7Very high97.7Very high100 Ų10059.7 Ų59.754%0.53531%0.309SS..Hα-helixtrans-62.6-36175.766-34.8000112.8H14 T20H14-D16 VanDerWaalsContact C-N 3.31Å; H14-D16 WeakPolarHBondContact CB-OD1 3.44Å; H14-D16 PolarHBondContact O-N 3.08Å; D16-T20 WeakPolarHBondContact O-CB 3.45Å; D16-T20 PolarHBondContact O-N 3Å; D16-T20 PolarHBondContact O-OG1 2.88Å
17M98.3Very high97.7Very high19 Ų1959.9 Ų59.99%0.09431%0.311CS..Hα-helixtrans-71.6-37.1173.3-167.3178.6-68.200111.3M13 H14 E15 T20 A21 F46 Y50 W54M13-M17 HydrophobicContact CB-CB 4.4Å; M13-M17 HydrophobicContact CB-SD 4.04Å; M13-M17 HydrophobicContact CE-CG 4.18Å; M13-M17 HydrophobicContact CE-SD 3.86Å; M13-M17 HydrophobicContact SD-CB 4.03Å; M13-M17 HydrophobicContact SD-CG 3.75Å; M13-M17 HydrophobicContact SD-SD 4.1Å; H14-M17 WeakPolarHBondContact O-CA 3.01Å; H14-M17 WeakPolarHBondContact O-CB 3.48Å; H14-M17 PolarHBondContact O-N 3.5Å; E15-M17 VanDerWaalsContact C-N 3.31Å; E15-M17 PolarHBondContact O-N 3.27Å; M17-T20 WeakPolarHBondContact O-CB 3.4Å; M17-T20 PolarHBondContact O-N 2.65Å; M17-A21 PolarHBondContact O-N 3.23Å; M17-F46 HydrophobicContact CG-CE1 4.06Å; M17-Y50 HydrophobicContact CE-CD1 3.71Å; M17-Y50 HydrophobicContact CE-CD2 4.44Å; M17-Y50 HydrophobicContact CE-CE1 3.78Å; M17-Y50 HydrophobicContact CE-CE2 4.47Å; M17-Y50 HydrophobicContact CE-CG 4.05Å; M17-Y50 HydrophobicContact CG-CE2 3.98Å; M17-W54 HydrophobicContact SD-CH2 3.73Å; M17-W54 HydrophobicContact SD-CZ2 4.14Å
18Q98.3Very high97.7Very high36 Ų3656.8 Ų56.817%0.16829%0.292CS..Hα-helixtrans-63.3-46.2174.4-59.9179.13700111.3I8 A11 M13 H14 E15 T20 A21 V22 I74I8-Q18 HydrophobicContact CD1-CB 4.24Å; I8-Q18 VanDerWaalsContact CD1-OE1 3.3Å; A11-Q18 HydrophobicContact CB-CG 4.28Å; M13-Q18 HydrophobicContact CG-CG 3.52Å; M13-Q18 PolarHBondContact O-NE2 3.44Å; M13-Q18 HydrophobicContact SD-CB 4.49Å; M13-Q18 HydrophobicContact SD-CG 3.83Å; H14-Q18 WeakPolarHBondContact O-CG 3.4Å; H14-Q18 PolarHBondContact O-N 3.32Å; E15-Q18 WeakPolarHBondContact O-CB 3.44Å; E15-Q18 PolarHBondContact O-N 3.45Å; E15-Q18 VanDerWaalsContact O-N 3.11Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 2.8Å; Q18-A21 WeakPolarHBondContact O-CB 3.39Å; Q18-A21 PolarHBondContact O-N 3.35Å; Q18-A21 VanDerWaalsContact O-N 3.11Å; Q18-V22 PolarHBondContact O-N 2.95Å; Q18-I74 HydrophobicContact CB-CD1 3.87Å; Q18-I74 HydrophobicContact CG-CD1 3.96Å
19E97.6Very high97.7Very high120 Ų12054.3 Ų54.356%0.56128%0.28SS*.Hα-helixtrans-58.5-45.5174.1-72.6-179.8179.200111E15 A21 V22 H23E15-E19 WeakPolarHBondContact O-CG 3.5Å; E15-E19 PolarHBondContact O-N 2.89Å; E19-A21 VanDerWaalsContact C-N 3.29Å; E19-A21 PolarHBondContact O-N 3.49Å; E19-V22 PolarHBondContact O-N 3.36Å; E19-H23 WeakPolarHBondContact O-CB 3.41Å; E19-H23 PolarHBondContact O-CD2 3.11Å; E19-H23 PolarHBondContact O-N 2.88Å
20T97.9Very high97.6Very high26 Ų2653.2 Ų53.216%0.1628%0.28CS..Hα-helixtrans-57-43.2174.5-61.10000111.4D16 M17 Q18 H23 T24 F46 K49 Y50D16-T20 WeakPolarHBondContact O-CB 3.45Å; D16-T20 PolarHBondContact O-N 3Å; D16-T20 PolarHBondContact O-OG1 2.88Å; M17-T20 WeakPolarHBondContact O-CB 3.4Å; M17-T20 PolarHBondContact O-N 2.65Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 2.8Å; T20-H23 PolarHBondContact O-N 3.11Å; T20-T24 VanDerWaalsContact O-CB 3.24Å; T20-T24 WeakPolarHBondContact O-CB 3.44Å; T20-T24 PolarHBondContact O-N 2.99Å; T20-T24 PolarHBondContact O-OG1 2.92Å; T20-F46 HydrophobicContact CG2-CE2 4.11Å; T20-F46 HydrophobicContact CG2-CZ 4.06Å; T20-K49 HydrophobicContact CG2-CD 4.09Å; T20-K49 PolarHBondContact OG1-NZ 3.46Å; T20-K49 VanDerWaalsContact OG1-NZ 3.08Å; T20-Y50 WeakPolarHBondContact CB-OH 3.48Å; T20-Y50 HydrophobicContact CG2-CE2 4.07Å; T20-Y50 WeakPolarHBondContact CG2-OH 3.49Å; T20-Y50 PolarHBondContact OG1-OH 3.3Å; T20-Y50 VanDerWaalsContact OG1-OH 3.12Å
21A98.5Very high97.5Very high0 Ų054.5 Ų54.50%028%0.281CS..Hα-helixtrans-62.4-46.6179.600000111.5M17 Q18 E19 T24 A25 F46 I74 F76 L85M17-A21 PolarHBondContact O-N 3.23Å; Q18-A21 WeakPolarHBondContact O-CB 3.39Å; Q18-A21 PolarHBondContact O-N 3.35Å; Q18-A21 VanDerWaalsContact O-N 3.11Å; E19-A21 VanDerWaalsContact C-N 3.29Å; E19-A21 PolarHBondContact O-N 3.49Å; A21-T24 PolarHBondContact O-N 3.35Å; A21-A25 WeakPolarHBondContact O-CB 3.44Å; A21-A25 PolarHBondContact O-N 3.27Å; A21-F46 VanDerWaalsContact CA-CZ 3.48Å; A21-F46 HydrophobicContact CB-CE1 4.43Å; A21-F46 HydrophobicContact CB-CE2 4.25Å; A21-F46 HydrophobicContact CB-CZ 3.61Å; A21-I74 HydrophobicContact CB-CD1 4.15Å; A21-I74 HydrophobicContact CB-CG2 4.01Å; A21-F76 HydrophobicContact CB-CE1 4.27Å; A21-L85 HydrophobicContact CB-CD2 3.99Å
22V97.9Very high97.5Very high26 Ų2657.2 Ų57.216%0.15828%0.284CS..Hα-helixtrans-63.4-47.1178.2170.30000111.4A6 Q18 E19 T24 A25 A26 F76A6-V22 HydrophobicContact CB-CB 4.3Å; A6-V22 HydrophobicContact CB-CG1 3.54Å; A6-V22 HydrophobicContact CB-CG2 3.7Å; Q18-V22 PolarHBondContact O-N 2.95Å; E19-V22 PolarHBondContact O-N 3.36Å; V22-T24 PolarHBondContact O-N 2.88Å; V22-A25 PolarHBondContact O-N 3.05Å; V22-A26 WeakPolarHBondContact O-CB 3.32Å; V22-A26 PolarHBondContact O-N 3.43Å; V22-F76 HydrophobicContact CG2-CD2 4.16Å; V22-F76 HydrophobicContact CG2-CE2 4.1Å; V22-F76 HydrophobicContact CG2-CZ 4.41Å
23H97.3Very high97.3Very high132 Ų13262.8 Ų62.861%0.61131%0.309SS*.Hα-helixtrans-64.4-40.4178.4-75.5-59.9000112.3E19 T20 A26 A27E19-H23 WeakPolarHBondContact O-CB 3.41Å; E19-H23 PolarHBondContact O-CD2 3.11Å; E19-H23 PolarHBondContact O-N 2.88Å; T20-H23 PolarHBondContact O-N 3.11Å; H23-A26 PolarHBondContact O-N 3.01Å; H23-A27 WeakPolarHBondContact O-CB 3.3Å; H23-A27 PolarHBondContact O-N 3.48Å
24T98.1Very high97.3Very high18 Ų1867 Ų6711%0.1133%0.33CS..Hα-helixtrans-65.1-41.8177.2-54.90000110.8T20 A21 V22 A27 A28 Y41 I42 E45 F46T20-T24 VanDerWaalsContact O-CB 3.24Å; T20-T24 WeakPolarHBondContact O-CB 3.44Å; T20-T24 PolarHBondContact O-N 2.99Å; T20-T24 PolarHBondContact O-OG1 2.92Å; A21-T24 PolarHBondContact O-N 3.35Å; V22-T24 PolarHBondContact O-N 2.88Å; T24-A27 PolarHBondContact O-N 2.85Å; T24-A28 WeakPolarHBondContact O-CB 3.49Å; T24-A28 PolarHBondContact O-N 3.12Å; T24-Y41 HydrophobicContact CG2-CD1 4.12Å; T24-Y41 HydrophobicContact CG2-CE1 3.83Å; T24-I42 HydrophobicContact CG2-CB 4.43Å; T24-I42 HydrophobicContact CG2-CG1 4.18Å; T24-I42 HydrophobicContact CG2-CG2 4.42Å; T24-E45 HydrophobicContact CG2-CB 3.85Å; T24-E45 HydrophobicContact CG2-CG 4.16Å; T24-F46 HydrophobicContact CG2-CE2 4.49Å
25A98.1Very high97.3Very high0 Ų065.1 Ų65.10%032%0.322CS..Hα-helixtrans-65.1-42.4174.900000112.4A21 V22 A27 A28 L29 I42 F76 L78 F83A21-A25 WeakPolarHBondContact O-CB 3.44Å; A21-A25 PolarHBondContact O-N 3.27Å; V22-A25 PolarHBondContact O-N 3.05Å; A25-A27 PolarHBondContact O-N 2.78Å; A25-A28 WeakPolarHBondContact O-CB 3.44Å; A25-A28 PolarHBondContact O-N 3.08Å; A25-L29 WeakPolarHBondContact O-CG 3.46Å; A25-L29 PolarHBondContact O-N 2.94Å; A25-I42 HydrophobicContact CB-CD1 3.84Å; A25-F76 HydrophobicContact CB-CE2 3.97Å; A25-F76 HydrophobicContact CB-CZ 3.65Å; A25-L78 HydrophobicContact CB-CD2 4.29Å; A25-F83 HydrophobicContact CB-CD1 3.85Å; A25-F83 HydrophobicContact CB-CE1 3.7Å; A25-F83 HydrophobicContact CB-CG 4.47Å; A25-F83 HydrophobicContact CB-CZ 4.22Å
26A96.9Very high97.3Very high20 Ų2064.5 Ų64.517%0.16532%0.317CS..Hα-helixtrans-59.7-46.7175.100000111.5R4 V22 H23 A28 L29 D30 L78R4-A26 PolarHBondContact NH1-O 3.2Å; V22-A26 WeakPolarHBondContact O-CB 3.32Å; V22-A26 PolarHBondContact O-N 3.43Å; H23-A26 PolarHBondContact O-N 3.01Å; A26-A28 VanDerWaalsContact C-N 3.31Å; A26-A28 PolarHBondContact O-N 3.41Å; A26-L29 PolarHBondContact O-N 3.1Å; A26-D30 PolarHBondContact O-N 2.85Å; A26-L78 HydrophobicContact CB-CD2 4.04Å
27A96.6Very high97.4Very high31 Ų3162 Ų6226%0.25630%0.304SS..Hα-helixtrans-64.4-34.5176.200000112.8H23 T24 A25 D30 K31H23-A27 WeakPolarHBondContact O-CB 3.3Å; H23-A27 PolarHBondContact O-N 3.48Å; T24-A27 PolarHBondContact O-N 2.85Å; A25-A27 PolarHBondContact O-N 2.78Å; A27-D30 PolarHBondContact O-N 3.12Å; A27-K31 WeakPolarHBondContact O-CG 3.34Å; A27-K31 PolarHBondContact O-N 2.91Å
28A97.8Very high97.4Very high0 Ų061.1 Ų61.10%030%0.299CS..Hα-helixtrans-66.5-40.5175.700000111.6T24 A25 A26 D30 K31 Y32 V38 Y41 I42T24-A28 WeakPolarHBondContact O-CB 3.49Å; T24-A28 PolarHBondContact O-N 3.12Å; A25-A28 WeakPolarHBondContact O-CB 3.44Å; A25-A28 PolarHBondContact O-N 3.08Å; A26-A28 VanDerWaalsContact C-N 3.31Å; A26-A28 PolarHBondContact O-N 3.41Å; A28-D30 VanDerWaalsContact C-N 3.25Å; A28-D30 PolarHBondContact O-N 2.65Å; A28-K31 PolarHBondContact O-N 3.22Å; A28-K31 VanDerWaalsContact O-N 3.12Å; A28-Y32 WeakPolarHBondContact O-CD2 3.24Å; A28-Y32 PolarHBondContact O-N 2.99Å; A28-V38 HydrophobicContact CB-CB 4.45Å; A28-V38 HydrophobicContact CB-CG1 3.76Å; A28-Y41 HydrophobicContact CB-CD1 3.55Å; A28-Y41 HydrophobicContact CB-CE1 4.15Å; A28-Y41 HydrophobicContact CB-CG 4.18Å; A28-I42 HydrophobicContact CB-CD1 4.39Å; A28-I42 HydrophobicContact CB-CG1 4.06Å
29L96.2Very high97.4Very high21 Ų2160 Ų6011%0.1130%0.296CS..Hα-helixtrans-65.7-25.2175.6-70.5177.6000113.5A25 A26 V38 L78 F83A25-L29 WeakPolarHBondContact O-CG 3.46Å; A25-L29 PolarHBondContact O-N 2.94Å; A26-L29 PolarHBondContact O-N 3.1Å; L29-V38 HydrophobicContact CD2-CG1 4.29Å; L29-V38 HydrophobicContact CD2-CG2 4.25Å; L29-L78 HydrophobicContact CD1-CD2 3.69Å; L29-L78 HydrophobicContact CD1-CG 4.06Å; L29-F83 HydrophobicContact CD1-CZ 4.01Å; L29-F83 HydrophobicContact CD2-CZ 4.1Å; L29-F83 HydrophobicContact CG-CZ 4.11Å
30D95.5Very high97.4Very high103 Ų10356.1 Ų56.155%0.55129%0.285SS*.Hα-helixtrans-76.2-24.2173.1-69.6-40.2000113.1R4 A26 A27 A28R4-D30 IonicContact CZ-OD1 3.71Å; R4-D30 IonicContact NH1-OD1 3.84Å; R4-D30 PolarHBondContact NH1-OD1 2.89Å; R4-D30 IonicContact NH1-OD2 3.66Å; R4-D30 PolarHBondContact NH1-OD2 3.49Å; R4-D30 IonicContact NH2-OD1 3.23Å; R4-D30 PolarHBondContact NH2-OD1 3.43Å; A26-D30 PolarHBondContact O-N 2.85Å; A27-D30 PolarHBondContact O-N 3.12Å; A28-D30 VanDerWaalsContact C-N 3.25Å; A28-D30 PolarHBondContact O-N 2.65Å
31K96.6Very high97.5Very high124 Ų12457 Ų5754%0.53929%0.285SS..Hα-helixtrans-100.1-29.4-174.3-69.2176.8-177.2179.20113.7A27 A28 Y41A27-K31 WeakPolarHBondContact O-CG 3.34Å; A27-K31 PolarHBondContact O-N 2.91Å; A28-K31 PolarHBondContact O-N 3.22Å; A28-K31 VanDerWaalsContact O-N 3.12Å; K31-Y41 HydrophobicContact CD-CE2 4.09Å; K31-Y41 PolarHBondContact NZ-OH 3.01Å
32Y97.3Very high97.5Very high90 Ų9057.1 Ų57.135%0.35329%0.286SS..  trans-134.7132.8-169.2-53.3-73.6000112.1A28 D37 V38 Y41A28-Y32 WeakPolarHBondContact O-CD2 3.24Å; A28-Y32 PolarHBondContact O-N 2.99Å; Y32-D37 HydrophobicContact CD1-CB 3.79Å; Y32-D37 HydrophobicContact CG-CB 3.9Å; Y32-V38 WeakPolarHBondContact O-CG2 3.44Å; Y32-Y41 HydrophobicContact CD2-CG 4.48Å; Y32-Y41 AromaticContact CE2-CD2 3.58Å; Y32-Y41 HydrophobicContact CE2-CD2 3.58Å; Y32-Y41 HydrophobicContact CE2-CE2 4.41Å; Y32-Y41 AromaticContact CE2-CG 3.77Å; Y32-Y41 HydrophobicContact CE2-CG 3.77Å
33E94.5Very high97.5Very high175 Ų17559 Ų5982%0.81829%0.292SS*.SBendtrans-84.7-36.1175.8-63.6-174.116700112.3R81E33-R81 PolarHBondContact O-NH1 2.63Å; E33-R81 PolarHBondContact O-NH2 3.09Å
34I96.9Very high97.6Very high104 Ų10459.6 Ų59.653%0.53329%0.293SS..SBendtrans-83.3127.7-173.6-56.8176.1000110.5K36 D37 V38I34-K36 VanDerWaalsContact C-N 3.27Å; I34-K36 HydrophobicContact CG2-CB 4.1Å; I34-K36 PolarHBondContact O-N 3.12Å; I34-D37 PolarHBondContact O-N 3.41Å; I34-V38 PolarHBondContact O-N 2.94Å; I34-V38 VanDerWaalsContact O-N 3.13Å
35E97.7Very high97.6Very high68 Ų6861.3 Ų61.332%0.31830%0.299SS..Hα-helixtrans-55-39.6-176.9-65.1174.9153.600113.1D37 V38 A39 V58 G59 K60E35-D37 VanDerWaalsContact C-N 3.31Å; E35-D37 PolarHBondContact O-N 3.37Å; E35-V38 PolarHBondContact O-N 2.91Å; E35-A39 WeakPolarHBondContact O-CB 3.23Å; E35-A39 PolarHBondContact O-N 2.96Å; E35-V58 HydrophobicContact CB-CB 4.31Å; E35-V58 HydrophobicContact CB-CG1 4.25Å; E35-V58 HydrophobicContact CG-CG1 4.29Å; E35-G59 WeakPolarHBondContact OE1-CA 3.15Å; E35-K60 PolarHBondContact OE1-N 3.45Å
36K98.1Very high97.6Very high142 Ų14261.3 Ų61.362%0.61730%0.3SS*.Hα-helixtrans-57.1-42.3175.1-177.8-173.962.7620112.6I34 A40I34-K36 VanDerWaalsContact C-N 3.27Å; I34-K36 HydrophobicContact CG2-CB 4.1Å; I34-K36 PolarHBondContact O-N 3.12Å; K36-A40 WeakPolarHBondContact O-CB 3.47Å; K36-A40 PolarHBondContact O-N 3.47Å
37D98.4Very high97.7Very high48 Ų4861.8 Ų61.826%0.25730%0.299SS..Hα-helixtrans-76.7-36-176.3-62.7-28.5000111.1Y32 I34 E35 A40 Y41Y32-D37 HydrophobicContact CD1-CB 3.79Å; Y32-D37 HydrophobicContact CG-CB 3.9Å; I34-D37 PolarHBondContact O-N 3.41Å; E35-D37 VanDerWaalsContact C-N 3.31Å; E35-D37 PolarHBondContact O-N 3.37Å; D37-A40 PolarHBondContact O-N 3.37Å; D37-Y41 WeakPolarHBondContact O-CB 3.37Å; D37-Y41 PolarHBondContact O-N 2.81Å
38V98.5Very high97.8Very high0 Ų068.3 Ų68.30%032%0.317CS..Hα-helixtrans-57.9-50.9169.2177.90000110.4A28 L29 Y32 I34 E35 A40 Y41 I42 V58 F83A28-V38 HydrophobicContact CB-CB 4.45Å; A28-V38 HydrophobicContact CB-CG1 3.76Å; L29-V38 HydrophobicContact CD2-CG1 4.29Å; L29-V38 HydrophobicContact CD2-CG2 4.25Å; Y32-V38 WeakPolarHBondContact O-CG2 3.44Å; I34-V38 PolarHBondContact O-N 2.94Å; I34-V38 VanDerWaalsContact O-N 3.13Å; E35-V38 PolarHBondContact O-N 2.91Å; V38-A40 PolarHBondContact O-N 2.93Å; V38-Y41 PolarHBondContact O-N 2.88Å; V38-I42 HydrophobicContact CG1-CD1 3.96Å; V38-I42 WeakPolarHBondContact O-CG1 3.48Å; V38-I42 PolarHBondContact O-N 3.48Å; V38-I42 VanDerWaalsContact O-N 3.12Å; V38-V58 HydrophobicContact CG1-CG1 4.27Å; V38-V58 HydrophobicContact CG1-CG2 4.07Å; V38-F83 HydrophobicContact CG1-CE1 3.73Å; V38-F83 HydrophobicContact CG1-CZ 4.34Å
39A98.8Very high97.8Very high12 Ų1273.4 Ų73.410%0.09934%0.339CS..Hα-helixtrans-60.4-44.5178.600000112E35 Y41 I42 K43 C56 V58E35-A39 WeakPolarHBondContact O-CB 3.23Å; E35-A39 PolarHBondContact O-N 2.96Å; A39-Y41 VanDerWaalsContact C-N 3.34Å; A39-Y41 PolarHBondContact O-N 2.98Å; A39-I42 PolarHBondContact O-N 2.98Å; A39-K43 WeakPolarHBondContact O-CB 3.43Å; A39-K43 PolarHBondContact O-N 2.8Å; A39-C56 HydrophobicContact CB-CB 4.28Å; A39-C56 WeakPolarHBondContact O-CB 3.35Å; A39-V58 HydrophobicContact CB-CB 4.36Å; A39-V58 HydrophobicContact CB-CG2 3.83Å
40A98.7Very high97.9Very high39 Ų3974.2 Ų74.232%0.32234%0.341SS..Hα-helixtrans-63.2-38.3178.800000112.5K36 D37 V38 K44K36-A40 WeakPolarHBondContact O-CB 3.47Å; K36-A40 PolarHBondContact O-N 3.47Å; D37-A40 PolarHBondContact O-N 3.37Å; V38-A40 PolarHBondContact O-N 2.93Å; A40-K44 WeakPolarHBondContact O-CB 3.36Å; A40-K44 VanDerWaalsContact O-CG 3.26Å; A40-K44 WeakPolarHBondContact O-CG 3.13Å; A40-K44 PolarHBondContact O-N 3.08Å; A40-K44 VanDerWaalsContact O-N 3.09Å
41Y98.7Very high98Very high44 Ų4474.8 Ų74.817%0.17334%0.344CS..Hα-helixtrans-63.5-50.6175.7178.5-89.8000111.6T24 A28 K31 Y32 D37 V38 A39 K43 K44 E45T24-Y41 HydrophobicContact CG2-CD1 4.12Å; T24-Y41 HydrophobicContact CG2-CE1 3.83Å; A28-Y41 HydrophobicContact CB-CD1 3.55Å; A28-Y41 HydrophobicContact CB-CE1 4.15Å; A28-Y41 HydrophobicContact CB-CG 4.18Å; K31-Y41 HydrophobicContact CD-CE2 4.09Å; K31-Y41 PolarHBondContact NZ-OH 3.01Å; Y32-Y41 HydrophobicContact CD2-CG 4.48Å; Y32-Y41 AromaticContact CE2-CD2 3.58Å; Y32-Y41 HydrophobicContact CE2-CD2 3.58Å; Y32-Y41 HydrophobicContact CE2-CE2 4.41Å; Y32-Y41 AromaticContact CE2-CG 3.77Å; Y32-Y41 HydrophobicContact CE2-CG 3.77Å; D37-Y41 WeakPolarHBondContact O-CB 3.37Å; D37-Y41 PolarHBondContact O-N 2.81Å; V38-Y41 PolarHBondContact O-N 2.88Å; A39-Y41 VanDerWaalsContact C-N 3.34Å; A39-Y41 PolarHBondContact O-N 2.98Å; Y41-K43 PolarHBondContact O-N 2.92Å; Y41-K44 PolarHBondContact O-N 2.85Å; Y41-E45 HydrophobicContact CD1-CG 4.32Å; Y41-E45 HydrophobicContact CE1-CG 3.95Å; Y41-E45 HydrophobicContact CE2-CG 4.43Å; Y41-E45 PolarHBondContact O-N 2.84Å
42I98.8Very high98Very high3 Ų372.2 Ų72.22%0.01534%0.34CS..Hα-helixtrans-61.1-47.4-178.7-62.5164000110.2T24 A25 A28 V38 A39 K44 E45 F46 V58 F83 L85T24-I42 HydrophobicContact CG2-CB 4.43Å; T24-I42 HydrophobicContact CG2-CG1 4.18Å; T24-I42 HydrophobicContact CG2-CG2 4.42Å; A25-I42 HydrophobicContact CB-CD1 3.84Å; A28-I42 HydrophobicContact CB-CD1 4.39Å; A28-I42 HydrophobicContact CB-CG1 4.06Å; V38-I42 HydrophobicContact CG1-CD1 3.96Å; V38-I42 WeakPolarHBondContact O-CG1 3.48Å; V38-I42 PolarHBondContact O-N 3.48Å; V38-I42 VanDerWaalsContact O-N 3.12Å; A39-I42 PolarHBondContact O-N 2.98Å; I42-K44 PolarHBondContact O-N 2.78Å; I42-E45 PolarHBondContact O-N 3.41Å; I42-F46 HydrophobicContact CG2-CD2 4.13Å; I42-F46 HydrophobicContact CG2-CE2 4.44Å; I42-F46 WeakPolarHBondContact O-CB 3.34Å; I42-F46 WeakPolarHBondContact O-CD2 3.35Å; I42-F46 PolarHBondContact O-N 2.73Å; I42-V58 HydrophobicContact CD1-CG2 4.42Å; I42-F83 HydrophobicContact CD1-CD1 3.67Å; I42-F83 HydrophobicContact CD1-CE1 3.72Å; I42-L85 HydrophobicContact CG2-CD1 3.98Å; I42-L85 HydrophobicContact CG2-CD2 3.84Å; I42-L85 HydrophobicContact CG2-CG 4.47Å
43K98.7Very high98Very high65 Ų6571.7 Ų71.728%0.28334%0.343SS..Hα-helixtrans-54-51.1176.6-171.3-153.8179.8-47.10111.7A39 Y41 E45 F46 D47 W54 C56A39-K43 WeakPolarHBondContact O-CB 3.43Å; A39-K43 PolarHBondContact O-N 2.8Å; Y41-K43 PolarHBondContact O-N 2.92Å; K43-E45 PolarHBondContact O-N 3.3Å; K43-F46 PolarHBondContact O-N 3.23Å; K43-D47 IonicContact NZ-OD1 2.79Å; K43-D47 PolarHBondContact NZ-OD1 2.97Å; K43-D47 IonicContact NZ-OD2 3.7Å; K43-D47 PolarHBondContact NZ-OD2 3.42Å; K43-D47 WeakPolarHBondContact O-CB 3.48Å; K43-D47 VanDerWaalsContact O-CG 3.28Å; K43-D47 PolarHBondContact O-N 3.34Å; K43-W54 WeakPolarHBondContact CE-O 3.42Å; K43-W54 HydrophobicContact CG-CB 4.34Å; K43-W54 WeakPolarHBondContact CG-O 3.49Å; K43-W54 PolarHBondContact NZ-O 2.89Å; K43-C56 HydrophobicContact CB-CB 4.14Å
44K98.6Very high98.2Very high144 Ų14463.3 Ų63.363%0.62630%0.304SS*.Hα-helixtrans-63.2-40.6-178.8-75.5175.1179.8-179.10112.5A40 Y41 I42 R48A40-K44 WeakPolarHBondContact O-CB 3.36Å; A40-K44 VanDerWaalsContact O-CG 3.26Å; A40-K44 WeakPolarHBondContact O-CG 3.13Å; A40-K44 PolarHBondContact O-N 3.08Å; A40-K44 VanDerWaalsContact O-N 3.09Å; Y41-K44 PolarHBondContact O-N 2.85Å; I42-K44 PolarHBondContact O-N 2.78Å; K44-R48 VanDerWaalsContact O-CB 3.28Å; K44-R48 WeakPolarHBondContact O-CB 3.49Å; K44-R48 PolarHBondContact O-N 3.3Å
45E98.6Very high98.3Very high54 Ų5461.8 Ų61.825%0.25230%0.295SS..Hα-helixtrans-65.6-40.3177.2-77.9-61.4106.900111.9T24 Y41 I42 K43 R48 K49T24-E45 HydrophobicContact CG2-CB 3.85Å; T24-E45 HydrophobicContact CG2-CG 4.16Å; Y41-E45 HydrophobicContact CD1-CG 4.32Å; Y41-E45 HydrophobicContact CE1-CG 3.95Å; Y41-E45 HydrophobicContact CE2-CG 4.43Å; Y41-E45 PolarHBondContact O-N 2.84Å; I42-E45 PolarHBondContact O-N 3.41Å; K43-E45 PolarHBondContact O-N 3.3Å; E45-R48 PolarHBondContact O-N 2.93Å; E45-R48 IonicContact OE1-CZ 3.17Å; E45-R48 IonicContact OE1-NE 3.64Å; E45-R48 PolarHBondContact OE1-NE 3.47Å; E45-R48 IonicContact OE1-NH2 2.8Å; E45-R48 IonicContact OE2-CZ 3Å; E45-R48 IonicContact OE2-NE 2.78Å; E45-R48 IonicContact OE2-NH2 2.65Å; E45-R48 PolarHBondContact OE2-NH2 3Å; E45-K49 VanDerWaalsContact O-CB 3.3Å; E45-K49 WeakPolarHBondContact O-CB 3.3Å; E45-K49 PolarHBondContact O-N 3.42Å
46F98.6Very high98.3Very high1 Ų159.6 Ų59.60%0.00429%0.287CS..Hα-helixtrans-71.4-41176.8-91.5-109.6000112.7M17 T20 A21 T24 I42 K43 R48 K49 Y50 W54 L85M17-F46 HydrophobicContact CG-CE1 4.06Å; T20-F46 HydrophobicContact CG2-CE2 4.11Å; T20-F46 HydrophobicContact CG2-CZ 4.06Å; A21-F46 VanDerWaalsContact CA-CZ 3.48Å; A21-F46 HydrophobicContact CB-CE1 4.43Å; A21-F46 HydrophobicContact CB-CE2 4.25Å; A21-F46 HydrophobicContact CB-CZ 3.61Å; T24-F46 HydrophobicContact CG2-CE2 4.49Å; I42-F46 HydrophobicContact CG2-CD2 4.13Å; I42-F46 HydrophobicContact CG2-CE2 4.44Å; I42-F46 WeakPolarHBondContact O-CB 3.34Å; I42-F46 WeakPolarHBondContact O-CD2 3.35Å; I42-F46 PolarHBondContact O-N 2.73Å; K43-F46 PolarHBondContact O-N 3.23Å; F46-R48 VanDerWaalsContact C-N 3.26Å; F46-R48 PolarHBondContact O-N 2.82Å; F46-K49 PolarHBondContact O-N 3.29Å; F46-Y50 HydrophobicContact CB-CD2 4.47Å; F46-Y50 AromaticContact CD1-CD2 3.47Å; F46-Y50 HydrophobicContact CD1-CD2 3.47Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.47Å; F46-Y50 AromaticContact CD1-CE2 3.8Å; F46-Y50 HydrophobicContact CD1-CE2 3.8Å; F46-Y50 AromaticContact CE1-CD2 3.71Å; F46-Y50 HydrophobicContact CE1-CD2 3.71Å; F46-Y50 AromaticContact CE1-CE2 3.56Å; F46-Y50 HydrophobicContact CE1-CE2 3.56Å; F46-Y50 HydrophobicContact CE2-CE2 4.49Å; F46-Y50 HydrophobicContact CG-CD2 4.03Å; F46-Y50 HydrophobicContact CG-CE2 4.37Å; F46-Y50 HydrophobicContact CZ-CD2 4.43Å; F46-Y50 AromaticContact CZ-CE2 3.92Å; F46-Y50 HydrophobicContact CZ-CE2 3.92Å; F46-Y50 WeakPolarHBondContact O-CA 3.49Å; F46-Y50 PolarHBondContact O-N 3.44Å; F46-W54 VanDerWaalsContact C-CD1 3.41Å; F46-W54 HydrophobicContact CB-CB 4.11Å; F46-W54 HydrophobicContact CB-CD2 3.7Å; F46-W54 HydrophobicContact CB-CE3 4.28Å; F46-W54 HydrophobicContact CB-CG 3.6Å; F46-W54 AromaticContact CD1-CD2 3.73Å; F46-W54 HydrophobicContact CD1-CD2 3.73Å; F46-W54 AromaticContact CD1-CE2 3.68Å; F46-W54 AromaticContact CD1-CE3 3.7Å; F46-W54 HydrophobicContact CD1-CE3 3.7Å; F46-W54 AromaticContact CD1-CH2 3.57Å; F46-W54 HydrophobicContact CD1-CH2 3.57Å; F46-W54 AromaticContact CD1-CZ2 3.59Å; F46-W54 HydrophobicContact CD1-CZ2 3.59Å; F46-W54 AromaticContact CD1-CZ3 3.64Å; F46-W54 HydrophobicContact CD1-CZ3 3.64Å; F46-W54 AromaticContact CE1-CH2 3.91Å; F46-W54 HydrophobicContact CE1-CH2 3.91Å; F46-W54 HydrophobicContact CE1-CZ2 4.25Å; F46-W54 HydrophobicContact CE1-CZ3 4.07Å; F46-W54 HydrophobicContact CG-CD2 4.18Å; F46-W54 HydrophobicContact CG-CE3 4.35Å; F46-W54 PolarHBondContact O-NE1 3.36Å; F46-L85 HydrophobicContact CD1-CD2 3.66Å; F46-L85 HydrophobicContact CD1-CG 4.34Å; F46-L85 HydrophobicContact CD2-CD2 3.89Å; F46-L85 HydrophobicContact CE1-CD2 3.51Å; F46-L85 HydrophobicContact CE2-CD2 3.75Å; F46-L85 HydrophobicContact CG-CD1 4.37Å; F46-L85 HydrophobicContact CG-CD2 3.86Å; F46-L85 HydrophobicContact CZ-CD2 3.57Å
47D98.5Very high98.4Very high29 Ų2956 Ų5616%0.15527%0.274CS..Hα-helixtrans-55.8-43.7170.8-75.8-23.6000111K43 N51 P52 W54K43-D47 IonicContact NZ-OD1 2.79Å; K43-D47 PolarHBondContact NZ-OD1 2.97Å; K43-D47 IonicContact NZ-OD2 3.7Å; K43-D47 PolarHBondContact NZ-OD2 3.42Å; K43-D47 WeakPolarHBondContact O-CB 3.48Å; K43-D47 VanDerWaalsContact O-CG 3.28Å; K43-D47 PolarHBondContact O-N 3.34Å; D47-N51 CarbonylContact O-C 3.59Å; D47-N51 WeakPolarHBondContact O-CA 3.47Å; D47-N51 PolarHBondContact O-N 2.96Å; D47-P52 HydrophobicContact CB-CG 4.15Å; D47-P52 WeakPolarHBondContact O-CD 3.45Å; D47-P52 WeakPolarHBondContact OD1-CA 3.46Å; D47-W54 WeakPolarHBondContact OD1-CB 3.47Å; D47-W54 PolarHBondContact OD1-N 3.3Å
48R98.3Very high98.4Very high169 Ų16954.3 Ų54.364%0.63827%0.265SS*.Hα-helixtrans-69-40.8179.8-174.3-176.465.972.90.3112.6K44 E45 F46K44-R48 VanDerWaalsContact O-CB 3.28Å; K44-R48 WeakPolarHBondContact O-CB 3.49Å; K44-R48 PolarHBondContact O-N 3.3Å; E45-R48 PolarHBondContact O-N 2.93Å; E45-R48 IonicContact OE1-CZ 3.17Å; E45-R48 IonicContact OE1-NE 3.64Å; E45-R48 PolarHBondContact OE1-NE 3.47Å; E45-R48 IonicContact OE1-NH2 2.8Å; E45-R48 IonicContact OE2-CZ 3Å; E45-R48 IonicContact OE2-NE 2.78Å; E45-R48 IonicContact OE2-NH2 2.65Å; E45-R48 PolarHBondContact OE2-NH2 3Å; F46-R48 VanDerWaalsContact C-N 3.26Å; F46-R48 PolarHBondContact O-N 2.82Å
49K98Very high98.3Very high107 Ų10754.6 Ų54.647%0.46527%0.268SS..Hα-helixtrans-86.7-35.7-173.1-170.3176.4177.5-169.60113.3T20 E45 F46T20-K49 HydrophobicContact CG2-CD 4.09Å; T20-K49 PolarHBondContact OG1-NZ 3.46Å; T20-K49 VanDerWaalsContact OG1-NZ 3.08Å; E45-K49 VanDerWaalsContact O-CB 3.3Å; E45-K49 WeakPolarHBondContact O-CB 3.3Å; E45-K49 PolarHBondContact O-N 3.42Å; F46-K49 PolarHBondContact O-N 3.29Å
50Y97.8Very high98.2Very high38 Ų3858.4 Ų58.415%0.14928%0.283CS..Hα-helixtrans-123.714.2-169.7-57-62.3000113.8M17 T20 F46 W54M17-Y50 HydrophobicContact CE-CD1 3.71Å; M17-Y50 HydrophobicContact CE-CD2 4.44Å; M17-Y50 HydrophobicContact CE-CE1 3.78Å; M17-Y50 HydrophobicContact CE-CE2 4.47Å; M17-Y50 HydrophobicContact CE-CG 4.05Å; M17-Y50 HydrophobicContact CG-CE2 3.98Å; T20-Y50 WeakPolarHBondContact CB-OH 3.48Å; T20-Y50 HydrophobicContact CG2-CE2 4.07Å; T20-Y50 WeakPolarHBondContact CG2-OH 3.49Å; T20-Y50 PolarHBondContact OG1-OH 3.3Å; T20-Y50 VanDerWaalsContact OG1-OH 3.12Å; F46-Y50 HydrophobicContact CB-CD2 4.47Å; F46-Y50 AromaticContact CD1-CD2 3.47Å; F46-Y50 HydrophobicContact CD1-CD2 3.47Å; F46-Y50 VanDerWaalsContact CD1-CD2 3.47Å; F46-Y50 AromaticContact CD1-CE2 3.8Å; F46-Y50 HydrophobicContact CD1-CE2 3.8Å; F46-Y50 AromaticContact CE1-CD2 3.71Å; F46-Y50 HydrophobicContact CE1-CD2 3.71Å; F46-Y50 AromaticContact CE1-CE2 3.56Å; F46-Y50 HydrophobicContact CE1-CE2 3.56Å; F46-Y50 HydrophobicContact CE2-CE2 4.49Å; F46-Y50 HydrophobicContact CG-CD2 4.03Å; F46-Y50 HydrophobicContact CG-CE2 4.37Å; F46-Y50 HydrophobicContact CZ-CD2 4.43Å; F46-Y50 AromaticContact CZ-CE2 3.92Å; F46-Y50 HydrophobicContact CZ-CE2 3.92Å; F46-Y50 WeakPolarHBondContact O-CA 3.49Å; F46-Y50 PolarHBondContact O-N 3.44Å; Y50-W54 HydrophobicContact CD2-CZ2 4.1Å; Y50-W54 HydrophobicContact CG-CZ2 4.21Å
51N97.2Very high98.1Very high114 Ų11465.1 Ų65.161%0.6131%0.307SS*.  trans67.5146.1-174.7-49.5-71.2000113.6D47 W54D47-N51 CarbonylContact O-C 3.59Å; D47-N51 WeakPolarHBondContact O-CA 3.47Å; D47-N51 PolarHBondContact O-N 2.96Å; N51-W54 PolarHBondContact O-NE1 2.75Å; N51-W54 VanDerWaalsContact O-NE1 3.07Å
52P97.9Very high98Very high70 Ų7065.9 Ų65.946%0.45531%0.311SS..SBendtrans-61.9160.4173.7-19.932.3000112.9D47 K87D47-P52 HydrophobicContact CB-CG 4.15Å; D47-P52 WeakPolarHBondContact O-CD 3.45Å; D47-P52 WeakPolarHBondContact OD1-CA 3.46Å; P52-K87 WeakPolarHBondContact O-CE 3.36Å
53N96.9Very high97.9Very high79 Ų7969.5 Ų69.542%0.42235%0.349SS..  cis-114.1103.39-65.3-59.9000112.3H55 K87 S88N53-H55 PolarHBondContact O-CD2 2.96Å; N53-H55 PolarHBondContact O-NE2 3.39Å; N53-K87 WeakPolarHBondContact O-CA 3.33Å; N53-K87 WeakPolarHBondContact O-CG 3Å; N53-S88 PolarHBondContact O-N 3.12Å
54W98.7Very high97.8Very high0 Ų069.1 Ų69.10%035%0.354CS..EExtended strand (participates in β ladder)trans-81.5149.6173.4-6983.7000111.9M13 M17 K43 F46 D47 Y50 N51 H72 L85 F86 K87M13-W54 HydrophobicContact CE-CH2 4.03Å; M13-W54 HydrophobicContact CE-CZ3 4.07Å; M17-W54 HydrophobicContact SD-CH2 3.73Å; M17-W54 HydrophobicContact SD-CZ2 4.14Å; K43-W54 WeakPolarHBondContact CE-O 3.42Å; K43-W54 HydrophobicContact CG-CB 4.34Å; K43-W54 WeakPolarHBondContact CG-O 3.49Å; K43-W54 PolarHBondContact NZ-O 2.89Å; F46-W54 VanDerWaalsContact C-CD1 3.41Å; F46-W54 HydrophobicContact CB-CB 4.11Å; F46-W54 HydrophobicContact CB-CD2 3.7Å; F46-W54 HydrophobicContact CB-CE3 4.28Å; F46-W54 HydrophobicContact CB-CG 3.6Å; F46-W54 AromaticContact CD1-CD2 3.73Å; F46-W54 HydrophobicContact CD1-CD2 3.73Å; F46-W54 AromaticContact CD1-CE2 3.68Å; F46-W54 AromaticContact CD1-CE3 3.7Å; F46-W54 HydrophobicContact CD1-CE3 3.7Å; F46-W54 AromaticContact CD1-CH2 3.57Å; F46-W54 HydrophobicContact CD1-CH2 3.57Å; F46-W54 AromaticContact CD1-CZ2 3.59Å; F46-W54 HydrophobicContact CD1-CZ2 3.59Å; F46-W54 AromaticContact CD1-CZ3 3.64Å; F46-W54 HydrophobicContact CD1-CZ3 3.64Å; F46-W54 AromaticContact CE1-CH2 3.91Å; F46-W54 HydrophobicContact CE1-CH2 3.91Å; F46-W54 HydrophobicContact CE1-CZ2 4.25Å; F46-W54 HydrophobicContact CE1-CZ3 4.07Å; F46-W54 HydrophobicContact CG-CD2 4.18Å; F46-W54 HydrophobicContact CG-CE3 4.35Å; F46-W54 PolarHBondContact O-NE1 3.36Å; D47-W54 WeakPolarHBondContact OD1-CB 3.47Å; D47-W54 PolarHBondContact OD1-N 3.3Å; Y50-W54 HydrophobicContact CD2-CZ2 4.1Å; Y50-W54 HydrophobicContact CG-CZ2 4.21Å; N51-W54 PolarHBondContact O-NE1 2.75Å; N51-W54 VanDerWaalsContact O-NE1 3.07Å; W54-H72 HydrophobicContact CH2-CB 3.88Å; W54-H72 AromaticContact CH2-CD2 3.88Å; W54-H72 HydrophobicContact CZ2-CB 4.37Å; W54-H72 AromaticContact CZ2-CD2 3.63Å; W54-H72 HydrophobicContact CZ3-CB 4.31Å; W54-L85 HydrophobicContact CB-CD1 4.49Å; W54-L85 HydrophobicContact CD2-CD1 4.49Å; W54-L85 HydrophobicContact CE3-CD1 3.69Å; W54-L85 HydrophobicContact CE3-CD2 4.45Å; W54-L85 HydrophobicContact CE3-CG 3.76Å; W54-L85 HydrophobicContact CZ3-CD1 4.37Å; W54-L85 HydrophobicContact CZ3-CD2 4.4Å; W54-L85 HydrophobicContact CZ3-CG 3.91Å; W54-F86 CarbonylContact C-O 3.52Å; W54-K87 HydrophobicContact CD2-CB 4.08Å; W54-K87 HydrophobicContact CD2-CG 4.38Å; W54-K87 HydrophobicContact CE3-CB 4.18Å; W54-K87 HydrophobicContact CG-CG 4.47Å; W54-K87 HydrophobicContact CZ2-CB 4.48Å; W54-K87 HydrophobicContact CZ3-CB 4.41Å
55H98.7Very high97.8Very high71 Ų7173.3 Ų73.333%0.32937%0.368SS..EExtended strand (participates in β ladder)trans-126.7137.1175.8-57.5-84.8000108.3N53 L85 F86 S88N53-H55 PolarHBondContact O-CD2 2.96Å; N53-H55 PolarHBondContact O-NE2 3.39Å; H55-L85 WeakPolarHBondContact O-CA 3.38Å; H55-L85 WeakPolarHBondContact O-CD1 3.38Å; H55-F86 HydrophobicContact CB-CD1 4.07Å; H55-F86 HydrophobicContact CB-CD2 4.24Å; H55-F86 HydrophobicContact CB-CE1 3.62Å; H55-F86 HydrophobicContact CB-CE2 3.81Å; H55-F86 HydrophobicContact CB-CG 4.37Å; H55-F86 HydrophobicContact CB-CZ 3.47Å; H55-F86 VanDerWaalsContact CB-CZ 3.47Å; H55-F86 AromaticContact CD2-CE2 3.71Å; H55-F86 AromaticContact CG-CE2 3.87Å; H55-F86 AromaticContact CG-CZ 3.89Å; H55-F86 PolarHBondContact N-O 3.38Å; H55-F86 PolarHBondContact O-N 2.96Å; H55-S88 PolarHBondContact NE2-O 3.19Å
56C98.7Very high97.7Very high23 Ų2373 Ų7316%0.15537%0.369CS..EExtended strand (participates in β ladder)trans-135.6132.9-179.7-170.70000110.6A39 K43 L84 L85A39-C56 HydrophobicContact CB-CB 4.28Å; A39-C56 WeakPolarHBondContact O-CB 3.35Å; K43-C56 HydrophobicContact CB-CB 4.14Å; C56-L84 CarbonylContact C-O 2.87Å; C56-L84 VanDerWaalsContact CA-O 3.31Å; C56-L84 WeakPolarHBondContact CA-O 3.29Å; C56-L85 HydrophobicContact CB-CD1 4.02Å
57I98.6Very high97.7Very high66 Ų6678.5 Ų78.534%0.33840%0.403SS..EExtended strand (participates in β ladder)trans-122.4133.5172.6-49.4-178.3000107.7F62 F83 L84I57-F62 HydrophobicContact CG2-CD1 4.4Å; I57-F62 HydrophobicContact CG2-CD2 4.32Å; I57-F62 HydrophobicContact CG2-CE1 4.32Å; I57-F62 HydrophobicContact CG2-CE2 4.27Å; I57-F62 HydrophobicContact CG2-CG 4.39Å; I57-F62 HydrophobicContact CG2-CZ 4.26Å; I57-F83 WeakPolarHBondContact O-CA 3.47Å; I57-L84 HydrophobicContact CB-CB 4.19Å; I57-L84 HydrophobicContact CD1-CD2 3.94Å; I57-L84 HydrophobicContact CG1-CD2 4.45Å; I57-L84 PolarHBondContact N-O 2.85Å; I57-L84 PolarHBondContact O-N 3.04Å
58V98.6Very high97.7Very high13 Ų1380.2 Ų80.28%0.07941%0.41CS..EExtended strand (participates in β ladder)trans-129.4132.4175.2-177.90000107.6E35 V38 A39 I42 R81 A82 F83E35-V58 HydrophobicContact CB-CB 4.31Å; E35-V58 HydrophobicContact CB-CG1 4.25Å; E35-V58 HydrophobicContact CG-CG1 4.29Å; V38-V58 HydrophobicContact CG1-CG1 4.27Å; V38-V58 HydrophobicContact CG1-CG2 4.07Å; A39-V58 HydrophobicContact CB-CB 4.36Å; A39-V58 HydrophobicContact CB-CG2 3.83Å; I42-V58 HydrophobicContact CD1-CG2 4.42Å; V58-R81 HydrophobicContact CG1-CB 4.42Å; V58-A82 WeakPolarHBondContact CA-O 3.33Å; V58-F83 HydrophobicContact CB-CD1 4.48Å; V58-F83 HydrophobicContact CB-CE1 4.43Å; V58-F83 HydrophobicContact CG1-CD1 4.22Å; V58-F83 HydrophobicContact CG1-CE1 3.82Å; V58-F83 HydrophobicContact CG1-CZ 3.97Å; V58-F83 HydrophobicContact CG2-CD1 3.56Å; V58-F83 HydrophobicContact CG2-CE1 3.69Å; V58-F83 HydrophobicContact CG2-CG 4.42Å
59G97.9Very high97.6Very high6 Ų674.8 Ų74.86%0.06239%0.392CS..EExtended strand (participates in β ladder)trans-174.3158.6-179.400000113.4E35 A82E35-G59 WeakPolarHBondContact OE1-CA 3.15Å; G59-A82 PolarHBondContact N-O 3.45Å; G59-A82 VanDerWaalsContact N-O 3.08Å; G59-A82 WeakPolarHBondContact O-CB 3.42Å; G59-A82 PolarHBondContact O-N 2.79Å
60K96.6Very high97.6Very high92 Ų9274.8 Ų74.840%0.440%0.401SS..SBendtrans-77.2-35.2170-61.8-161.8179.6-161.30113.1E35 E80E35-K60 PolarHBondContact OE1-N 3.45Å; K60-E80 IonicContact NZ-OE2 3.5Å; K60-E80 PolarHBondContact NZ-OE2 2.83Å
61H94.8Very high97.6Very high179 Ų17977.5 Ų77.583%0.82942%0.415SS*.SBendtrans-140105.8-175-55.1-64.5000110.5
62F97.7Very high97.7Very high61 Ų6174.1 Ų74.127%0.26840%0.396SS..  trans-153.4155.7170.665.2-91.4000110.9I57 Y75 A82 L84I57-F62 HydrophobicContact CG2-CD1 4.4Å; I57-F62 HydrophobicContact CG2-CD2 4.32Å; I57-F62 HydrophobicContact CG2-CE1 4.32Å; I57-F62 HydrophobicContact CG2-CE2 4.27Å; I57-F62 HydrophobicContact CG2-CG 4.39Å; I57-F62 HydrophobicContact CG2-CZ 4.26Å; F62-Y75 HydrophobicContact CE2-CE2 4.25Å; F62-Y75 AromaticContact CZ-CE2 3.95Å; F62-Y75 HydrophobicContact CZ-CE2 3.95Å; F62-A82 HydrophobicContact CD1-CB 4.5Å; F62-A82 HydrophobicContact CE1-CB 3.55Å; F62-A82 HydrophobicContact CZ-CB 3.87Å; F62-L84 HydrophobicContact CE2-CB 4.08Å; F62-L84 HydrophobicContact CE2-CD2 4.5Å; F62-L84 HydrophobicContact CZ-CB 4.1Å
63G96.9Very high97.7Very high78 Ų7871.7 Ų71.780%0.80438%0.378SS*.  trans-115.4148.3163.100000108.9
64S96.8Very high97.8Very high57 Ų5767.9 Ų67.940%0.39936%0.358SS..  trans-138.9141.9-179.460.20000111.1L84S64-L84 WeakPolarHBondContact OG-CD2 3.31Å
65Y97.3Very high97.8Very high233 Ų23370.3 Ų70.391%0.91437%0.367SS*.  trans-129.2101.6167.8-162.7-82.3000107.4
66V97.6Very high97.8Very high47 Ų4767 Ų6729%0.28535%0.352SS..  trans-129.8148.3-170.3-59.70000111.3F73 L84 F86V66-F73 HydrophobicContact CG2-CE2 4.07Å; V66-L84 HydrophobicContact CG1-CD2 4.41Å; V66-L84 HydrophobicContact CG2-CD2 4.28Å; V66-F86 HydrophobicContact CB-CE1 4.25Å; V66-F86 HydrophobicContact CB-CE2 4.08Å; V66-F86 HydrophobicContact CB-CZ 3.9Å; V66-F86 HydrophobicContact CG1-CE1 4.01Å; V66-F86 HydrophobicContact CG1-CE2 4.45Å; V66-F86 HydrophobicContact CG1-CZ 3.78Å; V66-F86 HydrophobicContact CG2-CD1 4.2Å; V66-F86 HydrophobicContact CG2-CD2 4.44Å; V66-F86 HydrophobicContact CG2-CE1 4.15Å; V66-F86 HydrophobicContact CG2-CE2 4.39Å; V66-F86 HydrophobicContact CG2-CG 4.35Å; V66-F86 HydrophobicContact CG2-CZ 4.24Å
67T98Very high97.7Very high116 Ų11669.5 Ų69.571%0.71236%0.359SS*.  trans-102.8134.3169.2-54.70000108.9S88T67-S88 PolarHBondContact O-OG 2.77Å
68H98Very high97.6Very high65 Ų6566.4 Ų66.430%0.30134%0.343SS..  trans-131.4158.1-177.759-90.4000111.8D12 F73 F86 K87D12-H68 IonicContact OD2-NE2 2.63Å; H68-F73 HydrophobicContact CB-CB 4.36Å; H68-F73 HydrophobicContact CB-CD2 4.31Å; H68-F73 WeakPolarHBondContact CD2-CB 3.35Å; H68-F73 AromaticContact CE1-CD2 3.63Å; H68-F73 AromaticContact CE1-CG 3.66Å; H68-F73 AromaticContact CG-CD2 3.76Å; H68-F73 AromaticContact ND1-CD2 3.35Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.42Å; H68-F73 AromaticContact ND1-CG 3.81Å; H68-F73 WeakPolarHBondContact NE2-CB 3.38Å; H68-F73 AromaticContact NE2-CG 3.81Å; H68-F86 HydrophobicContact CB-CB 3.89Å; H68-F86 HydrophobicContact CB-CD2 3.99Å; H68-F86 HydrophobicContact CB-CG 4.34Å; H68-K87 CarbonylContact C-O 3.49Å; H68-K87 VanDerWaalsContact CA-O 3.23Å; H68-K87 WeakPolarHBondContact CA-O 3.48Å; H68-K87 WeakPolarHBondContact CB-O 3.14Å
69E97.8Very high97.2Very high55 Ų5571.3 Ų71.326%0.25737%0.365SS..  trans-65.8139.1167.4-69.6171.5-131.300110.4H72 K87E69-H72 HydrophobicContact CB-CB 4.48Å; E69-H72 PolarHBondContact O-N 3.4Å; E69-K87 PolarHBondContact N-O 2.86Å; E69-K87 VanDerWaalsContact OE1-CE 3.29Å; E69-K87 WeakPolarHBondContact OE1-CE 3.45Å; E69-K87 WeakPolarHBondContact OE1-CG 3.34Å; E69-K87 IonicContact OE1-NZ 2.73Å; E69-K87 VanDerWaalsContact OE2-CD 3.31Å; E69-K87 WeakPolarHBondContact OE2-CD 3.23Å; E69-K87 WeakPolarHBondContact OE2-CE 3.12Å; E69-K87 IonicContact OE2-NZ 3.9Å; E69-K87 PolarHBondContact OE2-NZ 2.76Å
70T97.4Very high97Very high108 Ų10877.4 Ų77.466%0.66339%0.392SS*.THydrogen-bonded Turntrans-50.8139.8176.2-56.40000111.8H72T70-H72 PolarHBondContact O-N 3.13Å; T70-H72 PolarHBondContact O-ND1 3.2Å
71Q97.6Very high96.9Very high95 Ų9575.5 Ų75.544%0.44438%0.382SS..THydrogen-bonded Turntrans64.416.7-179.8-67.7176.6-20.900115.9D12 M13D12-Q71 VanDerWaalsContact CG-N 3.33Å; D12-Q71 CarbonylContact O-C 3.45Å; D12-Q71 WeakPolarHBondContact O-CA 3.34Å; D12-Q71 PolarHBondContact OD1-N 3.01Å; D12-Q71 PolarHBondContact OD2-N 3.37Å; M13-Q71 WeakPolarHBondContact CA-O 3.31Å; M13-Q71 VanDerWaalsContact CB-O 3.23Å; M13-Q71 WeakPolarHBondContact CB-O 3.36Å
72H98.4Very high97.1Very high42 Ų4267 Ų6719%0.19434%0.343CS..  trans-131.747.1179.7-59.383.7000112.8D12 W54 E69 T70 F86 K87D12-H72 PolarHBondContact O-N 3.04Å; W54-H72 HydrophobicContact CH2-CB 3.88Å; W54-H72 AromaticContact CH2-CD2 3.88Å; W54-H72 HydrophobicContact CZ2-CB 4.37Å; W54-H72 AromaticContact CZ2-CD2 3.63Å; W54-H72 HydrophobicContact CZ3-CB 4.31Å; E69-H72 HydrophobicContact CB-CB 4.48Å; E69-H72 PolarHBondContact O-N 3.4Å; T70-H72 PolarHBondContact O-N 3.13Å; T70-H72 PolarHBondContact O-ND1 3.2Å; H72-F86 CarbonylContact O-C 3.57Å; H72-F86 WeakPolarHBondContact O-CA 3.41Å; H72-K87 HydrophobicContact CB-CB 3.47Å; H72-K87 VanDerWaalsContact CB-CB 3.47Å; H72-K87 HydrophobicContact CB-CD 4.37Å; H72-K87 PolarHBondContact O-N 2.96Å
73F98.6Very high97.1Very high19 Ų1964.2 Ų64.28%0.08333%0.33CS..EExtended strand (participates in β ladder)trans-138.4135.5178.3174.9-81.4000113.3N10 A11 D12 V66 H68 L84 F86N10-F73 HydrophobicContact CB-CE1 4.12Å; A11-F73 CarbonylContact C-O 3.56Å; A11-F73 WeakPolarHBondContact CA-O 3.39Å; D12-F73 CarbonylContact C-O 3.57Å; D12-F73 HydrophobicContact CB-CB 4.31Å; D12-F73 PolarHBondContact N-O 2.82Å; D12-F73 PolarHBondContact O-N 3.31Å; V66-F73 HydrophobicContact CG2-CE2 4.07Å; H68-F73 HydrophobicContact CB-CB 4.36Å; H68-F73 HydrophobicContact CB-CD2 4.31Å; H68-F73 WeakPolarHBondContact CD2-CB 3.35Å; H68-F73 AromaticContact CE1-CD2 3.63Å; H68-F73 AromaticContact CE1-CG 3.66Å; H68-F73 AromaticContact CG-CD2 3.76Å; H68-F73 AromaticContact ND1-CD2 3.35Å; H68-F73 WeakPolarHBondContact ND1-CD2 3.42Å; H68-F73 AromaticContact ND1-CG 3.81Å; H68-F73 WeakPolarHBondContact NE2-CB 3.38Å; H68-F73 AromaticContact NE2-CG 3.81Å; F73-L84 HydrophobicContact CD2-CD1 4.48Å; F73-L84 HydrophobicContact CE2-CD1 3.51Å; F73-L84 HydrophobicContact CZ-CD1 3.56Å; F73-F86 HydrophobicContact CB-CB 4.38Å; F73-F86 HydrophobicContact CD2-CB 3.72Å; F73-F86 HydrophobicContact CG-CB 4.46Å
74I98.8Very high97.2Very high0 Ų060.5 Ų60.50%029%0.292CS..EExtended strand (participates in β ladder)trans-146.7138.5170.4-167.9179.6000111.4I8 A11 M13 Q18 A21 F76 L85I8-I74 HydrophobicContact CD1-CD1 4.41Å; I8-I74 HydrophobicContact CG2-CG1 4.4Å; A11-I74 HydrophobicContact CB-CB 4.5Å; A11-I74 HydrophobicContact CB-CG1 4.08Å; M13-I74 HydrophobicContact CE-CB 3.86Å; M13-I74 HydrophobicContact CE-CG2 3.77Å; M13-I74 HydrophobicContact CG-CB 4.43Å; M13-I74 HydrophobicContact SD-CB 3.75Å; M13-I74 HydrophobicContact SD-CD1 4.29Å; M13-I74 HydrophobicContact SD-CG1 4.49Å; M13-I74 HydrophobicContact SD-CG2 3.92Å; Q18-I74 HydrophobicContact CB-CD1 3.87Å; Q18-I74 HydrophobicContact CG-CD1 3.96Å; A21-I74 HydrophobicContact CB-CD1 4.15Å; A21-I74 HydrophobicContact CB-CG2 4.01Å; I74-F76 HydrophobicContact CD1-CD1 3.81Å; I74-F76 HydrophobicContact CD1-CE1 4.29Å; I74-F76 HydrophobicContact CG1-CD1 3.89Å; I74-F76 HydrophobicContact CG2-CD1 4.3Å; I74-F76 HydrophobicContact CG2-CE1 4.28Å; I74-L85 HydrophobicContact CG2-CB 3.8Å; I74-L85 HydrophobicContact CG2-CD2 4.2Å; I74-L85 HydrophobicContact CG2-CG 4.36Å; I74-L85 PolarHBondContact N-O 3.31Å; I74-L85 PolarHBondContact O-N 2.95Å
75Y98.6Very high97.3Very high50 Ų5057.9 Ų57.920%0.19627%0.274CS..EExtended strand (participates in β ladder)trans-127.6118.3171.5178.7-124.2000109.9K9 N10 F62 Y77 A82 F83 L84K9-Y75 HydrophobicContact CB-CD1 3.5Å; K9-Y75 HydrophobicContact CB-CE1 3.83Å; K9-Y75 HydrophobicContact CB-CG 4.43Å; K9-Y75 HydrophobicContact CG-CD1 4.22Å; K9-Y75 HydrophobicContact CG-CE1 4.09Å; K9-Y75 PolarHBondContact N-O 3.01Å; N10-Y75 PolarHBondContact N-O 2.84Å; N10-Y75 VanDerWaalsContact N-O 3.1Å; N10-Y75 PolarHBondContact O-N 3.23Å; F62-Y75 HydrophobicContact CE2-CE2 4.25Å; F62-Y75 AromaticContact CZ-CE2 3.95Å; F62-Y75 HydrophobicContact CZ-CE2 3.95Å; Y75-Y77 HydrophobicContact CE1-CE2 4.18Å; Y75-Y77 AromaticContact CZ-CE2 3.79Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.3Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.18Å; Y75-Y77 PolarHBondContact OH-OH 3.17Å; Y75-Y77 VanDerWaalsContact OH-OH 3.12Å; Y75-A82 HydrophobicContact CE2-CB 3.92Å; Y75-F83 WeakPolarHBondContact CA-O 3.43Å; Y75-F83 WeakPolarHBondContact CD2-O 3.26Å; Y75-L84 HydrophobicContact CD2-CB 4.26Å; Y75-L84 HydrophobicContact CD2-CD1 4.05Å; Y75-L84 HydrophobicContact CG-CD1 4.33Å
76F98.5Very high97.4Very high2 Ų247.6 Ų47.61%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-147.1160.3-177.268.1-82.8000112.5A6 V7 I8 A21 V22 A25 I74 L78 F83A6-F76 HydrophobicContact CB-CD2 4.39Å; V7-F76 CarbonylContact O-C 3.37Å; V7-F76 VanDerWaalsContact O-CA 3.32Å; V7-F76 WeakPolarHBondContact O-CA 3.28Å; I8-F76 HydrophobicContact CB-CB 4.4Å; I8-F76 HydrophobicContact CG1-CB 4.13Å; A21-F76 HydrophobicContact CB-CE1 4.27Å; V22-F76 HydrophobicContact CG2-CD2 4.16Å; V22-F76 HydrophobicContact CG2-CE2 4.1Å; V22-F76 HydrophobicContact CG2-CZ 4.41Å; A25-F76 HydrophobicContact CB-CE2 3.97Å; A25-F76 HydrophobicContact CB-CZ 3.65Å; I74-F76 HydrophobicContact CD1-CD1 3.81Å; I74-F76 HydrophobicContact CD1-CE1 4.29Å; I74-F76 HydrophobicContact CG1-CD1 3.89Å; I74-F76 HydrophobicContact CG2-CD1 4.3Å; I74-F76 HydrophobicContact CG2-CE1 4.28Å; F76-L78 HydrophobicContact CD2-CB 4.43Å; F76-L78 HydrophobicContact CE2-CB 4.23Å; F76-F83 HydrophobicContact CD1-CB 3.94Å; F76-F83 HydrophobicContact CD2-CB 4.27Å; F76-F83 HydrophobicContact CD2-CD2 4.33Å; F76-F83 HydrophobicContact CE1-CB 3.57Å; F76-F83 HydrophobicContact CE1-CG 4.31Å; F76-F83 HydrophobicContact CE2-CB 3.92Å; F76-F83 AromaticContact CE2-CD2 3.91Å; F76-F83 HydrophobicContact CE2-CD2 3.91Å; F76-F83 AromaticContact CE2-CG 3.89Å; F76-F83 HydrophobicContact CE2-CG 3.89Å; F76-F83 HydrophobicContact CG-CB 4.29Å; F76-F83 HydrophobicContact CZ-CB 3.57Å; F76-F83 HydrophobicContact CZ-CD1 4.24Å; F76-F83 HydrophobicContact CZ-CD2 4.3Å; F76-F83 AromaticContact CZ-CG 3.79Å; F76-F83 HydrophobicContact CZ-CG 3.79Å; F76-F83 PolarHBondContact N-O 3.4Å; F76-F83 PolarHBondContact O-N 2.89Å
77Y97.7Very high97.4Very high76 Ų7646.7 Ų46.730%0.29823%0.226SC..EExtended strand (participates in β ladder)trans-104140.8170.4-79.1-101.1000110.4A6 V7 K9 Y75 R81 A82A6-Y77 CarbonylContact C-O 3.55Å; A6-Y77 WeakPolarHBondContact CA-O 3.46Å; V7-Y77 PolarHBondContact N-O 2.85Å; V7-Y77 PolarHBondContact O-N 3.07Å; K9-Y77 HydrophobicContact CG-CD2 3.79Å; K9-Y77 HydrophobicContact CG-CE2 4.05Å; Y75-Y77 HydrophobicContact CE1-CE2 4.18Å; Y75-Y77 AromaticContact CZ-CE2 3.79Å; Y75-Y77 VanDerWaalsContact OH-CE2 3.3Å; Y75-Y77 WeakPolarHBondContact OH-CE2 3.18Å; Y75-Y77 PolarHBondContact OH-OH 3.17Å; Y75-Y77 VanDerWaalsContact OH-OH 3.12Å; Y77-R81 WeakPolarHBondContact CA-O 3.47Å; Y77-A82 HydrophobicContact CD1-CB 4.04Å; Y77-A82 HydrophobicContact CD2-CB 4.46Å; Y77-A82 HydrophobicContact CE1-CB 3.65Å; Y77-A82 HydrophobicContact CE2-CB 4.11Å; Y77-A82 HydrophobicContact CG-CB 4.44Å
78L96.2Very high97.4Very high0 Ų043.2 Ų43.20%021%0.207CC..EExtended strand (participates in β ladder)trans-135.5119168.1-169.863000108R4 A6 A25 A26 L29 F76 E80 R81 F83R4-L78 HydrophobicContact CB-CD1 3.69Å; R4-L78 HydrophobicContact CB-CG 4.35Å; A6-L78 HydrophobicContact CB-CD1 4.06Å; A25-L78 HydrophobicContact CB-CD2 4.29Å; A26-L78 HydrophobicContact CB-CD2 4.04Å; L29-L78 HydrophobicContact CD1-CD2 3.69Å; L29-L78 HydrophobicContact CD1-CG 4.06Å; F76-L78 HydrophobicContact CD2-CB 4.43Å; F76-L78 HydrophobicContact CE2-CB 4.23Å; L78-E80 PolarHBondContact O-N 2.83Å; L78-R81 PolarHBondContact N-O 2.99Å; L78-R81 PolarHBondContact O-N 3.5Å; L78-F83 HydrophobicContact CB-CD2 4.15Å; L78-F83 HydrophobicContact CB-CE2 3.71Å
79Q90.6Very high97.1Very high116 Ų11645.1 Ų45.154%0.54224%0.243SC..THydrogen-bonded Turntrans56.4-127.4-166.7-53.8176.3-36.300110.6R4R4-Q79 HydrophobicContact CG-CG 4.42Å
80E92.1Very high97.1Very high134 Ų13444.6 Ų44.663%0.62624%0.243SC*.THydrogen-bonded Turntrans-94.87.4179.1-60179.4179.200113.4K60 L78K60-E80 IonicContact NZ-OE2 3.5Å; K60-E80 PolarHBondContact NZ-OE2 2.83Å; L78-E80 PolarHBondContact O-N 2.83Å
81R95.8Very high97Very high53 Ų5341.3 Ų41.320%0.222%0.221CC..EExtended strand (participates in β ladder)trans-111.1134.6-174.3-66.3173.1-179-175.4-5110.1E33 V58 Y77 L78 F83E33-R81 PolarHBondContact O-NH1 2.63Å; E33-R81 PolarHBondContact O-NH2 3.09Å; V58-R81 HydrophobicContact CG1-CB 4.42Å; Y77-R81 WeakPolarHBondContact CA-O 3.47Å; L78-R81 PolarHBondContact N-O 2.99Å; L78-R81 PolarHBondContact O-N 3.5Å; R81-F83 HydrophobicContact CB-CE2 3.73Å; R81-F83 HydrophobicContact CB-CZ 4.24Å; R81-F83 WeakPolarHBondContact O-CD2 3.43Å; R81-F83 WeakPolarHBondContact O-CE2 3.2Å
82A98.1Very high97Very high1 Ų138.3 Ų38.31%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-91.2143.2170.200000110.1V58 G59 F62 Y75 Y77V58-A82 WeakPolarHBondContact CA-O 3.33Å; G59-A82 PolarHBondContact N-O 3.45Å; G59-A82 VanDerWaalsContact N-O 3.08Å; G59-A82 WeakPolarHBondContact O-CB 3.42Å; G59-A82 PolarHBondContact O-N 2.79Å; F62-A82 HydrophobicContact CD1-CB 4.5Å; F62-A82 HydrophobicContact CE1-CB 3.55Å; F62-A82 HydrophobicContact CZ-CB 3.87Å; Y75-A82 HydrophobicContact CE2-CB 3.92Å; Y77-A82 HydrophobicContact CD1-CB 4.04Å; Y77-A82 HydrophobicContact CD2-CB 4.46Å; Y77-A82 HydrophobicContact CE1-CB 3.65Å; Y77-A82 HydrophobicContact CE2-CB 4.11Å; Y77-A82 HydrophobicContact CG-CB 4.44Å
83F98.6Very high96.9Very high1 Ų138.1 Ų38.10%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-125.7120.7-178.8-67.1-101.8000108.2A25 L29 V38 I42 I57 V58 Y75 F76 L78 R81A25-F83 HydrophobicContact CB-CD1 3.85Å; A25-F83 HydrophobicContact CB-CE1 3.7Å; A25-F83 HydrophobicContact CB-CG 4.47Å; A25-F83 HydrophobicContact CB-CZ 4.22Å; L29-F83 HydrophobicContact CD1-CZ 4.01Å; L29-F83 HydrophobicContact CD2-CZ 4.1Å; L29-F83 HydrophobicContact CG-CZ 4.11Å; V38-F83 HydrophobicContact CG1-CE1 3.73Å; V38-F83 HydrophobicContact CG1-CZ 4.34Å; I42-F83 HydrophobicContact CD1-CD1 3.67Å; I42-F83 HydrophobicContact CD1-CE1 3.72Å; I57-F83 WeakPolarHBondContact O-CA 3.47Å; V58-F83 HydrophobicContact CB-CD1 4.48Å; V58-F83 HydrophobicContact CB-CE1 4.43Å; V58-F83 HydrophobicContact CG1-CD1 4.22Å; V58-F83 HydrophobicContact CG1-CE1 3.82Å; V58-F83 HydrophobicContact CG1-CZ 3.97Å; V58-F83 HydrophobicContact CG2-CD1 3.56Å; V58-F83 HydrophobicContact CG2-CE1 3.69Å; V58-F83 HydrophobicContact CG2-CG 4.42Å; Y75-F83 WeakPolarHBondContact CA-O 3.43Å; Y75-F83 WeakPolarHBondContact CD2-O 3.26Å; F76-F83 HydrophobicContact CD1-CB 3.94Å; F76-F83 HydrophobicContact CD2-CB 4.27Å; F76-F83 HydrophobicContact CD2-CD2 4.33Å; F76-F83 HydrophobicContact CE1-CB 3.57Å; F76-F83 HydrophobicContact CE1-CG 4.31Å; F76-F83 HydrophobicContact CE2-CB 3.92Å; F76-F83 AromaticContact CE2-CD2 3.91Å; F76-F83 HydrophobicContact CE2-CD2 3.91Å; F76-F83 AromaticContact CE2-CG 3.89Å; F76-F83 HydrophobicContact CE2-CG 3.89Å; F76-F83 HydrophobicContact CG-CB 4.29Å; F76-F83 HydrophobicContact CZ-CB 3.57Å; F76-F83 HydrophobicContact CZ-CD1 4.24Å; F76-F83 HydrophobicContact CZ-CD2 4.3Å; F76-F83 AromaticContact CZ-CG 3.79Å; F76-F83 HydrophobicContact CZ-CG 3.79Å; F76-F83 PolarHBondContact N-O 3.4Å; F76-F83 PolarHBondContact O-N 2.89Å; L78-F83 HydrophobicContact CB-CD2 4.15Å; L78-F83 HydrophobicContact CB-CE2 3.71Å; R81-F83 HydrophobicContact CB-CE2 3.73Å; R81-F83 HydrophobicContact CB-CZ 4.24Å; R81-F83 WeakPolarHBondContact O-CD2 3.43Å; R81-F83 WeakPolarHBondContact O-CE2 3.2Å
84L98.8Very high96.8Very high1 Ų139.3 Ų39.31%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-112.8119.3169.8-176.771.5000107.8C56 I57 F62 S64 V66 F73 Y75 F86C56-L84 CarbonylContact C-O 2.87Å; C56-L84 VanDerWaalsContact CA-O 3.31Å; C56-L84 WeakPolarHBondContact CA-O 3.29Å; I57-L84 HydrophobicContact CB-CB 4.19Å; I57-L84 HydrophobicContact CD1-CD2 3.94Å; I57-L84 HydrophobicContact CG1-CD2 4.45Å; I57-L84 PolarHBondContact N-O 2.85Å; I57-L84 PolarHBondContact O-N 3.04Å; F62-L84 HydrophobicContact CE2-CB 4.08Å; F62-L84 HydrophobicContact CE2-CD2 4.5Å; F62-L84 HydrophobicContact CZ-CB 4.1Å; S64-L84 WeakPolarHBondContact OG-CD2 3.31Å; V66-L84 HydrophobicContact CG1-CD2 4.41Å; V66-L84 HydrophobicContact CG2-CD2 4.28Å; F73-L84 HydrophobicContact CD2-CD1 4.48Å; F73-L84 HydrophobicContact CE2-CD1 3.51Å; F73-L84 HydrophobicContact CZ-CD1 3.56Å; Y75-L84 HydrophobicContact CD2-CB 4.26Å; Y75-L84 HydrophobicContact CD2-CD1 4.05Å; Y75-L84 HydrophobicContact CG-CD1 4.33Å; L84-F86 HydrophobicContact CD2-CD1 4.17Å; L84-F86 HydrophobicContact CD2-CE1 4.06Å; L84-F86 HydrophobicContact CG-CD1 4.02Å; L84-F86 HydrophobicContact CG-CE1 4.37Å
85L98.8Very high96.7Very high2 Ų241.9 Ų41.91%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-130.4122.8-179.7175.466.5000108.4A21 I42 F46 W54 H55 C56 I74A21-L85 HydrophobicContact CB-CD2 3.99Å; I42-L85 HydrophobicContact CG2-CD1 3.98Å; I42-L85 HydrophobicContact CG2-CD2 3.84Å; I42-L85 HydrophobicContact CG2-CG 4.47Å; F46-L85 HydrophobicContact CD1-CD2 3.66Å; F46-L85 HydrophobicContact CD1-CG 4.34Å; F46-L85 HydrophobicContact CD2-CD2 3.89Å; F46-L85 HydrophobicContact CE1-CD2 3.51Å; F46-L85 HydrophobicContact CE2-CD2 3.75Å; F46-L85 HydrophobicContact CG-CD1 4.37Å; F46-L85 HydrophobicContact CG-CD2 3.86Å; F46-L85 HydrophobicContact CZ-CD2 3.57Å; W54-L85 HydrophobicContact CB-CD1 4.49Å; W54-L85 HydrophobicContact CD2-CD1 4.49Å; W54-L85 HydrophobicContact CE3-CD1 3.69Å; W54-L85 HydrophobicContact CE3-CD2 4.45Å; W54-L85 HydrophobicContact CE3-CG 3.76Å; W54-L85 HydrophobicContact CZ3-CD1 4.37Å; W54-L85 HydrophobicContact CZ3-CD2 4.4Å; W54-L85 HydrophobicContact CZ3-CG 3.91Å; H55-L85 WeakPolarHBondContact O-CA 3.38Å; H55-L85 WeakPolarHBondContact O-CD1 3.38Å; C56-L85 HydrophobicContact CB-CD1 4.02Å; I74-L85 HydrophobicContact CG2-CB 3.8Å; I74-L85 HydrophobicContact CG2-CD2 4.2Å; I74-L85 HydrophobicContact CG2-CG 4.36Å; I74-L85 PolarHBondContact N-O 3.31Å; I74-L85 PolarHBondContact O-N 2.95Å
86F98.8Very high96.6Very high17 Ų1741.3 Ų41.38%0.07523%0.234CC..EExtended strand (participates in β ladder)trans-151.2156.2-178.167.3-81.9000112.2W54 H55 V66 H68 H72 F73 L84W54-F86 CarbonylContact C-O 3.52Å; H55-F86 HydrophobicContact CB-CD1 4.07Å; H55-F86 HydrophobicContact CB-CD2 4.24Å; H55-F86 HydrophobicContact CB-CE1 3.62Å; H55-F86 HydrophobicContact CB-CE2 3.81Å; H55-F86 HydrophobicContact CB-CG 4.37Å; H55-F86 HydrophobicContact CB-CZ 3.47Å; H55-F86 VanDerWaalsContact CB-CZ 3.47Å; H55-F86 AromaticContact CD2-CE2 3.71Å; H55-F86 AromaticContact CG-CE2 3.87Å; H55-F86 AromaticContact CG-CZ 3.89Å; H55-F86 PolarHBondContact N-O 3.38Å; H55-F86 PolarHBondContact O-N 2.96Å; V66-F86 HydrophobicContact CB-CE1 4.25Å; V66-F86 HydrophobicContact CB-CE2 4.08Å; V66-F86 HydrophobicContact CB-CZ 3.9Å; V66-F86 HydrophobicContact CG1-CE1 4.01Å; V66-F86 HydrophobicContact CG1-CE2 4.45Å; V66-F86 HydrophobicContact CG1-CZ 3.78Å; V66-F86 HydrophobicContact CG2-CD1 4.2Å; V66-F86 HydrophobicContact CG2-CD2 4.44Å; V66-F86 HydrophobicContact CG2-CE1 4.15Å; V66-F86 HydrophobicContact CG2-CE2 4.39Å; V66-F86 HydrophobicContact CG2-CG 4.35Å; V66-F86 HydrophobicContact CG2-CZ 4.24Å; H68-F86 HydrophobicContact CB-CB 3.89Å; H68-F86 HydrophobicContact CB-CD2 3.99Å; H68-F86 HydrophobicContact CB-CG 4.34Å; H72-F86 CarbonylContact O-C 3.57Å; H72-F86 WeakPolarHBondContact O-CA 3.41Å; F73-F86 HydrophobicContact CB-CB 4.38Å; F73-F86 HydrophobicContact CD2-CB 3.72Å; F73-F86 HydrophobicContact CG-CB 4.46Å; L84-F86 HydrophobicContact CD2-CD1 4.17Å; L84-F86 HydrophobicContact CD2-CE1 4.06Å; L84-F86 HydrophobicContact CG-CD1 4.02Å; L84-F86 HydrophobicContact CG-CE1 4.37Å
87K98.6Very high96.4Very high28 Ų2844.3 Ų44.312%0.12225%0.251CS..EExtended strand (participates in β ladder)trans-103.1136.8174.6-161.3-173.6166.1-153.70110.9P52 N53 W54 H68 E69 H72P52-K87 WeakPolarHBondContact O-CE 3.36Å; N53-K87 WeakPolarHBondContact O-CA 3.33Å; N53-K87 WeakPolarHBondContact O-CG 3Å; W54-K87 HydrophobicContact CD2-CB 4.08Å; W54-K87 HydrophobicContact CD2-CG 4.38Å; W54-K87 HydrophobicContact CE3-CB 4.18Å; W54-K87 HydrophobicContact CG-CG 4.47Å; W54-K87 HydrophobicContact CZ2-CB 4.48Å; W54-K87 HydrophobicContact CZ3-CB 4.41Å; H68-K87 CarbonylContact C-O 3.49Å; H68-K87 VanDerWaalsContact CA-O 3.23Å; H68-K87 WeakPolarHBondContact CA-O 3.48Å; H68-K87 WeakPolarHBondContact CB-O 3.14Å; E69-K87 PolarHBondContact N-O 2.86Å; E69-K87 VanDerWaalsContact OE1-CE 3.29Å; E69-K87 WeakPolarHBondContact OE1-CE 3.45Å; E69-K87 WeakPolarHBondContact OE1-CG 3.34Å; E69-K87 IonicContact OE1-NZ 2.73Å; E69-K87 VanDerWaalsContact OE2-CD 3.31Å; E69-K87 WeakPolarHBondContact OE2-CD 3.23Å; E69-K87 WeakPolarHBondContact OE2-CE 3.12Å; E69-K87 IonicContact OE2-NZ 3.9Å; E69-K87 PolarHBondContact OE2-NZ 2.76Å; H72-K87 HydrophobicContact CB-CB 3.47Å; H72-K87 VanDerWaalsContact CB-CB 3.47Å; H72-K87 HydrophobicContact CB-CD 4.37Å; H72-K87 PolarHBondContact O-N 2.96Å
88S97.2Very high96.3Very high43 Ų4341.7 Ų41.730%0.30125%0.247SC..  trans-160124.5178.8-170.50000109.9N53 H55 T67N53-S88 PolarHBondContact O-N 3.12Å; H55-S88 PolarHBondContact NE2-O 3.19Å; T67-S88 PolarHBondContact O-OG 2.77Å
89G92.3Very high96.3Very high104 Ų10445.5 Ų45.5100%1.07227%0.27SS*.  trans146.60179.800000110.7

Retrieved 89 of 89 residues in 32.7 ms (Link to these results)

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