A0A5K4F4R8_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A5K4F4R8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 92 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
1M43.8Very low75.4Confident234 Ų234111.2 Ų111.2100%1.15361%0.611SS**  0105.50-164.6169-175.800105.6T3M1-T3 PolarHBondContact O-N 3.47Å
2M48.3Very low77.2Confident193 Ų193109.8 Ų109.895%0.95160%0.595SS**  trans-71.2103.1179.7-67.6-157.2-108.700106.8S4M2-S4 PolarHBondContact O-N 3.12Å
3T56Low78.7Confident120 Ų120113.8 Ų113.874%0.73660%0.598SS**  trans-66.784.2161.750.90000105M1 D5M1-T3 PolarHBondContact O-N 3.47Å; T3-D5 PolarHBondContact O-N 3.3Å
4S61.2Low80Confident89 Ų89110.4 Ų110.462%0.62258%0.584SS**  trans-52.9119.1164.3-173.60000104.8M2 K6M2-S4 PolarHBondContact O-N 3.12Å; S4-K6 PolarHBondContact O-N 3.04Å
5D71.9Confident81.2Confident148 Ų148106.5 Ų106.579%0.79156%0.563SS**  trans-60.691.8-177.5-83.3-35.8000107.6T3 P7T3-D5 PolarHBondContact O-N 3.3Å; D5-P7 WeakPolarHBondContact O-CD 3.45Å
6K76.8Confident82.3Confident62 Ų62100.6 Ų100.627%0.2753%0.532SS..PPolyproline II helixtrans-60.3125.5-179.5176.9176.2171.1168.50106.2S4 I8 V25 D26 Y29S4-K6 PolarHBondContact O-N 3.04Å; K6-I8 PolarHBondContact O-N 3.37Å; K6-V25 PolarHBondContact NZ-O 2.68Å; K6-V25 VanDerWaalsContact NZ-O 3.14Å; K6-D26 IonicContact NZ-OD1 2.58Å; K6-D26 PolarHBondContact NZ-OD1 3.12Å; K6-Y29 HydrophobicContact CD-CD1 4.13Å; K6-Y29 HydrophobicContact CD-CG 4.15Å; K6-Y29 HydrophobicContact CG-CD1 4.33Å; K6-Y29 HydrophobicContact CG-CD2 4.15Å; K6-Y29 HydrophobicContact CG-CE1 4.37Å; K6-Y29 HydrophobicContact CG-CE2 4.19Å; K6-Y29 HydrophobicContact CG-CG 4.23Å
7P87.2Confident83.2Confident55 Ų5598.2 Ų98.236%0.35752%0.523SS..PPolyproline II helixtrans-59.4137.1-179.8-20.831.9000110.4D5 A9 Y29 L81D5-P7 WeakPolarHBondContact O-CD 3.45Å; P7-A9 PolarHBondContact O-N 2.95Å; P7-Y29 HydrophobicContact CG-CE2 4.31Å; P7-L81 HydrophobicContact CB-CD1 3.76Å; P7-L81 WeakPolarHBondContact O-CD1 3.35Å
8I92.2Very high83.9Confident159 Ų15998.8 Ų98.882%0.81553%0.531SS*.PPolyproline II helixtrans-77121.6-178.5-58.9173.9000108.4K6K6-I8 PolarHBondContact O-N 3.37Å
9A97.1Very high84.7Confident19 Ų1998.9 Ų98.916%0.15753%0.531CS..PPolyproline II helixtrans-69.7138.917400000110.8P7 V11 V25 F79 L81P7-A9 PolarHBondContact O-N 2.95Å; A9-V11 PolarHBondContact O-N 2.96Å; A9-V25 HydrophobicContact CB-CB 4.34Å; A9-V25 HydrophobicContact CB-CG1 3.63Å; A9-V25 HydrophobicContact CB-CG2 3.67Å; A9-F79 HydrophobicContact CB-CD2 4.06Å; A9-L81 HydrophobicContact CB-CB 4.15Å; A9-L81 HydrophobicContact CB-CD1 4.42Å; A9-L81 HydrophobicContact CB-CD2 4.21Å
10V97.8Very high85.3Confident83 Ų8395.2 Ų95.250%0.50351%0.511SS..EExtended strand (participates in β ladder)trans-93.297.3171.5-178.50000108F79 H80V10-F79 CarbonylContact O-C 3.59Å; V10-F79 VanDerWaalsContact O-CA 3.29Å; V10-F79 WeakPolarHBondContact O-CA 3.36Å; V10-H80 HydrophobicContact CB-CB 4.49Å; V10-H80 PolarHBondContact N-O 3.28Å; V10-H80 PolarHBondContact O-N 2.66Å
11V97.4Very high86Confident61 Ų6192.3 Ų92.337%0.3749%0.494SS..EExtended strand (participates in β ladder)trans-71.5129.2173.4-176.50000109A9 V14 I77 F79A9-V11 PolarHBondContact O-N 2.96Å; V11-V14 HydrophobicContact CG1-CB 4.16Å; V11-I77 HydrophobicContact CG1-CG1 4.43Å; V11-F79 HydrophobicContact CG2-CB 4.28Å
12K96.2Very high88.5Confident94 Ų9486 Ų8641%0.40946%0.462SS..EExtended strand (participates in β ladder)trans-108.2-49.6-175.1-74.7178.1174.6-110.30112.1F78 Y85K12-F78 HydrophobicContact CB-CD1 3.56Å; K12-F78 HydrophobicContact CB-CE1 4.02Å; K12-F78 HydrophobicContact CD-CD1 3.92Å; K12-F78 HydrophobicContact CD-CE1 3.48Å; K12-F78 VanDerWaalsContact CD-CE1 3.48Å; K12-F78 HydrophobicContact CD-CZ 4.27Å; K12-F78 HydrophobicContact CG-CD1 4.33Å; K12-F78 HydrophobicContact CG-CE1 4.36Å; K12-F78 PolarHBondContact N-O 2.72Å; K12-Y85 HydrophobicContact CD-CD1 4.48Å; K12-Y85 HydrophobicContact CD-CE1 4.04Å
13Y97Very high90.9Very high162 Ų16278.6 Ų78.664%0.63543%0.426SS*.EExtended strand (participates in β ladder)trans-138.4143.8176.8-62.9-70.8000109F78Y13-F78 AromaticContact CD2-CD1 3.82Å; Y13-F78 HydrophobicContact CD2-CD1 3.82Å; Y13-F78 HydrophobicContact CE2-CD1 4.49Å; Y13-F78 PolarHBondContact N-O 3.21Å; Y13-F78 PolarHBondContact O-N 3.11Å
14V97.6Very high92.9Very high66 Ų6672.9 Ų72.940%0.439%0.391SS..EExtended strand (participates in β ladder)trans-154.2142.8-175.769.10000111.6V11 M16 Q21 I77V11-V14 HydrophobicContact CG1-CB 4.16Å; V14-M16 HydrophobicContact CG2-CG 3.59Å; V14-Q21 HydrophobicContact CG2-CG 3.58Å; V14-I77 HydrophobicContact CG2-CB 4.39Å; V14-I77 HydrophobicContact CG2-CG1 4.14Å
15D98Very high94.7Very high52 Ų5269.2 Ų69.228%0.27837%0.365SS..EExtended strand (participates in β ladder)trans-146.272.5172.3175.522.8000106.1H71 N74 G75 F76D15-H71 IonicContact OD2-CD2 3.43Å; D15-H71 PolarHBondContact OD2-CD2 2.85Å; D15-H71 IonicContact OD2-NE2 2.94Å; D15-H71 PolarHBondContact OD2-NE2 3.27Å; D15-N74 CarbonylContact O-C 2.91Å; D15-N74 WeakPolarHBondContact O-CA 3.35Å; D15-N74 PolarHBondContact OD1-N 2.79Å; D15-N74 PolarHBondContact OD2-N 2.96Å; D15-G75 PolarHBondContact O-N 2.83Å; D15-F76 CarbonylContact C-O 3.56Å; D15-F76 HydrophobicContact CB-CB 4.22Å; D15-F76 PolarHBondContact N-O 3.43Å; D15-F76 PolarHBondContact O-N 2.97Å
16M97.7Very high95.9Very high13 Ų1365.1 Ų65.16%0.06434%0.343CS..SBendtrans-172.1158.6174.255.917558.900110.8V14 M20 Q21 W57 N74 F76 I77V14-M16 HydrophobicContact CG2-CG 3.59Å; M16-M20 HydrophobicContact CB-CB 4.26Å; M16-M20 HydrophobicContact CG-CB 4.34Å; M16-M20 HydrophobicContact SD-CB 3.87Å; M16-Q21 HydrophobicContact CG-CG 3.73Å; M16-Q21 PolarHBondContact O-NE2 3.05Å; M16-Q21 HydrophobicContact SD-CG 4.08Å; M16-W57 HydrophobicContact CE-CH2 4.05Å; M16-W57 HydrophobicContact CE-CZ3 4.04Å; M16-N74 WeakPolarHBondContact CB-O 3.48Å; M16-F76 VanDerWaalsContact CE-C 3.46Å; M16-I77 HydrophobicContact CE-CB 3.89Å; M16-I77 HydrophobicContact CE-CG2 3.84Å; M16-I77 HydrophobicContact CG-CB 4.47Å; M16-I77 HydrophobicContact SD-CB 3.76Å; M16-I77 HydrophobicContact SD-CD1 4.38Å; M16-I77 HydrophobicContact SD-CG2 3.94Å
17P97.5Very high97Very high59 Ų5963.3 Ų63.338%0.38334%0.336SS..  trans-58.4154173.7-28.738.7000115D19 M20 Q21P17-D19 VanDerWaalsContact C-N 3.32Å; P17-D19 WeakPolarHBondContact CB-OD1 3.43Å; P17-D19 PolarHBondContact O-N 3.48Å; P17-M20 HydrophobicContact CG-SD 4.49Å; P17-M20 WeakPolarHBondContact O-CB 3.44Å; P17-M20 PolarHBondContact O-N 3.05Å; P17-M20 VanDerWaalsContact O-N 3.15Å; P17-Q21 WeakPolarHBondContact O-CG 3.45Å; P17-Q21 PolarHBondContact O-N 2.88Å; P17-Q21 VanDerWaalsContact O-N 3.1Å
18V97.3Very high97.5Very high110 Ų11060.7 Ų60.767%0.66732%0.319SS*.Hα-helixtrans-62.1-35.5-174.1175.20000113.2Q21 Q22V18-Q21 WeakPolarHBondContact O-CB 3.26Å; V18-Q21 PolarHBondContact O-N 3.4Å; V18-Q22 PolarHBondContact O-N 2.85Å
19D97.5Very high97.8Very high100 Ų10055.3 Ų55.354%0.53529%0.289SS..Hα-helixtrans-61.3-45.8174.755.7-47.4000111.3P17 Q21 Q22 D23P17-D19 VanDerWaalsContact C-N 3.32Å; P17-D19 WeakPolarHBondContact CB-OD1 3.43Å; P17-D19 PolarHBondContact O-N 3.48Å; D19-Q21 VanDerWaalsContact C-N 3.29Å; D19-Q21 PolarHBondContact O-N 3.07Å; D19-Q22 PolarHBondContact O-N 2.89Å; D19-D23 PolarHBondContact O-N 3.22Å
20M98.2Very high97.8Very high24 Ų2458.9 Ų58.912%0.11830%0.302CS..Hα-helixtrans-62.6-35.6174.6-72-171.965.400112.7M16 P17 A24 Y49 Y53 W57M16-M20 HydrophobicContact CB-CB 4.26Å; M16-M20 HydrophobicContact CG-CB 4.34Å; M16-M20 HydrophobicContact SD-CB 3.87Å; P17-M20 HydrophobicContact CG-SD 4.49Å; P17-M20 WeakPolarHBondContact O-CB 3.44Å; P17-M20 PolarHBondContact O-N 3.05Å; P17-M20 VanDerWaalsContact O-N 3.15Å; M20-A24 PolarHBondContact O-N 2.89Å; M20-Y49 WeakPolarHBondContact CB-OH 3.47Å; M20-Y49 HydrophobicContact CE-CE1 3.87Å; M20-Y49 PolarHBondContact O-OH 3.14Å; M20-Y53 HydrophobicContact CE-CD1 3.83Å; M20-Y53 HydrophobicContact CE-CD2 4.3Å; M20-Y53 HydrophobicContact CE-CE1 4.07Å; M20-Y53 HydrophobicContact CE-CE2 4.5Å; M20-Y53 HydrophobicContact CE-CG 3.95Å; M20-Y53 HydrophobicContact CG-CD1 4.4Å; M20-Y53 HydrophobicContact CG-CE1 3.71Å; M20-Y53 HydrophobicContact SD-CD1 4.22Å; M20-Y53 HydrophobicContact SD-CE1 4.1Å; M20-W57 HydrophobicContact CE-CH2 3.91Å; M20-W57 HydrophobicContact CE-CZ2 3.97Å
21Q98.4Very high97.8Very high36 Ų3654.9 Ų54.917%0.16828%0.278CS..Hα-helixtrans-65-46.3175.1-60.5172.442.700111.5V14 M16 P17 V18 D19 D23 A24 V25 I77V14-Q21 HydrophobicContact CG2-CG 3.58Å; M16-Q21 HydrophobicContact CG-CG 3.73Å; M16-Q21 PolarHBondContact O-NE2 3.05Å; M16-Q21 HydrophobicContact SD-CG 4.08Å; P17-Q21 WeakPolarHBondContact O-CG 3.45Å; P17-Q21 PolarHBondContact O-N 2.88Å; P17-Q21 VanDerWaalsContact O-N 3.1Å; V18-Q21 WeakPolarHBondContact O-CB 3.26Å; V18-Q21 PolarHBondContact O-N 3.4Å; D19-Q21 VanDerWaalsContact C-N 3.29Å; D19-Q21 PolarHBondContact O-N 3.07Å; Q21-D23 VanDerWaalsContact C-N 3.33Å; Q21-A24 PolarHBondContact O-N 3.04Å; Q21-V25 WeakPolarHBondContact O-CG2 3.37Å; Q21-V25 PolarHBondContact O-N 3.46Å; Q21-V25 VanDerWaalsContact O-N 3.11Å; Q21-I77 HydrophobicContact CB-CD1 3.86Å; Q21-I77 HydrophobicContact CG-CD1 3.96Å
22Q97.5Very high97.8Very high100 Ų10052.5 Ų52.547%0.46726%0.264SS..Hα-helixtrans-62.8-43.8179.4-172.958.356.600110.6V18 D19 A24 V25 D26V18-Q22 PolarHBondContact O-N 2.85Å; D19-Q22 PolarHBondContact O-N 2.89Å; Q22-A24 VanDerWaalsContact C-N 3.35Å; Q22-A24 PolarHBondContact O-N 3.26Å; Q22-V25 PolarHBondContact O-N 3.47Å; Q22-D26 PolarHBondContact NE2-OD1 3.46Å; Q22-D26 PolarHBondContact NE2-OD2 3.44Å; Q22-D26 WeakPolarHBondContact O-CB 3.47Å; Q22-D26 PolarHBondContact O-N 3.17Å
23D98.2Very high97.7Very high39 Ų3953.5 Ų53.521%0.20927%0.27CS..Hα-helixtrans-59.4-42.2175.3-76.8-53.2000112.5D19 Q21 V25 D26 L27 Y49 K52 Y53D19-D23 PolarHBondContact O-N 3.22Å; Q21-D23 VanDerWaalsContact C-N 3.33Å; D23-V25 VanDerWaalsContact C-N 3.34Å; D23-V25 PolarHBondContact O-N 2.97Å; D23-D26 PolarHBondContact O-N 3.42Å; D23-L27 WeakPolarHBondContact O-CB 3.31Å; D23-L27 VanDerWaalsContact O-CG 3.29Å; D23-L27 WeakPolarHBondContact O-CG 3.44Å; D23-L27 PolarHBondContact O-N 2.91Å; D23-Y49 HydrophobicContact CB-CE2 4.48Å; D23-K52 IonicContact OD1-NZ 2.89Å; D23-K52 PolarHBondContact OD1-NZ 2.58Å; D23-K52 IonicContact OD2-NZ 2.65Å; D23-K52 PolarHBondContact OD2-NZ 3.14Å; D23-Y53 PolarHBondContact OD2-OH 2.85Å
24A98.7Very high97.7Very high0 Ų050.7 Ų50.70%027%0.266CS..Hα-helixtrans-63-4017700000112.2M20 Q21 Q22 F28 Y49 I77 F79 L88M20-A24 PolarHBondContact O-N 2.89Å; Q21-A24 PolarHBondContact O-N 3.04Å; Q22-A24 VanDerWaalsContact C-N 3.35Å; Q22-A24 PolarHBondContact O-N 3.26Å; A24-F28 VanDerWaalsContact O-CB 3.24Å; A24-F28 WeakPolarHBondContact O-CB 3.48Å; A24-F28 PolarHBondContact O-N 3.39Å; A24-Y49 HydrophobicContact CB-CE2 3.8Å; A24-I77 HydrophobicContact CB-CD1 4.4Å; A24-I77 HydrophobicContact CB-CG2 4.14Å; A24-F79 HydrophobicContact CB-CE1 4.3Å; A24-L88 HydrophobicContact CB-CD2 3.95Å
25V98.6Very high97.7Very high11 Ų1150.9 Ų50.97%0.06726%0.262CS..Hα-helixtrans-71.7-35.1176.8170.80000111.8K6 A9 Q21 Q22 D23 Y29 F79 L81K6-V25 PolarHBondContact NZ-O 2.68Å; K6-V25 VanDerWaalsContact NZ-O 3.14Å; A9-V25 HydrophobicContact CB-CB 4.34Å; A9-V25 HydrophobicContact CB-CG1 3.63Å; A9-V25 HydrophobicContact CB-CG2 3.67Å; Q21-V25 WeakPolarHBondContact O-CG2 3.37Å; Q21-V25 PolarHBondContact O-N 3.46Å; Q21-V25 VanDerWaalsContact O-N 3.11Å; Q22-V25 PolarHBondContact O-N 3.47Å; D23-V25 VanDerWaalsContact C-N 3.34Å; D23-V25 PolarHBondContact O-N 2.97Å; V25-Y29 VanDerWaalsContact O-CB 3.31Å; V25-Y29 WeakPolarHBondContact O-CB 3.29Å; V25-Y29 PolarHBondContact O-N 3.01Å; V25-F79 HydrophobicContact CG2-CD1 4.43Å; V25-F79 HydrophobicContact CG2-CD2 4.13Å; V25-F79 HydrophobicContact CG2-CE1 4.37Å; V25-F79 HydrophobicContact CG2-CE2 4.08Å; V25-F79 HydrophobicContact CG2-CG 4.3Å; V25-F79 HydrophobicContact CG2-CZ 4.2Å; V25-L81 HydrophobicContact CG1-CD2 3.96Å
26D97.9Very high97.6Very high63 Ų6355.6 Ų55.634%0.33728%0.28SS..Hα-helixtrans-66.9-52.2176.1-69.9-14.9000112K6 Q22 D23 F28 Y29 E30K6-D26 IonicContact NZ-OD1 2.58Å; K6-D26 PolarHBondContact NZ-OD1 3.12Å; Q22-D26 PolarHBondContact NE2-OD1 3.46Å; Q22-D26 PolarHBondContact NE2-OD2 3.44Å; Q22-D26 WeakPolarHBondContact O-CB 3.47Å; Q22-D26 PolarHBondContact O-N 3.17Å; D23-D26 PolarHBondContact O-N 3.42Å; D26-F28 PolarHBondContact O-N 3.36Å; D26-Y29 PolarHBondContact O-N 2.86Å; D26-E30 PolarHBondContact O-N 2.83Å
27L98.4Very high97.6Very high24 Ų2461.1 Ų61.113%0.12631%0.305CS..Hα-helixtrans-63-41.3175.9-69.3169.1000111.6D23 Y29 E30 G31 Y44 L45 E48 Y49D23-L27 WeakPolarHBondContact O-CB 3.31Å; D23-L27 VanDerWaalsContact O-CG 3.29Å; D23-L27 WeakPolarHBondContact O-CG 3.44Å; D23-L27 PolarHBondContact O-N 2.91Å; L27-Y29 PolarHBondContact O-N 3.19Å; L27-E30 PolarHBondContact O-N 3.46Å; L27-G31 PolarHBondContact O-N 2.96Å; L27-Y44 HydrophobicContact CB-CE1 4.43Å; L27-Y44 HydrophobicContact CD2-CE1 4.39Å; L27-Y44 VanDerWaalsContact O-CE1 3.26Å; L27-Y44 WeakPolarHBondContact O-CE1 3.32Å; L27-L45 HydrophobicContact CB-CD1 3.5Å; L27-L45 HydrophobicContact CD1-CD1 4.22Å; L27-E48 HydrophobicContact CD1-CB 3.96Å; L27-E48 HydrophobicContact CD2-CB 3.83Å; L27-E48 HydrophobicContact CD2-CG 4.17Å; L27-E48 HydrophobicContact CG-CB 4.48Å; L27-Y49 HydrophobicContact CD1-CD2 3.91Å
28F98.7Very high97.6Very high0 Ų061 Ų610%030%0.3CS..Hα-helixtrans-61.8-44.9176179.2-100.7000112A24 D26 G31 T32 I41 L45 V61 F79 L81 Y84 V86A24-F28 VanDerWaalsContact O-CB 3.24Å; A24-F28 WeakPolarHBondContact O-CB 3.48Å; A24-F28 PolarHBondContact O-N 3.39Å; D26-F28 PolarHBondContact O-N 3.36Å; F28-G31 PolarHBondContact O-N 3.06Å; F28-T32 HydrophobicContact CD1-CG2 4.18Å; F28-T32 HydrophobicContact CE1-CG2 3.61Å; F28-T32 HydrophobicContact CE2-CG2 4.06Å; F28-T32 HydrophobicContact CZ-CG2 3.52Å; F28-T32 WeakPolarHBondContact O-CG2 3.34Å; F28-T32 PolarHBondContact O-N 3.34Å; F28-I41 HydrophobicContact CD2-CG2 3.69Å; F28-I41 HydrophobicContact CE2-CG2 3.47Å; F28-I41 VanDerWaalsContact CE2-CG2 3.47Å; F28-I41 HydrophobicContact CZ-CG2 4.43Å; F28-L45 HydrophobicContact CB-CD2 4.19Å; F28-L45 HydrophobicContact CD2-CD2 4.36Å; F28-V61 HydrophobicContact CD2-CG2 4.47Å; F28-V61 HydrophobicContact CE2-CG1 3.92Å; F28-V61 HydrophobicContact CE2-CG2 3.99Å; F28-V61 HydrophobicContact CZ-CG1 4.41Å; F28-F79 HydrophobicContact CB-CE2 4.09Å; F28-F79 HydrophobicContact CB-CZ 3.74Å; F28-F79 AromaticContact CD1-CE2 3.87Å; F28-F79 HydrophobicContact CD1-CE2 3.87Å; F28-F79 HydrophobicContact CD1-CZ 4.33Å; F28-F79 HydrophobicContact CG-CE2 4Å; F28-F79 AromaticContact CG-CZ 3.99Å; F28-F79 HydrophobicContact CG-CZ 3.99Å; F28-L81 HydrophobicContact CD1-CB 4.08Å; F28-L81 HydrophobicContact CD1-CD2 3.8Å; F28-L81 HydrophobicContact CD1-CG 4.13Å; F28-L81 HydrophobicContact CE1-CB 3.95Å; F28-L81 HydrophobicContact CE1-CD2 4.33Å; F28-L81 HydrophobicContact CE1-CG 4.16Å; F28-Y84 HydrophobicContact CE1-CD2 4.5Å; F28-Y84 AromaticContact CZ-CD2 3.85Å; F28-Y84 HydrophobicContact CZ-CD2 3.85Å; F28-Y84 HydrophobicContact CZ-CG 4.04Å; F28-V86 HydrophobicContact CD1-CG2 4.07Å; F28-V86 HydrophobicContact CD2-CB 4.46Å; F28-V86 HydrophobicContact CD2-CG1 4.1Å; F28-V86 HydrophobicContact CD2-CG2 3.54Å; F28-V86 HydrophobicContact CE1-CG2 3.85Å; F28-V86 HydrophobicContact CE2-CG1 4.48Å; F28-V86 HydrophobicContact CE2-CG2 3.3Å; F28-V86 HydrophobicContact CG-CG2 3.92Å; F28-V86 HydrophobicContact CZ-CG2 3.47Å; F28-V86 VanDerWaalsContact CZ-CG2 3.47Å
29Y97.7Very high97.7Very high45 Ų4560.6 Ų60.618%0.17630%0.3CS..Hα-helixtrans-59.7-48.2177.5-179-100.2000111.3K6 P7 V25 D26 L27 G31 T32 E33K6-Y29 HydrophobicContact CD-CD1 4.13Å; K6-Y29 HydrophobicContact CD-CG 4.15Å; K6-Y29 HydrophobicContact CG-CD1 4.33Å; K6-Y29 HydrophobicContact CG-CD2 4.15Å; K6-Y29 HydrophobicContact CG-CE1 4.37Å; K6-Y29 HydrophobicContact CG-CE2 4.19Å; K6-Y29 HydrophobicContact CG-CG 4.23Å; P7-Y29 HydrophobicContact CG-CE2 4.31Å; V25-Y29 VanDerWaalsContact O-CB 3.31Å; V25-Y29 WeakPolarHBondContact O-CB 3.29Å; V25-Y29 PolarHBondContact O-N 3.01Å; D26-Y29 PolarHBondContact O-N 2.86Å; L27-Y29 PolarHBondContact O-N 3.19Å; Y29-G31 VanDerWaalsContact C-N 3.28Å; Y29-G31 PolarHBondContact O-N 2.86Å; Y29-T32 PolarHBondContact O-N 2.88Å; Y29-T32 PolarHBondContact O-OG1 2.82Å; Y29-E33 HydrophobicContact CD1-CG 4.43Å; Y29-E33 HydrophobicContact CE1-CG 4.06Å; Y29-E33 PolarHBondContact O-N 3.25Å; Y29-E33 VanDerWaalsContact O-N 3.11Å
30E97.2Very high97.7Very high94 Ų9459.7 Ų59.744%0.43929%0.293SS..Hα-helixtrans-58.1-41174.8-174.7-179.6152.700112.1D26 L27 T32 E33 N34 Y44D26-E30 PolarHBondContact O-N 2.83Å; L27-E30 PolarHBondContact O-N 3.46Å; E30-T32 VanDerWaalsContact C-N 3.32Å; E30-T32 PolarHBondContact O-N 2.95Å; E30-E33 PolarHBondContact O-N 3.11Å; E30-N34 PolarHBondContact O-N 3.4Å; E30-N34 PolarHBondContact O-ND2 2.95Å; E30-Y44 HydrophobicContact CB-CE1 4.5Å; E30-Y44 PolarHBondContact OE1-OH 3.34Å; E30-Y44 PolarHBondContact OE2-OH 2.9Å
31G97.9Very high97.8Very high0 Ų058.6 Ų58.60%029%0.288CS..Hα-helixtrans-58.3-42.3173.600000112.5L27 F28 Y29 E33 N34 F35L27-G31 PolarHBondContact O-N 2.96Å; F28-G31 PolarHBondContact O-N 3.06Å; Y29-G31 VanDerWaalsContact C-N 3.28Å; Y29-G31 PolarHBondContact O-N 2.86Å; G31-E33 VanDerWaalsContact C-N 3.3Å; G31-E33 PolarHBondContact O-N 3.45Å; G31-N34 PolarHBondContact O-N 3.2Å; G31-F35 WeakPolarHBondContact O-CB 3.31Å; G31-F35 VanDerWaalsContact O-CD2 3.31Å; G31-F35 WeakPolarHBondContact O-CD2 3.23Å; G31-F35 PolarHBondContact O-N 3.28Å
32T96.8Very high97.8Very high11 Ų1157.4 Ų57.47%0.06728%0.284CS..Hα-helixtrans-70.4-24.4178.261.50000114.2F28 Y29 E30 K36 I41 N82 Y84F28-T32 HydrophobicContact CD1-CG2 4.18Å; F28-T32 HydrophobicContact CE1-CG2 3.61Å; F28-T32 HydrophobicContact CE2-CG2 4.06Å; F28-T32 HydrophobicContact CZ-CG2 3.52Å; F28-T32 WeakPolarHBondContact O-CG2 3.34Å; F28-T32 PolarHBondContact O-N 3.34Å; Y29-T32 PolarHBondContact O-N 2.88Å; Y29-T32 PolarHBondContact O-OG1 2.82Å; E30-T32 VanDerWaalsContact C-N 3.32Å; E30-T32 PolarHBondContact O-N 2.95Å; T32-K36 PolarHBondContact O-NZ 3.04Å; T32-I41 HydrophobicContact CG2-CD1 4.13Å; T32-I41 HydrophobicContact CG2-CG2 4.37Å; T32-N82 PolarHBondContact OG1-ND2 3.43Å; T32-Y84 HydrophobicContact CG2-CD2 4.45Å
33E95.8Very high97.9Very high115 Ų11558.8 Ų58.854%0.53729%0.289SS..Hα-helixtrans-72.7-36.9172.9-66-61.7107.900111.1Y29 E30 G31Y29-E33 HydrophobicContact CD1-CG 4.43Å; Y29-E33 HydrophobicContact CE1-CG 4.06Å; Y29-E33 PolarHBondContact O-N 3.25Å; Y29-E33 VanDerWaalsContact O-N 3.11Å; E30-E33 PolarHBondContact O-N 3.11Å; G31-E33 VanDerWaalsContact C-N 3.3Å; G31-E33 PolarHBondContact O-N 3.45Å
34N96.7Very high97.9Very high103 Ų10358.6 Ų58.655%0.55129%0.285SS*.Hα-helixtrans-92.9-26.7-174.7-69.3-59.9000114.8E30 G31E30-N34 PolarHBondContact O-N 3.4Å; E30-N34 PolarHBondContact O-ND2 2.95Å; G31-N34 PolarHBondContact O-N 3.2Å
35F97.6Very high97.9Very high70 Ų7058.6 Ų58.631%0.30729%0.285SS..  trans-129.5153.9-173.5-50.9-72.9000111.3G31 E40 I41 Y44G31-F35 WeakPolarHBondContact O-CB 3.31Å; G31-F35 VanDerWaalsContact O-CD2 3.31Å; G31-F35 WeakPolarHBondContact O-CD2 3.23Å; G31-F35 PolarHBondContact O-N 3.28Å; F35-E40 HydrophobicContact CB-CB 4.06Å; F35-E40 HydrophobicContact CD1-CB 4.04Å; F35-E40 HydrophobicContact CG-CB 4.09Å; F35-I41 HydrophobicContact CB-CG1 3.74Å; F35-Y44 HydrophobicContact CD2-CG 4.39Å; F35-Y44 AromaticContact CE2-CD2 3.75Å; F35-Y44 HydrophobicContact CE2-CD2 3.75Å; F35-Y44 AromaticContact CE2-CG 3.74Å; F35-Y44 HydrophobicContact CE2-CG 3.74Å; F35-Y44 HydrophobicContact CZ-CD2 4.38Å
36K95Very high97.9Very high150 Ų15061.2 Ų61.265%0.65230%0.296SS*.  trans-112.9-31.3177.6-59.4-58.9170.2-149.90113.5T32T32-K36 PolarHBondContact O-NZ 3.04Å
37E97.8Very high97.9Very high129 Ų12964.6 Ų64.660%0.60331%0.308SS*.SBendtrans-80.6132.7179-59.2-58.3132.100110.9C39 E40 I41E37-C39 PolarHBondContact O-N 3.41Å; E37-E40 HydrophobicContact CB-CG 4.37Å; E37-E40 PolarHBondContact O-N 2.89Å; E37-E40 VanDerWaalsContact O-N 3.07Å; E37-I41 WeakPolarHBondContact O-CG1 2.92Å; E37-I41 PolarHBondContact O-N 3.31Å; E37-I41 VanDerWaalsContact O-N 3.14Å
38E98.3Very high97.9Very high57 Ų5766.4 Ų66.427%0.26632%0.315SS..Hα-helixtrans-57.5-38.1-177-67.691.4159.700112.4E40 I41 A42 V61 Y84E38-E40 PolarHBondContact O-N 2.82Å; E38-I41 PolarHBondContact O-N 3.3Å; E38-A42 WeakPolarHBondContact O-CB 3.42Å; E38-A42 PolarHBondContact O-N 2.82Å; E38-V61 HydrophobicContact CB-CB 4.26Å; E38-V61 HydrophobicContact CB-CG1 4.05Å; E38-V61 HydrophobicContact CG-CG1 4.07Å; E38-Y84 HydrophobicContact CG-CD1 4.06Å; E38-Y84 HydrophobicContact CG-CE1 3.66Å
39C98.3Very high97.9Very high101 Ų10166.4 Ų66.468%0.68232%0.315SS*.Hα-helixtrans-64.1-38.3178.4-69.10000112.8E37 K43E37-C39 PolarHBondContact O-N 3.41Å; C39-K43 WeakPolarHBondContact O-CB 3.26Å; C39-K43 PolarHBondContact O-N 2.94Å
40E98.7Very high98Very high81 Ų8166.8 Ų66.838%0.37932%0.319SS..Hα-helixtrans-73-38.2178.7-69.1-57.913200111F35 E37 E38 K43 Y44F35-E40 HydrophobicContact CB-CB 4.06Å; F35-E40 HydrophobicContact CD1-CB 4.04Å; F35-E40 HydrophobicContact CG-CB 4.09Å; E37-E40 HydrophobicContact CB-CG 4.37Å; E37-E40 PolarHBondContact O-N 2.89Å; E37-E40 VanDerWaalsContact O-N 3.07Å; E38-E40 PolarHBondContact O-N 2.82Å; E40-K43 PolarHBondContact O-N 2.93Å; E40-K43 IonicContact OE2-NZ 3.83Å; E40-Y44 WeakPolarHBondContact O-CB 3.38Å; E40-Y44 PolarHBondContact O-N 3.41Å
41I98.8Very high98Very high1 Ų167.5 Ų67.51%0.00533%0.333CS..Hα-helixtrans-62.2-47.3173.6-59.6162.3000110.3F28 T32 F35 E37 E38 K43 Y44 L45 V61F28-I41 HydrophobicContact CD2-CG2 3.69Å; F28-I41 HydrophobicContact CE2-CG2 3.47Å; F28-I41 VanDerWaalsContact CE2-CG2 3.47Å; F28-I41 HydrophobicContact CZ-CG2 4.43Å; T32-I41 HydrophobicContact CG2-CD1 4.13Å; T32-I41 HydrophobicContact CG2-CG2 4.37Å; F35-I41 HydrophobicContact CB-CG1 3.74Å; E37-I41 WeakPolarHBondContact O-CG1 2.92Å; E37-I41 PolarHBondContact O-N 3.31Å; E37-I41 VanDerWaalsContact O-N 3.14Å; E38-I41 PolarHBondContact O-N 3.3Å; I41-K43 VanDerWaalsContact C-N 3.35Å; I41-K43 PolarHBondContact O-N 3.4Å; I41-Y44 PolarHBondContact O-N 2.85Å; I41-L45 PolarHBondContact O-N 2.96Å; I41-V61 HydrophobicContact CG2-CG2 4.49Å
42A98.9Very high98Very high12 Ų1273 Ų7310%0.09936%0.357CS..Hα-helixtrans-61.8-42.3178.500000112E38 K46 C59 V61E38-A42 WeakPolarHBondContact O-CB 3.42Å; E38-A42 PolarHBondContact O-N 2.82Å; A42-K46 VanDerWaalsContact O-CB 3.28Å; A42-K46 WeakPolarHBondContact O-CB 3.21Å; A42-K46 PolarHBondContact O-N 3.02Å; A42-C59 HydrophobicContact CB-CB 4.26Å; A42-C59 WeakPolarHBondContact O-CB 3.41Å; A42-V61 HydrophobicContact CB-CB 4.22Å; A42-V61 HydrophobicContact CB-CG2 3.75Å
43K98.8Very high98.1Very high129 Ų12975 Ų7556%0.56136%0.364SS*.Hα-helixtrans-64.2-43.4177.1179-176.9172.5-1680111.9C39 E40 I41 K47C39-K43 WeakPolarHBondContact O-CB 3.26Å; C39-K43 PolarHBondContact O-N 2.94Å; E40-K43 PolarHBondContact O-N 2.93Å; E40-K43 IonicContact OE2-NZ 3.83Å; I41-K43 VanDerWaalsContact C-N 3.35Å; I41-K43 PolarHBondContact O-N 3.4Å; K43-K47 VanDerWaalsContact O-CB 3.28Å; K43-K47 WeakPolarHBondContact O-CB 3.46Å; K43-K47 PolarHBondContact O-N 3.23Å
44Y98.8Very high98.1Very high34 Ų3471.2 Ų71.213%0.13336%0.355CS..Hα-helixtrans-59.7-54.7174.9169.4-93000110.7L27 E30 F35 E40 I41 K46 K47 E48L27-Y44 HydrophobicContact CB-CE1 4.43Å; L27-Y44 HydrophobicContact CD2-CE1 4.39Å; L27-Y44 VanDerWaalsContact O-CE1 3.26Å; L27-Y44 WeakPolarHBondContact O-CE1 3.32Å; E30-Y44 HydrophobicContact CB-CE1 4.5Å; E30-Y44 PolarHBondContact OE1-OH 3.34Å; E30-Y44 PolarHBondContact OE2-OH 2.9Å; F35-Y44 HydrophobicContact CD2-CG 4.39Å; F35-Y44 AromaticContact CE2-CD2 3.75Å; F35-Y44 HydrophobicContact CE2-CD2 3.75Å; F35-Y44 AromaticContact CE2-CG 3.74Å; F35-Y44 HydrophobicContact CE2-CG 3.74Å; F35-Y44 HydrophobicContact CZ-CD2 4.38Å; E40-Y44 WeakPolarHBondContact O-CB 3.38Å; E40-Y44 PolarHBondContact O-N 3.41Å; I41-Y44 PolarHBondContact O-N 2.85Å; Y44-K46 PolarHBondContact O-N 2.95Å; Y44-K47 PolarHBondContact O-N 3.25Å; Y44-K47 VanDerWaalsContact O-N 3.14Å; Y44-E48 HydrophobicContact CD2-CG 4.19Å; Y44-E48 HydrophobicContact CE1-CG 4.22Å; Y44-E48 HydrophobicContact CE2-CG 3.78Å; Y44-E48 PolarHBondContact O-N 3.35Å
45L98.8Very high98.1Very high0 Ų070 Ų700%035%0.354CS..Hα-helixtrans-58-49.8-178.8176.956.9000111.3L27 F28 I41 K47 E48 Y49 V86 L88L27-L45 HydrophobicContact CB-CD1 3.5Å; L27-L45 HydrophobicContact CD1-CD1 4.22Å; F28-L45 HydrophobicContact CB-CD2 4.19Å; F28-L45 HydrophobicContact CD2-CD2 4.36Å; I41-L45 PolarHBondContact O-N 2.96Å; L45-K47 VanDerWaalsContact C-N 3.32Å; L45-K47 PolarHBondContact O-N 3.14Å; L45-E48 PolarHBondContact O-N 3.03Å; L45-Y49 HydrophobicContact CD1-CD2 4.32Å; L45-Y49 WeakPolarHBondContact O-CB 3.24Å; L45-Y49 PolarHBondContact O-N 3.15Å; L45-V86 HydrophobicContact CD2-CG1 3.89Å; L45-L88 HydrophobicContact CD1-CD2 4.29Å; L45-L88 HydrophobicContact CD2-CD2 4.34Å; L45-L88 HydrophobicContact CG-CD1 4.46Å; L45-L88 HydrophobicContact CG-CD2 4.27Å
46K98.8Very high98Very high66 Ų6670 Ų7029%0.28736%0.357SS..Hα-helixtrans-53.1-49.5175.9178-173.3-178.2-55.20111.5A42 Y44 Y49 E50 W57 C59A42-K46 VanDerWaalsContact O-CB 3.28Å; A42-K46 WeakPolarHBondContact O-CB 3.21Å; A42-K46 PolarHBondContact O-N 3.02Å; Y44-K46 PolarHBondContact O-N 2.95Å; K46-Y49 PolarHBondContact O-N 3.38Å; K46-E50 HydrophobicContact CG-CG 4.43Å; K46-E50 IonicContact NZ-OE1 2.72Å; K46-E50 PolarHBondContact NZ-OE1 2.89Å; K46-E50 IonicContact NZ-OE2 2.66Å; K46-E50 PolarHBondContact NZ-OE2 2.89Å; K46-E50 WeakPolarHBondContact O-CB 3.37Å; K46-E50 WeakPolarHBondContact O-CG 3.47Å; K46-E50 PolarHBondContact O-N 2.68Å; K46-W57 WeakPolarHBondContact CE-O 3.39Å; K46-W57 WeakPolarHBondContact CG-O 3.37Å; K46-C59 HydrophobicContact CB-CB 3.99Å
47K98.7Very high98.2Very high135 Ų13563 Ų6359%0.58733%0.327SS*.Hα-helixtrans-63.3-47.1-175.5-178-168.2170.3-152.90111.9K43 Y44 L45 Y49 E50 C51K43-K47 VanDerWaalsContact O-CB 3.28Å; K43-K47 WeakPolarHBondContact O-CB 3.46Å; K43-K47 PolarHBondContact O-N 3.23Å; Y44-K47 PolarHBondContact O-N 3.25Å; Y44-K47 VanDerWaalsContact O-N 3.14Å; L45-K47 VanDerWaalsContact C-N 3.32Å; L45-K47 PolarHBondContact O-N 3.14Å; K47-Y49 VanDerWaalsContact C-N 3.33Å; K47-E50 PolarHBondContact O-N 2.65Å; K47-C51 WeakPolarHBondContact O-CB 3.28Å; K47-C51 PolarHBondContact O-N 3Å
48E98.7Very high98.3Very high62 Ų6260.5 Ų60.529%0.2932%0.315SS..Hα-helixtrans-66.4-38.9179.6-63.9-52.2128.800111L27 Y44 L45 C51 K52L27-E48 HydrophobicContact CD1-CB 3.96Å; L27-E48 HydrophobicContact CD2-CB 3.83Å; L27-E48 HydrophobicContact CD2-CG 4.17Å; L27-E48 HydrophobicContact CG-CB 4.48Å; Y44-E48 HydrophobicContact CD2-CG 4.19Å; Y44-E48 HydrophobicContact CE1-CG 4.22Å; Y44-E48 HydrophobicContact CE2-CG 3.78Å; Y44-E48 PolarHBondContact O-N 3.35Å; L45-E48 PolarHBondContact O-N 3.03Å; E48-C51 WeakPolarHBondContact O-CB 3.29Å; E48-C51 PolarHBondContact O-N 2.88Å; E48-K52 PolarHBondContact O-N 3.1Å
49Y98.4Very high98.3Very high0 Ų058.9 Ų58.90%031%0.31CS..Hα-helixtrans-67.4-38.1175.7-132-101.2000112.6M20 D23 A24 L27 L45 K46 K47 C51 K52 Y53 W57 L88M20-Y49 WeakPolarHBondContact CB-OH 3.47Å; M20-Y49 HydrophobicContact CE-CE1 3.87Å; M20-Y49 PolarHBondContact O-OH 3.14Å; D23-Y49 HydrophobicContact CB-CE2 4.48Å; A24-Y49 HydrophobicContact CB-CE2 3.8Å; L27-Y49 HydrophobicContact CD1-CD2 3.91Å; L45-Y49 HydrophobicContact CD1-CD2 4.32Å; L45-Y49 WeakPolarHBondContact O-CB 3.24Å; L45-Y49 PolarHBondContact O-N 3.15Å; K46-Y49 PolarHBondContact O-N 3.38Å; K47-Y49 VanDerWaalsContact C-N 3.33Å; Y49-C51 VanDerWaalsContact C-N 3.32Å; Y49-K52 PolarHBondContact O-N 2.77Å; Y49-Y53 AromaticContact CD1-CD2 3.41Å; Y49-Y53 HydrophobicContact CD1-CD2 3.41Å; Y49-Y53 VanDerWaalsContact CD1-CD2 3.41Å; Y49-Y53 HydrophobicContact CD1-CE2 4.09Å; Y49-Y53 HydrophobicContact CD1-CG 4.25Å; Y49-Y53 AromaticContact CD2-CD2 3.97Å; Y49-Y53 HydrophobicContact CD2-CD2 3.97Å; Y49-Y53 AromaticContact CD2-CE2 3.91Å; Y49-Y53 HydrophobicContact CD2-CE2 3.91Å; Y49-Y53 AromaticContact CE1-CD2 3.37Å; Y49-Y53 HydrophobicContact CE1-CD2 3.37Å; Y49-Y53 AromaticContact CE1-CE2 3.77Å; Y49-Y53 HydrophobicContact CE1-CE2 3.77Å; Y49-Y53 HydrophobicContact CE1-CG 4.12Å; Y49-Y53 AromaticContact CE2-CD2 3.94Å; Y49-Y53 HydrophobicContact CE2-CD2 3.94Å; Y49-Y53 AromaticContact CE2-CE2 3.57Å; Y49-Y53 HydrophobicContact CE2-CE2 3.57Å; Y49-Y53 AromaticContact CG-CD2 3.73Å; Y49-Y53 HydrophobicContact CG-CD2 3.73Å; Y49-Y53 HydrophobicContact CG-CE2 4.17Å; Y49-Y53 AromaticContact CZ-CD2 3.65Å; Y49-Y53 AromaticContact CZ-CE2 3.51Å; Y49-Y53 WeakPolarHBondContact O-CB 3.34Å; Y49-Y53 PolarHBondContact O-N 2.94Å; Y49-W57 AromaticContact CD1-CD2 3.52Å; Y49-W57 HydrophobicContact CD1-CD2 3.52Å; Y49-W57 AromaticContact CD1-CE2 3.48Å; Y49-W57 VanDerWaalsContact CD1-CE2 3.48Å; Y49-W57 AromaticContact CD1-CE3 3.78Å; Y49-W57 HydrophobicContact CD1-CE3 3.78Å; Y49-W57 HydrophobicContact CD1-CG 4.02Å; Y49-W57 AromaticContact CD1-CH2 3.97Å; Y49-W57 HydrophobicContact CD1-CH2 3.97Å; Y49-W57 AromaticContact CD1-CZ2 3.73Å; Y49-W57 HydrophobicContact CD1-CZ2 3.73Å; Y49-W57 AromaticContact CD1-CZ3 3.99Å; Y49-W57 HydrophobicContact CD1-CZ3 3.99Å; Y49-W57 AromaticContact CD1-NE1 3.92Å; Y49-W57 HydrophobicContact CE1-CD2 4.08Å; Y49-W57 AromaticContact CE1-CE2 3.84Å; Y49-W57 HydrophobicContact CE1-CE3 4.01Å; Y49-W57 AromaticContact CE1-CH2 3.49Å; Y49-W57 HydrophobicContact CE1-CH2 3.49Å; Y49-W57 VanDerWaalsContact CE1-CH2 3.49Å; Y49-W57 AromaticContact CE1-CZ2 3.56Å; Y49-W57 HydrophobicContact CE1-CZ2 3.56Å; Y49-W57 AromaticContact CE1-CZ3 3.72Å; Y49-W57 HydrophobicContact CE1-CZ3 3.72Å; Y49-L88 HydrophobicContact CD1-CD2 3.81Å; Y49-L88 HydrophobicContact CD1-CG 4.47Å; Y49-L88 HydrophobicContact CD2-CD2 3.67Å; Y49-L88 HydrophobicContact CE1-CD2 3.87Å; Y49-L88 HydrophobicContact CE2-CD2 3.75Å; Y49-L88 HydrophobicContact CG-CD2 3.7Å
50E98.4Very high98.3Very high53 Ų5357 Ų5725%0.24830%0.295CS..Hα-helixtrans-66.1-36.5173.4-77.4-177.4145.700112.6K46 K47 K52 G54 N56 W57K46-E50 HydrophobicContact CG-CG 4.43Å; K46-E50 IonicContact NZ-OE1 2.72Å; K46-E50 PolarHBondContact NZ-OE1 2.89Å; K46-E50 IonicContact NZ-OE2 2.66Å; K46-E50 PolarHBondContact NZ-OE2 2.89Å; K46-E50 WeakPolarHBondContact O-CB 3.37Å; K46-E50 WeakPolarHBondContact O-CG 3.47Å; K46-E50 PolarHBondContact O-N 2.68Å; K47-E50 PolarHBondContact O-N 2.65Å; E50-K52 VanDerWaalsContact C-N 3.3Å; E50-K52 PolarHBondContact O-N 2.81Å; E50-G54 VanDerWaalsContact CA-O 3.23Å; E50-G54 WeakPolarHBondContact CA-O 3.39Å; E50-G54 CarbonylContact O-C 3.39Å; E50-G54 WeakPolarHBondContact O-CA 3.28Å; E50-G54 PolarHBondContact O-N 3.32Å; E50-N56 PolarHBondContact OE1-N 2.83Å; E50-W57 HydrophobicContact CG-CB 3.92Å; E50-W57 HydrophobicContact CG-CG 4.3Å
51C98.4Very high98.3Very high109 Ų10954 Ų5474%0.73628%0.282SS*.Hα-helixtrans-63.5-38.9175.6-171.10000111.5K47 E48 Y49K47-C51 WeakPolarHBondContact O-CB 3.28Å; K47-C51 PolarHBondContact O-N 3Å; E48-C51 WeakPolarHBondContact O-CB 3.29Å; E48-C51 PolarHBondContact O-N 2.88Å; Y49-C51 VanDerWaalsContact C-N 3.32Å
52K98.3Very high98.3Very high115 Ų11554.5 Ų54.550%0.529%0.288SS..Hα-helixtrans-86.9-38.1-176.2-167.3171.7-177.9-171.70114.1D23 E48 Y49 E50D23-K52 IonicContact OD1-NZ 2.89Å; D23-K52 PolarHBondContact OD1-NZ 2.58Å; D23-K52 IonicContact OD2-NZ 2.65Å; D23-K52 PolarHBondContact OD2-NZ 3.14Å; E48-K52 PolarHBondContact O-N 3.1Å; Y49-K52 PolarHBondContact O-N 2.77Å; E50-K52 VanDerWaalsContact C-N 3.3Å; E50-K52 PolarHBondContact O-N 2.81Å
53Y97.7Very high98.2Very high54 Ų5460.6 Ų60.621%0.21231%0.312CS..Hα-helixtrans-121.713.2-169.1-55.6-72.3000114.2M20 D23 Y49M20-Y53 HydrophobicContact CE-CD1 3.83Å; M20-Y53 HydrophobicContact CE-CD2 4.3Å; M20-Y53 HydrophobicContact CE-CE1 4.07Å; M20-Y53 HydrophobicContact CE-CE2 4.5Å; M20-Y53 HydrophobicContact CE-CG 3.95Å; M20-Y53 HydrophobicContact CG-CD1 4.4Å; M20-Y53 HydrophobicContact CG-CE1 3.71Å; M20-Y53 HydrophobicContact SD-CD1 4.22Å; M20-Y53 HydrophobicContact SD-CE1 4.1Å; D23-Y53 PolarHBondContact OD2-OH 2.85Å; Y49-Y53 AromaticContact CD1-CD2 3.41Å; Y49-Y53 HydrophobicContact CD1-CD2 3.41Å; Y49-Y53 VanDerWaalsContact CD1-CD2 3.41Å; Y49-Y53 HydrophobicContact CD1-CE2 4.09Å; Y49-Y53 HydrophobicContact CD1-CG 4.25Å; Y49-Y53 AromaticContact CD2-CD2 3.97Å; Y49-Y53 HydrophobicContact CD2-CD2 3.97Å; Y49-Y53 AromaticContact CD2-CE2 3.91Å; Y49-Y53 HydrophobicContact CD2-CE2 3.91Å; Y49-Y53 AromaticContact CE1-CD2 3.37Å; Y49-Y53 HydrophobicContact CE1-CD2 3.37Å; Y49-Y53 AromaticContact CE1-CE2 3.77Å; Y49-Y53 HydrophobicContact CE1-CE2 3.77Å; Y49-Y53 HydrophobicContact CE1-CG 4.12Å; Y49-Y53 AromaticContact CE2-CD2 3.94Å; Y49-Y53 HydrophobicContact CE2-CD2 3.94Å; Y49-Y53 AromaticContact CE2-CE2 3.57Å; Y49-Y53 HydrophobicContact CE2-CE2 3.57Å; Y49-Y53 AromaticContact CG-CD2 3.73Å; Y49-Y53 HydrophobicContact CG-CD2 3.73Å; Y49-Y53 HydrophobicContact CG-CE2 4.17Å; Y49-Y53 AromaticContact CZ-CD2 3.65Å; Y49-Y53 AromaticContact CZ-CE2 3.51Å; Y49-Y53 WeakPolarHBondContact O-CB 3.34Å; Y49-Y53 PolarHBondContact O-N 2.94Å
54G96.2Very high98.1Very high35 Ų3559.8 Ų59.836%0.36132%0.323SS..  trans85.3173178.300000113.4E50 W57E50-G54 VanDerWaalsContact CA-O 3.23Å; E50-G54 WeakPolarHBondContact CA-O 3.39Å; E50-G54 CarbonylContact O-C 3.39Å; E50-G54 WeakPolarHBondContact O-CA 3.28Å; E50-G54 PolarHBondContact O-N 3.32Å; G54-W57 PolarHBondContact O-NE1 3.39Å
55S96.1Very high98Very high76 Ų7661 Ų6153%0.53133%0.329SS..SBendtrans-69.1176.2-171.957.40000114.7K90S55-K90 VanDerWaalsContact O-CE 3.32Å; S55-K90 WeakPolarHBondContact O-CE 3.33Å
56N96.9Very high97.8Very high70 Ų7064.8 Ų64.837%0.37437%0.368SS..  trans72.627172.1-56.5-17.8000114.6E50 H58 K90 A91E50-N56 PolarHBondContact OE1-N 2.83Å; N56-H58 PolarHBondContact O-CD2 3.05Å; N56-K90 WeakPolarHBondContact O-CA 3.32Å; N56-A91 PolarHBondContact O-N 3.23Å
57W98.6Very high97.6Very high5 Ų564.5 Ų64.52%0.01937%0.374CS..EExtended strand (participates in β ladder)trans-82.1143.5165.2-6893.4000110.5M16 M20 K46 Y49 E50 G54 G75 L88 F89 K90M16-W57 HydrophobicContact CE-CH2 4.05Å; M16-W57 HydrophobicContact CE-CZ3 4.04Å; M20-W57 HydrophobicContact CE-CH2 3.91Å; M20-W57 HydrophobicContact CE-CZ2 3.97Å; K46-W57 WeakPolarHBondContact CE-O 3.39Å; K46-W57 WeakPolarHBondContact CG-O 3.37Å; Y49-W57 AromaticContact CD1-CD2 3.52Å; Y49-W57 HydrophobicContact CD1-CD2 3.52Å; Y49-W57 AromaticContact CD1-CE2 3.48Å; Y49-W57 VanDerWaalsContact CD1-CE2 3.48Å; Y49-W57 AromaticContact CD1-CE3 3.78Å; Y49-W57 HydrophobicContact CD1-CE3 3.78Å; Y49-W57 HydrophobicContact CD1-CG 4.02Å; Y49-W57 AromaticContact CD1-CH2 3.97Å; Y49-W57 HydrophobicContact CD1-CH2 3.97Å; Y49-W57 AromaticContact CD1-CZ2 3.73Å; Y49-W57 HydrophobicContact CD1-CZ2 3.73Å; Y49-W57 AromaticContact CD1-CZ3 3.99Å; Y49-W57 HydrophobicContact CD1-CZ3 3.99Å; Y49-W57 AromaticContact CD1-NE1 3.92Å; Y49-W57 HydrophobicContact CE1-CD2 4.08Å; Y49-W57 AromaticContact CE1-CE2 3.84Å; Y49-W57 HydrophobicContact CE1-CE3 4.01Å; Y49-W57 AromaticContact CE1-CH2 3.49Å; Y49-W57 HydrophobicContact CE1-CH2 3.49Å; Y49-W57 VanDerWaalsContact CE1-CH2 3.49Å; Y49-W57 AromaticContact CE1-CZ2 3.56Å; Y49-W57 HydrophobicContact CE1-CZ2 3.56Å; Y49-W57 AromaticContact CE1-CZ3 3.72Å; Y49-W57 HydrophobicContact CE1-CZ3 3.72Å; E50-W57 HydrophobicContact CG-CB 3.92Å; E50-W57 HydrophobicContact CG-CG 4.3Å; G54-W57 PolarHBondContact O-NE1 3.39Å; W57-G75 WeakPolarHBondContact CZ3-O 3.47Å; W57-L88 HydrophobicContact CB-CD1 4.33Å; W57-L88 HydrophobicContact CE3-CD1 4.07Å; W57-L88 HydrophobicContact CE3-CG 3.94Å; W57-L88 HydrophobicContact CZ3-CG 4.29Å; W57-F89 CarbonylContact C-O 3.36Å; W57-F89 WeakPolarHBondContact CA-O 3.23Å; W57-F89 VanDerWaalsContact CE3-C 3.47Å; W57-K90 HydrophobicContact CD2-CB 3.97Å; W57-K90 HydrophobicContact CD2-CG 4.25Å; W57-K90 HydrophobicContact CE3-CB 3.87Å; W57-K90 HydrophobicContact CH2-CB 4.04Å; W57-K90 HydrophobicContact CZ2-CB 4.13Å; W57-K90 HydrophobicContact CZ2-CD 4.06Å; W57-K90 HydrophobicContact CZ2-CG 4.45Å; W57-K90 HydrophobicContact CZ3-CB 3.92Å
58H98.7Very high97.4Very high75 Ų7569.4 Ų69.435%0.34739%0.39SS..EExtended strand (participates in β ladder)trans-123.3137.5175.8-58-87.5000108.1N56 L88 F89 A91N56-H58 PolarHBondContact O-CD2 3.05Å; H58-L88 WeakPolarHBondContact O-CA 3.34Å; H58-F89 HydrophobicContact CB-CD1 4.11Å; H58-F89 HydrophobicContact CB-CD2 4.27Å; H58-F89 HydrophobicContact CB-CE1 3.68Å; H58-F89 HydrophobicContact CB-CE2 3.83Å; H58-F89 HydrophobicContact CB-CG 4.41Å; H58-F89 HydrophobicContact CB-CZ 3.53Å; H58-F89 AromaticContact CD2-CE2 3.99Å; H58-F89 PolarHBondContact N-O 3.49Å; H58-F89 PolarHBondContact O-N 2.95Å; H58-A91 PolarHBondContact NE2-O 3.06Å
59C98.8Very high97.2Very high23 Ų2369.1 Ų69.116%0.15539%0.39CS..EExtended strand (participates in β ladder)trans-129.5130.1-178-1740000110.1A42 K46 M87 L88A42-C59 HydrophobicContact CB-CB 4.26Å; A42-C59 WeakPolarHBondContact O-CB 3.41Å; K46-C59 HydrophobicContact CB-CB 3.99Å; C59-M87 CarbonylContact C-O 3.56Å; C59-M87 WeakPolarHBondContact CA-O 3.1Å; C59-L88 HydrophobicContact CB-CD1 4.05Å
60V98.7Very high97.1Very high62 Ų6274.3 Ų74.338%0.37643%0.427SS..EExtended strand (participates in β ladder)trans-122.4127.5173.4-175.70000108.2F65 V86 M87 F89V60-F65 HydrophobicContact CG1-CD1 4.43Å; V60-F65 HydrophobicContact CG1-CE1 4.25Å; V60-F65 HydrophobicContact CG1-CE2 4.46Å; V60-F65 HydrophobicContact CG1-CZ 4.27Å; V60-V86 WeakPolarHBondContact O-CA 3.02Å; V60-M87 HydrophobicContact CB-CB 4.3Å; V60-M87 PolarHBondContact N-O 3.28Å; V60-M87 PolarHBondContact O-N 3.48Å; V60-F89 HydrophobicContact CG2-CE1 4.48Å
61V98.8Very high97Very high18 Ų1875.1 Ų75.111%0.10943%0.43CS..EExtended strand (participates in β ladder)trans-125.7133.7176.5178.30000108F28 E38 I41 A42 Y84 Y85 V86F28-V61 HydrophobicContact CD2-CG2 4.47Å; F28-V61 HydrophobicContact CE2-CG1 3.92Å; F28-V61 HydrophobicContact CE2-CG2 3.99Å; F28-V61 HydrophobicContact CZ-CG1 4.41Å; E38-V61 HydrophobicContact CB-CB 4.26Å; E38-V61 HydrophobicContact CB-CG1 4.05Å; E38-V61 HydrophobicContact CG-CG1 4.07Å; I41-V61 HydrophobicContact CG2-CG2 4.49Å; A42-V61 HydrophobicContact CB-CB 4.22Å; A42-V61 HydrophobicContact CB-CG2 3.75Å; V61-Y84 HydrophobicContact CG1-CD1 3.99Å; V61-Y84 HydrophobicContact CG1-CG 4.14Å; V61-Y85 WeakPolarHBondContact CA-O 3.31Å; V61-V86 HydrophobicContact CG2-CG1 4.25Å; V61-V86 HydrophobicContact CG2-CG2 4.48Å
62G98.3Very high97Very high12 Ų1273 Ų7312%0.12441%0.409CS..EExtended strand (participates in β ladder)trans-175.3164.7176.900000113.1Y85G62-Y85 PolarHBondContact N-O 3.06Å; G62-Y85 PolarHBondContact O-N 3.29Å
63K97.3Very high96.8Very high140 Ų14075.2 Ų75.261%0.60942%0.422SS*.SBendtrans-79.3-23.3179.5-64179-176.5170.40113.3Y84 Y85K63-Y84 HydrophobicContact CG-CD1 4.2Å; K63-Y84 HydrophobicContact CG-CE1 4.19Å; K63-Y85 WeakPolarHBondContact O-CD2 3.01Å
64S95.7Very high96.7Very high111 Ų11176.5 Ų76.578%0.77643%0.432SS*.SBendtrans-161.3129176.6177.20000109.7
65F97.2Very high96.8Very high61 Ų6174.9 Ų74.927%0.26842%0.415SS..  trans-158.8157.2170.554.7-94.2000110.4V60 F78 Y85 M87V60-F65 HydrophobicContact CG1-CD1 4.43Å; V60-F65 HydrophobicContact CG1-CE1 4.25Å; V60-F65 HydrophobicContact CG1-CE2 4.46Å; V60-F65 HydrophobicContact CG1-CZ 4.27Å; F65-F78 AromaticContact CE2-CE2 3.84Å; F65-F78 HydrophobicContact CE2-CE2 3.84Å; F65-F78 HydrophobicContact CZ-CD2 4.49Å; F65-F78 AromaticContact CZ-CE2 3.76Å; F65-F78 HydrophobicContact CZ-CE2 3.76Å; F65-Y85 VanDerWaalsContact CE1-CB 3.44Å; F65-Y85 WeakPolarHBondContact CE1-O 3.37Å; F65-M87 HydrophobicContact CE2-CB 4.21Å; F65-M87 HydrophobicContact CE2-CE 4.23Å; F65-M87 HydrophobicContact CZ-CB 4.2Å
66G95.4Very high96.9Very high79 Ų7972.2 Ų72.281%0.81439%0.394SS*.  trans-103.2147.6164.900000109.7
67S93.9Very high97Very high59 Ų5968.9 Ų68.941%0.41338%0.376SS..  trans-146.4136.6-176.654.10000110.2M87S67-M87 VanDerWaalsContact CB-CE 3.44Å; S67-M87 WeakPolarHBondContact OG-CE 3.43Å
68Y94.7Very high97Very high238 Ų23869.7 Ų69.793%0.93338%0.38SS*.  trans-141.8102.4167.8-168.6-111.4000106.8
69I94.6Very high97Very high57 Ų5766.1 Ų66.129%0.29236%0.364SS..  trans-127.2155.9-167.763.489.6000109.6H71 F76 M87 F89I69-H71 HydrophobicContact CD1-CB 3.84Å; I69-H71 WeakPolarHBondContact CD1-ND1 3.48Å; I69-F76 HydrophobicContact CD1-CD2 3.62Å; I69-F76 HydrophobicContact CD1-CE2 3.67Å; I69-F76 HydrophobicContact CG1-CD2 4.46Å; I69-F76 HydrophobicContact CG1-CE2 4.03Å; I69-M87 HydrophobicContact CG1-SD 4.04Å; I69-M87 HydrophobicContact CG2-SD 4.4Å; I69-F89 HydrophobicContact CD1-CB 4.25Å; I69-F89 HydrophobicContact CD1-CD2 3.96Å; I69-F89 HydrophobicContact CD1-CE2 4.46Å; I69-F89 HydrophobicContact CD1-CG 4.03Å; I69-F89 HydrophobicContact CG2-CZ 4.44Å
70S96.6Very high97Very high109 Ų10967.7 Ų67.776%0.76237%0.369SS*.  trans-103.1146.2163.5-57.60000108.8
71H96.3Very high96.9Very high70 Ų7065 Ų6532%0.32435%0.352SS..  trans-143.2161.2-178.758.6-89000111.1D15 I69 F76 F89 K90D15-H71 IonicContact OD2-CD2 3.43Å; D15-H71 PolarHBondContact OD2-CD2 2.85Å; D15-H71 IonicContact OD2-NE2 2.94Å; D15-H71 PolarHBondContact OD2-NE2 3.27Å; I69-H71 HydrophobicContact CD1-CB 3.84Å; I69-H71 WeakPolarHBondContact CD1-ND1 3.48Å; H71-F76 HydrophobicContact CB-CB 4.21Å; H71-F76 HydrophobicContact CB-CD2 4.5Å; H71-F76 WeakPolarHBondContact CD2-CB 3.45Å; H71-F76 AromaticContact CE1-CG 3.85Å; H71-F76 AromaticContact ND1-CD2 3.78Å; H71-F76 AromaticContact ND1-CG 3.88Å; H71-F76 WeakPolarHBondContact NE2-CB 3.5Å; H71-F89 HydrophobicContact CB-CB 4.17Å; H71-F89 HydrophobicContact CB-CD2 4.41Å; H71-K90 CarbonylContact C-O 3.57Å; H71-K90 VanDerWaalsContact CA-O 3.31Å; H71-K90 WeakPolarHBondContact CA-O 3.48Å; H71-K90 WeakPolarHBondContact CB-O 3.32Å
72E97.4Very high96.6Very high63 Ų6367.2 Ų67.229%0.29436%0.363SS..  trans-70.7146.1170.9-67.4172.2-138.900111.1G75 K90 G92E72-G75 WeakPolarHBondContact O-CA 3.38Å; E72-G75 PolarHBondContact O-N 3.36Å; E72-K90 HydrophobicContact CB-CB 4.34Å; E72-K90 PolarHBondContact N-O 2.75Å; E72-K90 VanDerWaalsContact OE2-CD 3.23Å; E72-K90 WeakPolarHBondContact OE2-CD 3.3Å; E72-K90 WeakPolarHBondContact OE2-CE 3.1Å; E72-K90 IonicContact OE2-NZ 3.49Å; E72-K90 PolarHBondContact OE2-NZ 2.75Å; E72-G92 PolarHBondContact OE1-N 3.23Å
73E95.9Very high96.5Very high163 Ų16368.6 Ų68.676%0.76238%0.378SS*.THydrogen-bonded Turntrans-54.2140.1178.1-164.6-172.5171.800112G75E73-G75 PolarHBondContact O-N 2.95Å
74N95.7Very high96.5Very high80 Ų8063.8 Ų63.843%0.42836%0.356SS..THydrogen-bonded Turntrans60.218.8-175.2-56.7-71.9000114.2D15 M16D15-N74 CarbonylContact O-C 2.91Å; D15-N74 WeakPolarHBondContact O-CA 3.35Å; D15-N74 PolarHBondContact OD1-N 2.79Å; D15-N74 PolarHBondContact OD2-N 2.96Å; M16-N74 WeakPolarHBondContact CB-O 3.48Å
75G97.5Very high96.6Very high1 Ų161.8 Ų61.81%0.0133%0.332CS..  trans-117.625.6-172.300000114.5D15 W57 E72 E73 F89 K90D15-G75 PolarHBondContact O-N 2.83Å; W57-G75 WeakPolarHBondContact CZ3-O 3.47Å; E72-G75 WeakPolarHBondContact O-CA 3.38Å; E72-G75 PolarHBondContact O-N 3.36Å; E73-G75 PolarHBondContact O-N 2.95Å; G75-F89 CarbonylContact O-C 3.46Å; G75-F89 WeakPolarHBondContact O-CA 3.12Å; G75-K90 PolarHBondContact O-N 2.87Å
76F98.6Very high96.7Very high20 Ų2058.9 Ų58.99%0.08832%0.319CS..EExtended strand (participates in β ladder)trans-142.5136.4-175.3173.5-84000115.4D15 M16 I69 H71 F78 M87 F89D15-F76 CarbonylContact C-O 3.56Å; D15-F76 HydrophobicContact CB-CB 4.22Å; D15-F76 PolarHBondContact N-O 3.43Å; D15-F76 PolarHBondContact O-N 2.97Å; M16-F76 VanDerWaalsContact CE-C 3.46Å; I69-F76 HydrophobicContact CD1-CD2 3.62Å; I69-F76 HydrophobicContact CD1-CE2 3.67Å; I69-F76 HydrophobicContact CG1-CD2 4.46Å; I69-F76 HydrophobicContact CG1-CE2 4.03Å; H71-F76 HydrophobicContact CB-CB 4.21Å; H71-F76 HydrophobicContact CB-CD2 4.5Å; H71-F76 WeakPolarHBondContact CD2-CB 3.45Å; H71-F76 AromaticContact CE1-CG 3.85Å; H71-F76 AromaticContact ND1-CD2 3.78Å; H71-F76 AromaticContact ND1-CG 3.88Å; H71-F76 WeakPolarHBondContact NE2-CB 3.5Å; F76-F78 HydrophobicContact CE1-CB 4.05Å; F76-F78 HydrophobicContact CZ-CB 3.81Å; F76-M87 HydrophobicContact CE2-CE 4.1Å; F76-M87 HydrophobicContact CE2-CG 4Å; F76-M87 HydrophobicContact CE2-SD 4.08Å; F76-M87 HydrophobicContact CZ-CE 4.13Å; F76-F89 HydrophobicContact CB-CB 4.35Å; F76-F89 HydrophobicContact CD2-CB 3.64Å; F76-F89 HydrophobicContact CE2-CB 4.44Å; F76-F89 HydrophobicContact CG-CB 4.45Å
77I98.7Very high96.9Very high0 Ų055.4 Ų55.40%028%0.282CS..EExtended strand (participates in β ladder)trans-144.6139.8168.6-168.1179.8000111.6V11 V14 M16 Q21 A24 F79 L88V11-I77 HydrophobicContact CG1-CG1 4.43Å; V14-I77 HydrophobicContact CG2-CB 4.39Å; V14-I77 HydrophobicContact CG2-CG1 4.14Å; M16-I77 HydrophobicContact CE-CB 3.89Å; M16-I77 HydrophobicContact CE-CG2 3.84Å; M16-I77 HydrophobicContact CG-CB 4.47Å; M16-I77 HydrophobicContact SD-CB 3.76Å; M16-I77 HydrophobicContact SD-CD1 4.38Å; M16-I77 HydrophobicContact SD-CG2 3.94Å; Q21-I77 HydrophobicContact CB-CD1 3.86Å; Q21-I77 HydrophobicContact CG-CD1 3.96Å; A24-I77 HydrophobicContact CB-CD1 4.4Å; A24-I77 HydrophobicContact CB-CG2 4.14Å; I77-F79 HydrophobicContact CD1-CD1 3.83Å; I77-F79 HydrophobicContact CD1-CE1 4.34Å; I77-F79 HydrophobicContact CG1-CD1 3.97Å; I77-F79 HydrophobicContact CG2-CD1 4.39Å; I77-F79 HydrophobicContact CG2-CE1 4.4Å; I77-L88 HydrophobicContact CG2-CB 3.84Å; I77-L88 HydrophobicContact CG2-CD2 4.35Å; I77-L88 HydrophobicContact CG2-CG 4.5Å; I77-L88 PolarHBondContact N-O 2.77Å; I77-L88 PolarHBondContact O-N 3.36Å
78F98.7Very high97.1Very high23 Ų2352.6 Ų52.610%0.10126%0.262CS..EExtended strand (participates in β ladder)trans-129.5121.9170.2178-120.5000110.6K12 Y13 F65 F76 Y85 V86 M87K12-F78 HydrophobicContact CB-CD1 3.56Å; K12-F78 HydrophobicContact CB-CE1 4.02Å; K12-F78 HydrophobicContact CD-CD1 3.92Å; K12-F78 HydrophobicContact CD-CE1 3.48Å; K12-F78 VanDerWaalsContact CD-CE1 3.48Å; K12-F78 HydrophobicContact CD-CZ 4.27Å; K12-F78 HydrophobicContact CG-CD1 4.33Å; K12-F78 HydrophobicContact CG-CE1 4.36Å; K12-F78 PolarHBondContact N-O 2.72Å; Y13-F78 AromaticContact CD2-CD1 3.82Å; Y13-F78 HydrophobicContact CD2-CD1 3.82Å; Y13-F78 HydrophobicContact CE2-CD1 4.49Å; Y13-F78 PolarHBondContact N-O 3.21Å; Y13-F78 PolarHBondContact O-N 3.11Å; F65-F78 AromaticContact CE2-CE2 3.84Å; F65-F78 HydrophobicContact CE2-CE2 3.84Å; F65-F78 HydrophobicContact CZ-CD2 4.49Å; F65-F78 AromaticContact CZ-CE2 3.76Å; F65-F78 HydrophobicContact CZ-CE2 3.76Å; F76-F78 HydrophobicContact CE1-CB 4.05Å; F76-F78 HydrophobicContact CZ-CB 3.81Å; F78-Y85 HydrophobicContact CE1-CD1 4.24Å; F78-Y85 AromaticContact CE2-CD1 3.87Å; F78-Y85 HydrophobicContact CE2-CD1 3.87Å; F78-Y85 HydrophobicContact CE2-CG 4.37Å; F78-Y85 AromaticContact CZ-CD1 3.4Å; F78-Y85 HydrophobicContact CZ-CD1 3.4Å; F78-Y85 VanDerWaalsContact CZ-CD1 3.4Å; F78-Y85 HydrophobicContact CZ-CE1 4.08Å; F78-Y85 HydrophobicContact CZ-CG 4.21Å; F78-V86 WeakPolarHBondContact CA-O 3.43Å; F78-V86 VanDerWaalsContact CD2-O 3.23Å; F78-V86 WeakPolarHBondContact CD2-O 3.47Å; F78-M87 HydrophobicContact CB-CE 4.38Å; F78-M87 HydrophobicContact CD2-CB 4.05Å; F78-M87 HydrophobicContact CD2-CE 3.79Å; F78-M87 HydrophobicContact CE2-CE 4.28Å; F78-M87 HydrophobicContact CG-CE 4.16Å
79F98.5Very high97.3Very high0 Ų042.5 Ų42.50%022%0.223CC..EExtended strand (participates in β ladder)trans-143.8165.7-178.465.8-88.8000112.5A9 V10 V11 A24 V25 F28 I77 L81 V86A9-F79 HydrophobicContact CB-CD2 4.06Å; V10-F79 CarbonylContact O-C 3.59Å; V10-F79 VanDerWaalsContact O-CA 3.29Å; V10-F79 WeakPolarHBondContact O-CA 3.36Å; V11-F79 HydrophobicContact CG2-CB 4.28Å; A24-F79 HydrophobicContact CB-CE1 4.3Å; V25-F79 HydrophobicContact CG2-CD1 4.43Å; V25-F79 HydrophobicContact CG2-CD2 4.13Å; V25-F79 HydrophobicContact CG2-CE1 4.37Å; V25-F79 HydrophobicContact CG2-CE2 4.08Å; V25-F79 HydrophobicContact CG2-CG 4.3Å; V25-F79 HydrophobicContact CG2-CZ 4.2Å; F28-F79 HydrophobicContact CB-CE2 4.09Å; F28-F79 HydrophobicContact CB-CZ 3.74Å; F28-F79 AromaticContact CD1-CE2 3.87Å; F28-F79 HydrophobicContact CD1-CE2 3.87Å; F28-F79 HydrophobicContact CD1-CZ 4.33Å; F28-F79 HydrophobicContact CG-CE2 4Å; F28-F79 AromaticContact CG-CZ 3.99Å; F28-F79 HydrophobicContact CG-CZ 3.99Å; I77-F79 HydrophobicContact CD1-CD1 3.83Å; I77-F79 HydrophobicContact CD1-CE1 4.34Å; I77-F79 HydrophobicContact CG1-CD1 3.97Å; I77-F79 HydrophobicContact CG2-CD1 4.39Å; I77-F79 HydrophobicContact CG2-CE1 4.4Å; F79-L81 HydrophobicContact CD2-CB 4.1Å; F79-L81 HydrophobicContact CE2-CB 4.11Å; F79-V86 HydrophobicContact CD1-CB 4.22Å; F79-V86 HydrophobicContact CD2-CB 4.25Å; F79-V86 HydrophobicContact CD2-CG2 4.34Å; F79-V86 HydrophobicContact CE1-CB 3.84Å; F79-V86 HydrophobicContact CE1-CG1 3.78Å; F79-V86 HydrophobicContact CE2-CB 3.86Å; F79-V86 HydrophobicContact CE2-CG1 4.35Å; F79-V86 HydrophobicContact CE2-CG2 3.79Å; F79-V86 HydrophobicContact CG-CB 4.42Å; F79-V86 HydrophobicContact CZ-CB 3.66Å; F79-V86 HydrophobicContact CZ-CG1 3.67Å; F79-V86 HydrophobicContact CZ-CG2 3.96Å; F79-V86 PolarHBondContact N-O 3.02Å; F79-V86 PolarHBondContact O-N 3.2Å
80H98.4Very high97.5Very high56 Ų5642.2 Ų42.226%0.25922%0.22SC..EExtended strand (participates in β ladder)trans-120.2127.6174.6175-102.2000110.8V10 G83 Y84 Y85V10-H80 HydrophobicContact CB-CB 4.49Å; V10-H80 PolarHBondContact N-O 3.28Å; V10-H80 PolarHBondContact O-N 2.66Å; H80-G83 WeakPolarHBondContact NE2-CA 3.43Å; H80-Y84 CarbonylContact C-O 3.56Å; H80-Y84 VanDerWaalsContact CA-O 3.26Å; H80-Y84 WeakPolarHBondContact CA-O 3.42Å; H80-Y84 PolarHBondContact CD2-O 2.72Å; H80-Y85 HydrophobicContact CB-CD1 4.09Å; H80-Y85 HydrophobicContact CB-CE1 4.1Å; H80-Y85 AromaticContact CD2-CE2 3.98Å
81L97.7Very high97.5Very high4 Ų438.3 Ų38.32%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-152.6140179.8179.357.2000110.1P7 A9 V25 F28 F79 G83 Y84P7-L81 HydrophobicContact CB-CD1 3.76Å; P7-L81 WeakPolarHBondContact O-CD1 3.35Å; A9-L81 HydrophobicContact CB-CB 4.15Å; A9-L81 HydrophobicContact CB-CD1 4.42Å; A9-L81 HydrophobicContact CB-CD2 4.21Å; V25-L81 HydrophobicContact CG1-CD2 3.96Å; F28-L81 HydrophobicContact CD1-CB 4.08Å; F28-L81 HydrophobicContact CD1-CD2 3.8Å; F28-L81 HydrophobicContact CD1-CG 4.13Å; F28-L81 HydrophobicContact CE1-CB 3.95Å; F28-L81 HydrophobicContact CE1-CD2 4.33Å; F28-L81 HydrophobicContact CE1-CG 4.16Å; F79-L81 HydrophobicContact CD2-CB 4.1Å; F79-L81 HydrophobicContact CE2-CB 4.11Å; L81-G83 PolarHBondContact O-N 3.45Å; L81-G83 VanDerWaalsContact O-N 3.12Å; L81-Y84 PolarHBondContact N-O 3.19Å; L81-Y84 PolarHBondContact O-N 3.33Å
82N92.1Very high97Very high65 Ų6540.5 Ų40.535%0.34824%0.235SC..THydrogen-bonded Turntrans53.332.3177.6-65.6-5.3000114.7T32 Y84T32-N82 PolarHBondContact OG1-ND2 3.43Å; N82-Y84 VanDerWaalsContact C-N 3.27Å; N82-Y84 HydrophobicContact CB-CD2 4.37Å; N82-Y84 WeakPolarHBondContact O-CD2 3.23Å; N82-Y84 PolarHBondContact O-N 2.94Å
83G94.7Very high97Very high42 Ų4239.4 Ų39.443%0.43323%0.232SC..THydrogen-bonded Turntrans80.15.3-179.100000114.6H80 L81H80-G83 WeakPolarHBondContact NE2-CA 3.43Å; L81-G83 PolarHBondContact O-N 3.45Å; L81-G83 VanDerWaalsContact O-N 3.12Å
84Y98.3Very high97.1Very high38 Ų3832.8 Ų32.815%0.14920%0.204CC..EExtended strand (participates in β ladder)trans-108.7139.6176.1-61.2-73.9000110.8F28 T32 E38 V61 K63 H80 L81 N82F28-Y84 HydrophobicContact CE1-CD2 4.5Å; F28-Y84 AromaticContact CZ-CD2 3.85Å; F28-Y84 HydrophobicContact CZ-CD2 3.85Å; F28-Y84 HydrophobicContact CZ-CG 4.04Å; T32-Y84 HydrophobicContact CG2-CD2 4.45Å; E38-Y84 HydrophobicContact CG-CD1 4.06Å; E38-Y84 HydrophobicContact CG-CE1 3.66Å; V61-Y84 HydrophobicContact CG1-CD1 3.99Å; V61-Y84 HydrophobicContact CG1-CG 4.14Å; K63-Y84 HydrophobicContact CG-CD1 4.2Å; K63-Y84 HydrophobicContact CG-CE1 4.19Å; H80-Y84 CarbonylContact C-O 3.56Å; H80-Y84 VanDerWaalsContact CA-O 3.26Å; H80-Y84 WeakPolarHBondContact CA-O 3.42Å; H80-Y84 PolarHBondContact CD2-O 2.72Å; L81-Y84 PolarHBondContact N-O 3.19Å; L81-Y84 PolarHBondContact O-N 3.33Å; N82-Y84 VanDerWaalsContact C-N 3.27Å; N82-Y84 HydrophobicContact CB-CD2 4.37Å; N82-Y84 WeakPolarHBondContact O-CD2 3.23Å; N82-Y84 PolarHBondContact O-N 2.94Å
85Y98.7Very high97.2Very high70 Ų7030.2 Ų30.228%0.27519%0.192SC..EExtended strand (participates in β ladder)trans-85.8135.2158.4-72-84.3000108.9K12 V61 G62 K63 F65 F78 H80K12-Y85 HydrophobicContact CD-CD1 4.48Å; K12-Y85 HydrophobicContact CD-CE1 4.04Å; V61-Y85 WeakPolarHBondContact CA-O 3.31Å; G62-Y85 PolarHBondContact N-O 3.06Å; G62-Y85 PolarHBondContact O-N 3.29Å; K63-Y85 WeakPolarHBondContact O-CD2 3.01Å; F65-Y85 VanDerWaalsContact CE1-CB 3.44Å; F65-Y85 WeakPolarHBondContact CE1-O 3.37Å; F78-Y85 HydrophobicContact CE1-CD1 4.24Å; F78-Y85 AromaticContact CE2-CD1 3.87Å; F78-Y85 HydrophobicContact CE2-CD1 3.87Å; F78-Y85 HydrophobicContact CE2-CG 4.37Å; F78-Y85 AromaticContact CZ-CD1 3.4Å; F78-Y85 HydrophobicContact CZ-CD1 3.4Å; F78-Y85 VanDerWaalsContact CZ-CD1 3.4Å; F78-Y85 HydrophobicContact CZ-CE1 4.08Å; F78-Y85 HydrophobicContact CZ-CG 4.21Å; H80-Y85 HydrophobicContact CB-CD1 4.09Å; H80-Y85 HydrophobicContact CB-CE1 4.1Å; H80-Y85 AromaticContact CD2-CE2 3.98Å
86V98.8Very high97.1Very high0 Ų031.9 Ų31.90%020%0.203CC..EExtended strand (participates in β ladder)trans-128125-177.3-172.70000108.2F28 L45 V60 V61 F78 F79F28-V86 HydrophobicContact CD1-CG2 4.07Å; F28-V86 HydrophobicContact CD2-CB 4.46Å; F28-V86 HydrophobicContact CD2-CG1 4.1Å; F28-V86 HydrophobicContact CD2-CG2 3.54Å; F28-V86 HydrophobicContact CE1-CG2 3.85Å; F28-V86 HydrophobicContact CE2-CG1 4.48Å; F28-V86 HydrophobicContact CE2-CG2 3.3Å; F28-V86 HydrophobicContact CG-CG2 3.92Å; F28-V86 HydrophobicContact CZ-CG2 3.47Å; F28-V86 VanDerWaalsContact CZ-CG2 3.47Å; L45-V86 HydrophobicContact CD2-CG1 3.89Å; V60-V86 WeakPolarHBondContact O-CA 3.02Å; V61-V86 HydrophobicContact CG2-CG1 4.25Å; V61-V86 HydrophobicContact CG2-CG2 4.48Å; F78-V86 WeakPolarHBondContact CA-O 3.43Å; F78-V86 VanDerWaalsContact CD2-O 3.23Å; F78-V86 WeakPolarHBondContact CD2-O 3.47Å; F79-V86 HydrophobicContact CD1-CB 4.22Å; F79-V86 HydrophobicContact CD2-CB 4.25Å; F79-V86 HydrophobicContact CD2-CG2 4.34Å; F79-V86 HydrophobicContact CE1-CB 3.84Å; F79-V86 HydrophobicContact CE1-CG1 3.78Å; F79-V86 HydrophobicContact CE2-CB 3.86Å; F79-V86 HydrophobicContact CE2-CG1 4.35Å; F79-V86 HydrophobicContact CE2-CG2 3.79Å; F79-V86 HydrophobicContact CG-CB 4.42Å; F79-V86 HydrophobicContact CZ-CB 3.66Å; F79-V86 HydrophobicContact CZ-CG1 3.67Å; F79-V86 HydrophobicContact CZ-CG2 3.96Å; F79-V86 PolarHBondContact N-O 3.02Å; F79-V86 PolarHBondContact O-N 3.2Å
87M98.7Very high97.1Very high6 Ų632.7 Ų32.73%0.0321%0.21CC..EExtended strand (participates in β ladder)trans-119.6117.8172.4179.7169.4-67.700108.5C59 V60 F65 S67 I69 F76 F78 F89C59-M87 CarbonylContact C-O 3.56Å; C59-M87 WeakPolarHBondContact CA-O 3.1Å; V60-M87 HydrophobicContact CB-CB 4.3Å; V60-M87 PolarHBondContact N-O 3.28Å; V60-M87 PolarHBondContact O-N 3.48Å; F65-M87 HydrophobicContact CE2-CB 4.21Å; F65-M87 HydrophobicContact CE2-CE 4.23Å; F65-M87 HydrophobicContact CZ-CB 4.2Å; S67-M87 VanDerWaalsContact CB-CE 3.44Å; S67-M87 WeakPolarHBondContact OG-CE 3.43Å; I69-M87 HydrophobicContact CG1-SD 4.04Å; I69-M87 HydrophobicContact CG2-SD 4.4Å; F76-M87 HydrophobicContact CE2-CE 4.1Å; F76-M87 HydrophobicContact CE2-CG 4Å; F76-M87 HydrophobicContact CE2-SD 4.08Å; F76-M87 HydrophobicContact CZ-CE 4.13Å; F78-M87 HydrophobicContact CB-CE 4.38Å; F78-M87 HydrophobicContact CD2-CB 4.05Å; F78-M87 HydrophobicContact CD2-CE 3.79Å; F78-M87 HydrophobicContact CE2-CE 4.28Å; F78-M87 HydrophobicContact CG-CE 4.16Å; M87-F89 HydrophobicContact CG-CD1 3.77Å; M87-F89 HydrophobicContact CG-CE1 4.21Å; M87-F89 HydrophobicContact SD-CD1 4.31Å; M87-F89 HydrophobicContact SD-CE1 4.37Å
88L98.8Very high96.9Very high0 Ų034.9 Ų34.90%022%0.224CC..EExtended strand (participates in β ladder)trans-122.5122.4177.4176.568.4000107.7A24 L45 Y49 W57 H58 C59 I77A24-L88 HydrophobicContact CB-CD2 3.95Å; L45-L88 HydrophobicContact CD1-CD2 4.29Å; L45-L88 HydrophobicContact CD2-CD2 4.34Å; L45-L88 HydrophobicContact CG-CD1 4.46Å; L45-L88 HydrophobicContact CG-CD2 4.27Å; Y49-L88 HydrophobicContact CD1-CD2 3.81Å; Y49-L88 HydrophobicContact CD1-CG 4.47Å; Y49-L88 HydrophobicContact CD2-CD2 3.67Å; Y49-L88 HydrophobicContact CE1-CD2 3.87Å; Y49-L88 HydrophobicContact CE2-CD2 3.75Å; Y49-L88 HydrophobicContact CG-CD2 3.7Å; W57-L88 HydrophobicContact CB-CD1 4.33Å; W57-L88 HydrophobicContact CE3-CD1 4.07Å; W57-L88 HydrophobicContact CE3-CG 3.94Å; W57-L88 HydrophobicContact CZ3-CG 4.29Å; H58-L88 WeakPolarHBondContact O-CA 3.34Å; C59-L88 HydrophobicContact CB-CD1 4.05Å; I77-L88 HydrophobicContact CG2-CB 3.84Å; I77-L88 HydrophobicContact CG2-CD2 4.35Å; I77-L88 HydrophobicContact CG2-CG 4.5Å; I77-L88 PolarHBondContact N-O 2.77Å; I77-L88 PolarHBondContact O-N 3.36Å
89F98.6Very high96.8Very high25 Ų2535.7 Ų35.711%0.1123%0.233CC..EExtended strand (participates in β ladder)trans-149.9150.2-175.166.4-80.1000112.9W57 H58 V60 I69 H71 G75 F76 M87 A91W57-F89 CarbonylContact C-O 3.36Å; W57-F89 WeakPolarHBondContact CA-O 3.23Å; W57-F89 VanDerWaalsContact CE3-C 3.47Å; H58-F89 HydrophobicContact CB-CD1 4.11Å; H58-F89 HydrophobicContact CB-CD2 4.27Å; H58-F89 HydrophobicContact CB-CE1 3.68Å; H58-F89 HydrophobicContact CB-CE2 3.83Å; H58-F89 HydrophobicContact CB-CG 4.41Å; H58-F89 HydrophobicContact CB-CZ 3.53Å; H58-F89 AromaticContact CD2-CE2 3.99Å; H58-F89 PolarHBondContact N-O 3.49Å; H58-F89 PolarHBondContact O-N 2.95Å; V60-F89 HydrophobicContact CG2-CE1 4.48Å; I69-F89 HydrophobicContact CD1-CB 4.25Å; I69-F89 HydrophobicContact CD1-CD2 3.96Å; I69-F89 HydrophobicContact CD1-CE2 4.46Å; I69-F89 HydrophobicContact CD1-CG 4.03Å; I69-F89 HydrophobicContact CG2-CZ 4.44Å; H71-F89 HydrophobicContact CB-CB 4.17Å; H71-F89 HydrophobicContact CB-CD2 4.41Å; G75-F89 CarbonylContact O-C 3.46Å; G75-F89 WeakPolarHBondContact O-CA 3.12Å; F76-F89 HydrophobicContact CB-CB 4.35Å; F76-F89 HydrophobicContact CD2-CB 3.64Å; F76-F89 HydrophobicContact CE2-CB 4.44Å; F76-F89 HydrophobicContact CG-CB 4.45Å; M87-F89 HydrophobicContact CG-CD1 3.77Å; M87-F89 HydrophobicContact CG-CE1 4.21Å; M87-F89 HydrophobicContact SD-CD1 4.31Å; M87-F89 HydrophobicContact SD-CE1 4.37Å; F89-A91 HydrophobicContact CD2-CB 4.13Å; F89-A91 HydrophobicContact CE2-CB 4.15Å
90K98.5Very high96.7Very high52 Ų5238.5 Ų38.523%0.22625%0.251CS..EExtended strand (participates in β ladder)trans-98.4129.8177.5-161.8179.7175.5-177.30110S55 N56 W57 H71 E72 G75S55-K90 VanDerWaalsContact O-CE 3.32Å; S55-K90 WeakPolarHBondContact O-CE 3.33Å; N56-K90 WeakPolarHBondContact O-CA 3.32Å; W57-K90 HydrophobicContact CD2-CB 3.97Å; W57-K90 HydrophobicContact CD2-CG 4.25Å; W57-K90 HydrophobicContact CE3-CB 3.87Å; W57-K90 HydrophobicContact CH2-CB 4.04Å; W57-K90 HydrophobicContact CZ2-CB 4.13Å; W57-K90 HydrophobicContact CZ2-CD 4.06Å; W57-K90 HydrophobicContact CZ2-CG 4.45Å; W57-K90 HydrophobicContact CZ3-CB 3.92Å; H71-K90 CarbonylContact C-O 3.57Å; H71-K90 VanDerWaalsContact CA-O 3.31Å; H71-K90 WeakPolarHBondContact CA-O 3.48Å; H71-K90 WeakPolarHBondContact CB-O 3.32Å; E72-K90 HydrophobicContact CB-CB 4.34Å; E72-K90 PolarHBondContact N-O 2.75Å; E72-K90 VanDerWaalsContact OE2-CD 3.23Å; E72-K90 WeakPolarHBondContact OE2-CD 3.3Å; E72-K90 WeakPolarHBondContact OE2-CE 3.1Å; E72-K90 IonicContact OE2-NZ 3.49Å; E72-K90 PolarHBondContact OE2-NZ 2.75Å; G75-K90 PolarHBondContact O-N 2.87Å
91A95.9Very high96.5Very high27 Ų2737 Ų3722%0.22325%0.25CC..  trans-157.7121.9176.800000110.4N56 H58 F89N56-A91 PolarHBondContact O-N 3.23Å; H58-A91 PolarHBondContact NE2-O 3.06Å; F89-A91 HydrophobicContact CD2-CB 4.13Å; F89-A91 HydrophobicContact CE2-CB 4.15Å
92G87.7Confident96.4Very high115 Ų11540 Ų40100%1.18627%0.271SS*.  trans-1760172.100000113.3E72E72-G92 PolarHBondContact OE1-N 3.23Å

Retrieved 92 of 92 residues in 60.4 ms (Link to these results)

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