A0A5K4EVK1_SCHMA Loading...

Putative nad dependent epimerase/dehydratase

AlphaFold DB , UniProt , Accession A0A5K4EVK1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 252 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
1M34.9Very low70.1Confident245 Ų24583.3 Ų83.3100%1.20746%0.459SS*.  0101.40-61.1-174.4-159.800105.6
2S38.3Very low72.5Confident113 Ų11376.6 Ų76.679%0.7942%0.423SS*.  trans-61.4140.9170.245.60000107.8S4S2-S4 PolarHBondContact O-N 3.36Å
3E40.1Very low74.5Confident194 Ų19470.7 Ų70.791%0.90739%0.391SS*.  trans-48109.8163.8-72.4174.115100106.7S5E3-S5 PolarHBondContact O-N 2.82Å
4S47Very low76.2Confident60 Ų6065.7 Ų65.742%0.4236%0.363SS..  trans-64.1113.5179.262.80000105.8S2S2-S4 PolarHBondContact O-N 3.36Å
5S56.7Low77.7Confident64 Ų6461.3 Ų61.345%0.44834%0.339SS..  trans-61.9144.9173.374.70000107.8E3 D7E3-S5 PolarHBondContact O-N 2.82Å; S5-D7 WeakPolarHBondContact CB-OD2 3.2Å; S5-D7 PolarHBondContact O-N 3.09Å; S5-D7 WeakPolarHBondContact OG-CB 3.4Å; S5-D7 VanDerWaalsContact OG-CG 3.32Å; S5-D7 PolarHBondContact OG-OD2 3.47Å
6N71.6Confident79Confident93 Ų9357.6 Ų57.650%0.49732%0.319SS..SBendtrans-71.331.2175-84.94.7000111.6N79N6-N79 PolarHBondContact ND2-OD1 3.22Å
7D90.2Very high80.2Confident76 Ų7655.5 Ų55.541%0.40631%0.305SS..  trans-99.5140.4-175.8-63.3-35.9000110.4S5 L9 Y100S5-D7 WeakPolarHBondContact CB-OD2 3.2Å; S5-D7 PolarHBondContact O-N 3.09Å; S5-D7 WeakPolarHBondContact OG-CB 3.4Å; S5-D7 VanDerWaalsContact OG-CG 3.32Å; S5-D7 PolarHBondContact OG-OD2 3.47Å; D7-L9 PolarHBondContact O-N 3.18Å; D7-Y100 HydrophobicContact CB-CD1 3.96Å; D7-Y100 HydrophobicContact CB-CE1 4.33Å
8L96.5Very high81.2Confident3 Ų352.5 Ų52.52%0.01629%0.288CS..  trans-63132.2168.2-79.5173.3000110.2L78 Y81 E82 A83 V84 L96 Y100 A103L8-L78 HydrophobicContact CD1-CB 4.19Å; L8-L78 HydrophobicContact CD1-CD1 3.8Å; L8-L78 HydrophobicContact CD1-CG 4.48Å; L8-Y81 WeakPolarHBondContact CD2-O 3.32Å; L8-E82 VanDerWaalsContact CD2-C 3.45Å; L8-A83 VanDerWaalsContact CD2-C 3.48Å; L8-A83 VanDerWaalsContact CD2-CA 3.5Å; L8-A83 VanDerWaalsContact CD2-N 3.34Å; L8-V84 HydrophobicContact CD1-CB 4.4Å; L8-V84 HydrophobicContact CD1-CG1 3.76Å; L8-V84 HydrophobicContact CD2-CB 4.4Å; L8-V84 HydrophobicContact CD2-CG1 4.3Å; L8-L96 HydrophobicContact CD1-CD2 4.18Å; L8-Y100 HydrophobicContact CB-CD1 4.07Å; L8-Y100 HydrophobicContact CB-CD2 3.9Å; L8-Y100 HydrophobicContact CB-CE1 4.26Å; L8-Y100 HydrophobicContact CB-CE2 4.13Å; L8-Y100 HydrophobicContact CB-CG 3.86Å; L8-Y100 HydrophobicContact CD1-CD2 3.88Å; L8-Y100 HydrophobicContact CD1-CE2 3.56Å; L8-Y100 HydrophobicContact CG-CD2 4.3Å; L8-Y100 HydrophobicContact CG-CE2 4.05Å; L8-A103 VanDerWaalsContact O-CB 3.24Å; L8-A103 WeakPolarHBondContact O-CB 3.23Å
9L97.8Very high82.1Confident67 Ų6750.7 Ų50.735%0.35128%0.283SS..SBendtrans-93.3-30.4173.3-58.9179.4000111.8D7 Y31 E82 A103 K104D7-L9 PolarHBondContact O-N 3.18Å; L9-Y31 HydrophobicContact CD1-CD1 3.67Å; L9-Y31 HydrophobicContact CD1-CE1 3.51Å; L9-Y31 HydrophobicContact CD1-CG 4.35Å; L9-E82 HydrophobicContact CD1-CB 4.5Å; L9-E82 WeakPolarHBondContact CD1-OE2 3.37Å; L9-E82 WeakPolarHBondContact CG-OE2 3.27Å; L9-E82 PolarHBondContact N-O 3.47Å; L9-A103 CarbonylContact O-C 3.56Å; L9-A103 VanDerWaalsContact O-CA 3.31Å; L9-A103 WeakPolarHBondContact O-CA 3.17Å; L9-K104 PolarHBondContact O-N 2.93Å
10V98.6Very high82.9Confident0 Ų048.4 Ų48.40%027%0.27CS..EExtended strand (participates in β ladder)trans-135.9128-175.1-179.50000112.4L27 Y31 E82 A83 V84 K104 L106 L209V10-L27 HydrophobicContact CB-CD1 4.34Å; V10-L27 HydrophobicContact CB-CD2 4.33Å; V10-L27 HydrophobicContact CG1-CD1 3.87Å; V10-L27 HydrophobicContact CG1-CD2 4.12Å; V10-L27 HydrophobicContact CG2-CD2 4.07Å; V10-Y31 HydrophobicContact CG2-CE2 3.81Å; V10-E82 PolarHBondContact N-O 3.32Å; V10-A83 HydrophobicContact CB-CB 3.93Å; V10-A83 VanDerWaalsContact O-CA 3.26Å; V10-A83 WeakPolarHBondContact O-CA 3.48Å; V10-V84 PolarHBondContact O-N 3.21Å; V10-V84 VanDerWaalsContact O-N 3.08Å; V10-K104 CarbonylContact C-O 3.56Å; V10-K104 WeakPolarHBondContact CA-O 3.32Å; V10-L106 HydrophobicContact CG1-CD1 3.48Å; V10-L106 VanDerWaalsContact CG1-CD1 3.48Å; V10-L106 HydrophobicContact CG1-CG 3.73Å; V10-L209 HydrophobicContact CG2-CD1 4.32Å; V10-L209 HydrophobicContact CG2-CD2 3.73Å
11I98.9Very high83.6Confident1 Ų146.3 Ų46.31%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-109.2111.6174.5-59.1162.7000108.8A13 L96 M97 A103 K104 V105 L106I11-A13 PolarHBondContact O-N 3.02Å; I11-L96 HydrophobicContact CD1-CB 3.68Å; I11-L96 HydrophobicContact CG1-CB 4.07Å; I11-L96 HydrophobicContact CG2-CB 4.24Å; I11-L96 HydrophobicContact CG2-CD1 4.04Å; I11-M97 HydrophobicContact CD1-CG 4Å; I11-A103 HydrophobicContact CD1-CB 3.79Å; I11-A103 HydrophobicContact CG1-CB 4.01Å; I11-K104 PolarHBondContact N-O 2.99Å; I11-V105 HydrophobicContact CB-CG2 4.4Å; I11-V105 CarbonylContact O-C 3.58Å; I11-V105 WeakPolarHBondContact O-CA 3.47Å; I11-L106 PolarHBondContact O-N 3.44Å
12G98.8Very high86.6Confident3 Ų335.1 Ų35.13%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-86.999.617400000111.4G14 V84 L106G12-G14 PolarHBondContact O-N 3.33Å; G12-V84 VanDerWaalsContact CA-O 3.25Å; G12-V84 WeakPolarHBondContact CA-O 3.41Å; G12-V84 PolarHBondContact N-O 2.94Å; G12-L106 CarbonylContact C-O 3.58Å; G12-L106 WeakPolarHBondContact CA-O 3.2Å
13A98.9Very high89.4Confident0 Ų029.8 Ų29.80%017%0.167CC..  trans-81.13.617300000112.7I11 L15 Y93 V105 L106 L107 Y180 V184I11-A13 PolarHBondContact O-N 3.02Å; A13-L15 PolarHBondContact O-N 3.43Å; A13-Y93 HydrophobicContact CB-CG 4.16Å; A13-V105 HydrophobicContact CB-CG1 4.12Å; A13-L106 PolarHBondContact N-O 2.9Å; A13-L107 HydrophobicContact CB-CD1 4.44Å; A13-Y180 WeakPolarHBondContact O-CE1 3.5Å; A13-Y180 PolarHBondContact O-OH 3.47Å; A13-V184 HydrophobicContact CB-CG1 3.95Å; A13-V184 HydrophobicContact CB-CG2 4.3Å
14G98.8Very high92.2Very high1 Ų120.6 Ų20.61%0.0112%0.124CC..PPolyproline II helixtrans-65.1128.7176.500000112.9G12 T108G12-G14 PolarHBondContact O-N 3.33Å; G14-T108 WeakPolarHBondContact CA-OG1 3.43Å
15L98.8Very high94.6Very high0 Ų019.5 Ų19.50%011%0.113CC..PPolyproline II helixtrans-64161.9172.6-74.7169.5000112.2A13 R17 T18 A159 F160 Y177 Y180A13-L15 PolarHBondContact O-N 3.43Å; L15-R17 PolarHBondContact O-N 2.63Å; L15-T18 WeakPolarHBondContact O-CG2 3.37Å; L15-T18 PolarHBondContact O-N 2.97Å; L15-T18 PolarHBondContact O-OG1 3.37Å; L15-A159 HydrophobicContact CD2-CB 4.19Å; L15-F160 HydrophobicContact CD1-CE1 3.7Å; L15-F160 HydrophobicContact CD1-CZ 4.3Å; L15-F160 HydrophobicContact CD2-CE1 4.12Å; L15-F160 HydrophobicContact CD2-CZ 4.49Å; L15-Y177 HydrophobicContact CD1-CD2 3.59Å; L15-Y177 HydrophobicContact CD1-CE2 4.12Å; L15-Y180 HydrophobicContact CD1-CD1 3.45Å; L15-Y180 VanDerWaalsContact CD1-CD1 3.45Å; L15-Y180 HydrophobicContact CD1-CE1 4.05Å; L15-Y180 HydrophobicContact CD1-CG 3.81Å; L15-Y180 HydrophobicContact CD2-CD1 4.14Å; L15-Y180 HydrophobicContact CD2-CD2 4.47Å; L15-Y180 HydrophobicContact CD2-CE1 4.06Å; L15-Y180 HydrophobicContact CD2-CE2 4.38Å; L15-Y180 HydrophobicContact CD2-CG 4.35Å; L15-Y180 HydrophobicContact CG-CD1 3.56Å; L15-Y180 HydrophobicContact CG-CE1 3.6Å; L15-Y180 HydrophobicContact CG-CG 4.16Å
16P98.6Very high96.5Very high2 Ų216.4 Ų16.41%0.0139%0.092CC..THydrogen-bonded Turntrans-55.1146176.6-23.431.7000111.3T18 D86 V87 R115 L156P16-T18 VanDerWaalsContact C-N 3.34Å; P16-D86 VanDerWaalsContact CA-OD1 3.25Å; P16-D86 WeakPolarHBondContact CA-OD1 3.48Å; P16-D86 WeakPolarHBondContact CB-OD1 3.31Å; P16-D86 VanDerWaalsContact CG-OD1 3.3Å; P16-D86 WeakPolarHBondContact CG-OD1 3.4Å; P16-V87 HydrophobicContact CG-CB 4.12Å; P16-V87 HydrophobicContact CG-CG1 3.55Å; P16-V87 HydrophobicContact CG-CG2 3.59Å; P16-R115 PolarHBondContact O-NE 3.35Å; P16-R115 PolarHBondContact O-NH2 3.01Å; P16-L156 HydrophobicContact CG-CD2 4.22Å
17R98.3Very high97.8Very high22 Ų2212 Ų128%0.0837%0.068CC..THydrogen-bonded Turntrans71.918.7177.1-42.3-51.9-58.8167.44.4115.3L15 R110 R115 S118 L119 V123 N223L15-R17 PolarHBondContact O-N 2.63Å; R17-R110 WeakPolarHBondContact O-CD 3.48Å; R17-R115 HydrophobicContact CB-CG 4.46Å; R17-S118 PolarHBondContact NE-OG 3.02Å; R17-S118 PolarHBondContact NH2-OG 3.46Å; R17-S118 VanDerWaalsContact NH2-OG 3.14Å; R17-L119 HydrophobicContact CG-CB 4.38Å; R17-L119 HydrophobicContact CG-CD1 3.99Å; R17-V123 HydrophobicContact CG-CG2 4.13Å; R17-N223 VanDerWaalsContact NH1-CG 3.34Å; R17-N223 PolarHBondContact NH1-ND2 2.84Å; R17-N223 PolarHBondContact NH1-O 3.08Å; R17-N223 PolarHBondContact NH1-OD1 3.39Å; R17-N223 PolarHBondContact NH2-O 3.07Å
18T98.5Very high98.1Very high1 Ų110.6 Ų10.61%0.0066%0.059CC..SBendtrans-103.314.4171.566.10000113.9L15 P16 T108 R110 R115 Y177L15-T18 WeakPolarHBondContact O-CG2 3.37Å; L15-T18 PolarHBondContact O-N 2.97Å; L15-T18 PolarHBondContact O-OG1 3.37Å; P16-T18 VanDerWaalsContact C-N 3.34Å; T18-T108 WeakPolarHBondContact CB-O 3.27Å; T18-T108 WeakPolarHBondContact CG2-O 3.42Å; T18-T108 WeakPolarHBondContact O-CB 3.49Å; T18-T108 WeakPolarHBondContact OG1-CB 3.43Å; T18-T108 PolarHBondContact OG1-O 3.16Å; T18-T108 VanDerWaalsContact OG1-O 3.05Å; T18-T108 PolarHBondContact OG1-OG1 3.35Å; T18-R110 HydrophobicContact CG2-CG 4.43Å; T18-R115 HydrophobicContact CG2-CG 4.14Å; T18-Y177 HydrophobicContact CG2-CE2 3.9Å
19G97.7Very high98.2Very high18 Ų1812.2 Ų12.219%0.1867%0.067CC..SBendtrans99.417.1-177.600000114.5K21 S22 L23G19-K21 PolarHBondContact O-N 3.38Å; G19-S22 WeakPolarHBondContact O-CB 3.4Å; G19-S22 PolarHBondContact O-N 3.11Å; G19-L23 PolarHBondContact O-N 3.41Å
20T98.3Very high98.2Very high5 Ų510.3 Ų10.33%0.0316%0.057CC..Hα-helixtrans-55.3-43.1-178.152.50000113.6L23 K24 H37 D86T20-L23 PolarHBondContact O-N 3.34Å; T20-K24 WeakPolarHBondContact O-CB 3.11Å; T20-K24 PolarHBondContact O-N 3.36Å; T20-H37 PolarHBondContact OG1-NE2 3.41Å; T20-H37 VanDerWaalsContact OG1-NE2 3.11Å; T20-D86 HydrophobicContact CG2-CB 4.16Å
21K97.7Very high98Very high5 Ų512.8 Ų12.82%0.0227%0.067CC..Hα-helixtrans-69.9-36.8178.7-172.856.3166.977.60113.2G19 K24 N25 H37 T39 I222 N223 D250 W251G19-K21 PolarHBondContact O-N 3.38Å; K21-K24 HydrophobicContact CD-CD 3.71Å; K21-K24 WeakPolarHBondContact O-CB 3.28Å; K21-K24 PolarHBondContact O-N 2.91Å; K21-N25 PolarHBondContact O-N 3.26Å; K21-N25 VanDerWaalsContact O-N 3.11Å; K21-H37 WeakPolarHBondContact CA-NE2 3.2Å; K21-H37 PolarHBondContact N-NE2 3.17Å; K21-H37 VanDerWaalsContact N-NE2 3.18Å; K21-T39 HydrophobicContact CD-CG2 4.09Å; K21-I222 HydrophobicContact CG-CD1 3.79Å; K21-I222 HydrophobicContact CG-CG1 4.24Å; K21-N223 HydrophobicContact CB-CB 3.75Å; K21-N223 WeakPolarHBondContact CB-ND2 3.35Å; K21-N223 HydrophobicContact CG-CB 3.97Å; K21-D250 PolarHBondContact NZ-O 2.89Å; K21-W251 WeakPolarHBondContact CE-O 3.35Å; K21-W251 PolarHBondContact NZ-O 2.79Å
22S97.6Very high97.9Very high9 Ų920.4 Ų20.46%0.06310%0.102CC..Hα-helixtrans-63.4-43.9170.7-78.90000111G19 N25 A26 S220 I222G19-S22 WeakPolarHBondContact O-CB 3.4Å; G19-S22 PolarHBondContact O-N 3.11Å; S22-N25 PolarHBondContact O-N 2.9Å; S22-A26 WeakPolarHBondContact O-CB 3.42Å; S22-A26 PolarHBondContact O-N 3.18Å; S22-S220 WeakPolarHBondContact CB-O 3.4Å; S22-S220 PolarHBondContact OG-O 2.7Å; S22-I222 PolarHBondContact OG-N 2.97Å
23L98.3Very high97.8Very high1 Ų124.6 Ų24.61%0.00512%0.12CC..Hα-helixtrans-62.9-43.6176.3178.860.8000111.7G19 T20 N25 A26 L27 T85 L106 T108 L205G19-L23 PolarHBondContact O-N 3.41Å; T20-L23 PolarHBondContact O-N 3.34Å; L23-N25 VanDerWaalsContact C-N 3.33Å; L23-N25 PolarHBondContact O-N 2.9Å; L23-A26 WeakPolarHBondContact O-CB 3.45Å; L23-A26 PolarHBondContact O-N 3.07Å; L23-L27 HydrophobicContact CD1-CD1 3.98Å; L23-L27 HydrophobicContact CD1-CD2 4.43Å; L23-L27 HydrophobicContact CD1-CG 3.98Å; L23-L27 HydrophobicContact CD2-CD1 4.5Å; L23-L27 HydrophobicContact CG-CD1 3.85Å; L23-L27 HydrophobicContact CG-CG 4.3Å; L23-L27 VanDerWaalsContact O-CG 3.27Å; L23-L27 WeakPolarHBondContact O-CG 3.38Å; L23-L27 PolarHBondContact O-N 3.31Å; L23-T85 HydrophobicContact CD2-CG2 3.94Å; L23-T85 HydrophobicContact CG-CG2 4.1Å; L23-L106 HydrophobicContact CD1-CD1 3.78Å; L23-L106 HydrophobicContact CD2-CB 4.31Å; L23-L106 HydrophobicContact CD2-CD1 3.96Å; L23-L106 HydrophobicContact CG-CD1 4.4Å; L23-T108 HydrophobicContact CD2-CG2 3.82Å; L23-L205 HydrophobicContact CD1-CD1 4.29Å; L23-L205 HydrophobicContact CD1-CD2 4.04Å
24K98.3Very high97.6Very high2 Ų226.9 Ų26.91%0.00913%0.134CC..Hα-helixtrans-51.2-54.1173-178.9-154.8-169.7-68.20110.6T20 K21 A26 L27 E28 C35 H37 E40T20-K24 WeakPolarHBondContact O-CB 3.11Å; T20-K24 PolarHBondContact O-N 3.36Å; K21-K24 HydrophobicContact CD-CD 3.71Å; K21-K24 WeakPolarHBondContact O-CB 3.28Å; K21-K24 PolarHBondContact O-N 2.91Å; K24-A26 VanDerWaalsContact C-N 3.33Å; K24-A26 PolarHBondContact O-N 3.18Å; K24-L27 PolarHBondContact O-N 2.92Å; K24-E28 IonicContact NZ-OE1 3.25Å; K24-E28 PolarHBondContact NZ-OE1 3Å; K24-E28 IonicContact NZ-OE2 2.84Å; K24-E28 PolarHBondContact NZ-OE2 2.93Å; K24-E28 WeakPolarHBondContact O-CG 3.32Å; K24-E28 PolarHBondContact O-N 2.81Å; K24-C35 HydrophobicContact CB-CB 4.37Å; K24-C35 WeakPolarHBondContact CE-O 3.45Å; K24-C35 HydrophobicContact CG-CB 3.63Å; K24-C35 WeakPolarHBondContact CG-O 3.44Å; K24-C35 PolarHBondContact NZ-O 3.42Å; K24-H37 HydrophobicContact CD-CB 3.66Å; K24-H37 HydrophobicContact CG-CB 4.19Å; K24-E40 WeakPolarHBondContact CE-OE1 3.46Å; K24-E40 IonicContact NZ-OE1 3.9Å; K24-E40 PolarHBondContact NZ-OE1 2.91Å
25N97.5Very high97.6Very high36 Ų3626.8 Ų26.819%0.19313%0.134CC..Hα-helixtrans-62.7-40.7-179.4-176.1-110.5000112.1K21 S22 L23 L27 E28 I29 S220 I222K21-N25 PolarHBondContact O-N 3.26Å; K21-N25 VanDerWaalsContact O-N 3.11Å; S22-N25 PolarHBondContact O-N 2.9Å; L23-N25 VanDerWaalsContact C-N 3.33Å; L23-N25 PolarHBondContact O-N 2.9Å; N25-L27 PolarHBondContact O-N 3.18Å; N25-E28 PolarHBondContact O-N 3.04Å; N25-I29 WeakPolarHBondContact O-CD1 3.49Å; N25-I29 VanDerWaalsContact O-CG1 3.31Å; N25-I29 WeakPolarHBondContact O-CG1 3.45Å; N25-I29 PolarHBondContact O-N 2.85Å; N25-I29 WeakPolarHBondContact OD1-CD1 3.27Å; N25-S220 WeakPolarHBondContact OD1-CB 3.41Å; N25-S220 PolarHBondContact OD1-OG 3Å; N25-I222 HydrophobicContact CB-CD1 4.2Å
26A97.8Very high97.6Very high0 Ų026.9 Ų26.90%013%0.134CC..Hα-helixtrans-60.7-42.3175.900000112.7S22 L23 K24 I29 I30 W202 L205 Y219S22-A26 WeakPolarHBondContact O-CB 3.42Å; S22-A26 PolarHBondContact O-N 3.18Å; L23-A26 WeakPolarHBondContact O-CB 3.45Å; L23-A26 PolarHBondContact O-N 3.07Å; K24-A26 VanDerWaalsContact C-N 3.33Å; K24-A26 PolarHBondContact O-N 3.18Å; A26-I29 PolarHBondContact O-N 3.41Å; A26-I30 WeakPolarHBondContact O-CG1 3.38Å; A26-I30 PolarHBondContact O-N 2.88Å; A26-W202 HydrophobicContact CB-CH2 3.54Å; A26-W202 HydrophobicContact CB-CZ2 4.42Å; A26-W202 HydrophobicContact CB-CZ3 3.6Å; A26-L205 HydrophobicContact CB-CD2 4.21Å; A26-Y219 HydrophobicContact CB-CD2 4.29Å; A26-Y219 HydrophobicContact CB-CE2 3.66Å
27L98Very high97.6Very high1 Ų126.9 Ų26.91%0.00513%0.134CC..Hα-helixtrans-68.4-36.6177.4-65.9170.5000111.9V10 L23 K24 N25 I29 I30 Y31 C35 A83 T85 L106 L209V10-L27 HydrophobicContact CB-CD1 4.34Å; V10-L27 HydrophobicContact CB-CD2 4.33Å; V10-L27 HydrophobicContact CG1-CD1 3.87Å; V10-L27 HydrophobicContact CG1-CD2 4.12Å; V10-L27 HydrophobicContact CG2-CD2 4.07Å; L23-L27 HydrophobicContact CD1-CD1 3.98Å; L23-L27 HydrophobicContact CD1-CD2 4.43Å; L23-L27 HydrophobicContact CD1-CG 3.98Å; L23-L27 HydrophobicContact CD2-CD1 4.5Å; L23-L27 HydrophobicContact CG-CD1 3.85Å; L23-L27 HydrophobicContact CG-CG 4.3Å; L23-L27 VanDerWaalsContact O-CG 3.27Å; L23-L27 WeakPolarHBondContact O-CG 3.38Å; L23-L27 PolarHBondContact O-N 3.31Å; K24-L27 PolarHBondContact O-N 2.92Å; N25-L27 PolarHBondContact O-N 3.18Å; L27-I29 VanDerWaalsContact C-N 3.34Å; L27-I30 PolarHBondContact O-N 2.92Å; L27-Y31 HydrophobicContact CB-CD2 4.45Å; L27-Y31 HydrophobicContact CD2-CD2 4.42Å; L27-Y31 HydrophobicContact CD2-CE2 3.98Å; L27-Y31 WeakPolarHBondContact O-CB 3.33Å; L27-Y31 WeakPolarHBondContact O-CD2 3.31Å; L27-Y31 PolarHBondContact O-N 2.97Å; L27-C35 HydrophobicContact CB-CB 4.43Å; L27-A83 HydrophobicContact CB-CB 4.18Å; L27-A83 HydrophobicContact CD1-CB 3.71Å; L27-A83 HydrophobicContact CG-CB 4.46Å; L27-T85 HydrophobicContact CD1-CG2 4.23Å; L27-L106 HydrophobicContact CD2-CD1 4.42Å; L27-L209 HydrophobicContact CD2-CD1 3.85Å
28E97.1Very high97.6Very high45 Ų4526.5 Ų26.521%0.2113%0.133CC..Hα-helixtrans-66.4-35.3174.6-69.5-178.415300112.4K24 N25 H32 K33 P34 C35K24-E28 IonicContact NZ-OE1 3.25Å; K24-E28 PolarHBondContact NZ-OE1 3Å; K24-E28 IonicContact NZ-OE2 2.84Å; K24-E28 PolarHBondContact NZ-OE2 2.93Å; K24-E28 WeakPolarHBondContact O-CG 3.32Å; K24-E28 PolarHBondContact O-N 2.81Å; N25-E28 PolarHBondContact O-N 3.04Å; E28-H32 VanDerWaalsContact O-CA 3.28Å; E28-H32 WeakPolarHBondContact O-CA 3.24Å; E28-H32 PolarHBondContact O-N 2.83Å; E28-K33 WeakPolarHBondContact CG-O 3.13Å; E28-P34 WeakPolarHBondContact OE1-CA 3.4Å; E28-C35 HydrophobicContact CG-CB 3.83Å; E28-C35 PolarHBondContact OE1-N 3.06Å
29I97.2Very high97.5Very high38 Ų3826.7 Ų26.720%0.19514%0.135CC..Hα-helixtrans-65.4-44.4172.9-69.6160.4000110.8N25 A26 L27 H32 W202 P214 I217N25-I29 WeakPolarHBondContact O-CD1 3.49Å; N25-I29 VanDerWaalsContact O-CG1 3.31Å; N25-I29 WeakPolarHBondContact O-CG1 3.45Å; N25-I29 PolarHBondContact O-N 2.85Å; N25-I29 WeakPolarHBondContact OD1-CD1 3.27Å; A26-I29 PolarHBondContact O-N 3.41Å; L27-I29 VanDerWaalsContact C-N 3.34Å; I29-H32 PolarHBondContact O-CE1 2.96Å; I29-H32 PolarHBondContact O-ND1 2.69Å; I29-W202 HydrophobicContact CB-CH2 4.22Å; I29-W202 HydrophobicContact CD1-CH2 4.32Å; I29-W202 HydrophobicContact CD1-CZ2 4.29Å; I29-W202 HydrophobicContact CG2-CH2 4.16Å; I29-W202 HydrophobicContact CG2-CZ2 4.46Å; I29-P214 HydrophobicContact CG2-CB 3.79Å; I29-P214 HydrophobicContact CG2-CG 3.64Å; I29-I217 HydrophobicContact CD1-CG2 4.09Å; I29-I217 HydrophobicContact CG2-CD1 4.11Å
30I97.5Very high97.4Very high26 Ų2626 Ų2613%0.13313%0.127CC..Hα-helixtrans-67-48.4-179.3-72.4168.5000111.5A26 L27 W202 L205 L209 V211 P214A26-I30 WeakPolarHBondContact O-CG1 3.38Å; A26-I30 PolarHBondContact O-N 2.88Å; L27-I30 PolarHBondContact O-N 2.92Å; I30-W202 HydrophobicContact CD1-CE3 4.29Å; I30-W202 HydrophobicContact CD1-CZ3 3.64Å; I30-W202 HydrophobicContact CG1-CH2 4.45Å; I30-W202 HydrophobicContact CG1-CZ3 3.86Å; I30-L205 HydrophobicContact CD1-CD2 4.19Å; I30-L205 HydrophobicContact CD1-CG 4.4Å; I30-L209 HydrophobicContact CD1-CD1 4.14Å; I30-V211 HydrophobicContact CD1-CG2 4.14Å; I30-V211 HydrophobicContact CG1-CG2 4.35Å; I30-V211 HydrophobicContact CG2-CB 4.23Å; I30-V211 HydrophobicContact CG2-CG1 4.03Å; I30-V211 HydrophobicContact CG2-CG2 3.82Å; I30-P214 HydrophobicContact CG1-CG 4.41Å
31Y96.4Very high97.4Very high52 Ų5225.8 Ų25.820%0.20413%0.125CC..Hα-helixtrans-98.5-9.6-168.3-66.9-63.1000114.2L9 V10 L27 K33 L209L9-Y31 HydrophobicContact CD1-CD1 3.67Å; L9-Y31 HydrophobicContact CD1-CE1 3.51Å; L9-Y31 HydrophobicContact CD1-CG 4.35Å; V10-Y31 HydrophobicContact CG2-CE2 3.81Å; L27-Y31 HydrophobicContact CB-CD2 4.45Å; L27-Y31 HydrophobicContact CD2-CD2 4.42Å; L27-Y31 HydrophobicContact CD2-CE2 3.98Å; L27-Y31 WeakPolarHBondContact O-CB 3.33Å; L27-Y31 WeakPolarHBondContact O-CD2 3.31Å; L27-Y31 PolarHBondContact O-N 2.97Å; Y31-K33 WeakPolarHBondContact O-CG 3.26Å; Y31-K33 PolarHBondContact O-N 2.86Å; Y31-L209 HydrophobicContact CE2-CD1 4.23Å
32H95.7Very high97.4Very high162 Ų16226.6 Ų26.675%0.7513%0.129SC*.SBendtrans54.232.8-177-53.4-57.1000113.6E28 I29E28-H32 VanDerWaalsContact O-CA 3.28Å; E28-H32 WeakPolarHBondContact O-CA 3.24Å; E28-H32 PolarHBondContact O-N 2.83Å; I29-H32 PolarHBondContact O-CE1 2.96Å; I29-H32 PolarHBondContact O-ND1 2.69Å
33K95.9Very high97.2Very high91 Ų9128.3 Ų28.340%0.39614%0.137SC..SBendtrans-148.6153.9-172.9-74.6-74-167161.30109.1E28 Y31 E82E28-K33 WeakPolarHBondContact CG-O 3.13Å; Y31-K33 WeakPolarHBondContact O-CG 3.26Å; Y31-K33 PolarHBondContact O-N 2.86Å; K33-E82 HydrophobicContact CB-CB 4.05Å; K33-E82 HydrophobicContact CB-CG 3.24Å; K33-E82 HydrophobicContact CD-CG 4.4Å; K33-E82 HydrophobicContact CG-CG 3.59Å
34P96.5Very high97Very high47 Ų4733.7 Ų33.731%0.30516%0.161SC..  trans-70146.5-170.430-35.3000112.1E28 N80 Y81 E82E28-P34 WeakPolarHBondContact OE1-CA 3.4Å; P34-N80 WeakPolarHBondContact CG-O 3.23Å; P34-Y81 HydrophobicContact CB-CD1 3.71Å; P34-Y81 HydrophobicContact CB-CE1 3.86Å; P34-Y81 HydrophobicContact CG-CD1 3.92Å; P34-Y81 HydrophobicContact CG-CE1 4.27Å; P34-Y81 HydrophobicContact CG-CG 4.46Å; P34-Y81 WeakPolarHBondContact O-CA 3.35Å; P34-E82 PolarHBondContact O-N 2.87Å; P34-E82 VanDerWaalsContact O-N 3.09Å
35C97.8Very high96.9Very high0 Ų037.3 Ų37.30%018%0.178CC..EExtended strand (participates in β ladder)trans-111.4126.7170.1176.10000109.4K24 L27 E28 A83K24-C35 HydrophobicContact CB-CB 4.37Å; K24-C35 WeakPolarHBondContact CE-O 3.45Å; K24-C35 HydrophobicContact CG-CB 3.63Å; K24-C35 WeakPolarHBondContact CG-O 3.44Å; K24-C35 PolarHBondContact NZ-O 3.42Å; L27-C35 HydrophobicContact CB-CB 4.43Å; E28-C35 HydrophobicContact CG-CB 3.83Å; E28-C35 PolarHBondContact OE1-N 3.06Å; C35-A83 CarbonylContact C-O 3.51Å; C35-A83 VanDerWaalsContact CA-O 3.31Å; C35-A83 WeakPolarHBondContact CA-O 3.18Å; C35-A83 HydrophobicContact CB-CB 3.94Å; C35-A83 VanDerWaalsContact SG-CB 3.57Å
36Y98.5Very high96.8Very high1 Ų139 Ų390%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-67.9144.2178.4-157.5-81.9000110.7I41 D48 W52 I77 L78 Y81 A83 V84 T85Y36-I41 HydrophobicContact CE1-CD1 4Å; Y36-I41 HydrophobicContact CE1-CG1 3.94Å; Y36-I41 VanDerWaalsContact OH-CG1 3.25Å; Y36-I41 WeakPolarHBondContact OH-CG1 3.44Å; Y36-D48 PolarHBondContact OH-OD2 3.45Å; Y36-W52 HydrophobicContact CE1-CZ2 4.04Å; Y36-W52 AromaticContact CE1-NE1 3.74Å; Y36-W52 AromaticContact CZ-NE1 3.6Å; Y36-W52 PolarHBondContact OH-NE1 2.66Å; Y36-I77 HydrophobicContact CE2-CG2 3.7Å; Y36-I77 WeakPolarHBondContact OH-CG2 3.48Å; Y36-L78 HydrophobicContact CD1-CD2 4.13Å; Y36-L78 HydrophobicContact CD2-CD2 3.71Å; Y36-L78 HydrophobicContact CE2-CD2 4.34Å; Y36-L78 HydrophobicContact CG-CD2 3.6Å; Y36-Y81 HydrophobicContact CD2-CD1 4.14Å; Y36-Y81 AromaticContact CD2-CD2 3.8Å; Y36-Y81 HydrophobicContact CD2-CD2 3.8Å; Y36-Y81 AromaticContact CD2-CE1 3.83Å; Y36-Y81 HydrophobicContact CD2-CE1 3.83Å; Y36-Y81 AromaticContact CD2-CE2 3.46Å; Y36-Y81 HydrophobicContact CD2-CE2 3.46Å; Y36-Y81 VanDerWaalsContact CD2-CE2 3.46Å; Y36-Y81 HydrophobicContact CD2-CG 4.11Å; Y36-Y81 AromaticContact CD2-CZ 3.46Å; Y36-Y81 VanDerWaalsContact CD2-CZ 3.46Å; Y36-Y81 AromaticContact CE2-CE2 3.95Å; Y36-Y81 HydrophobicContact CE2-CE2 3.95Å; Y36-Y81 HydrophobicContact CG-CE1 4.41Å; Y36-Y81 VanDerWaalsContact N-CD1 3.33Å; Y36-A83 PolarHBondContact N-O 2.89Å; Y36-V84 HydrophobicContact CD1-CG2 4.41Å; Y36-T85 PolarHBondContact O-N 3.48Å; Y36-T85 PolarHBondContact O-OG1 3.14Å; Y36-T85 VanDerWaalsContact O-OG1 3.06Å
37H98.4Very high96.8Very high3 Ų345.5 Ų45.51%0.01422%0.219CC..  trans-163.7160.5179.3-170.5-66.9000108.6T20 K21 K24 T39 E40 T85 D86T20-H37 PolarHBondContact OG1-NE2 3.41Å; T20-H37 VanDerWaalsContact OG1-NE2 3.11Å; K21-H37 WeakPolarHBondContact CA-NE2 3.2Å; K21-H37 PolarHBondContact N-NE2 3.17Å; K21-H37 VanDerWaalsContact N-NE2 3.18Å; K24-H37 HydrophobicContact CD-CB 3.66Å; K24-H37 HydrophobicContact CG-CB 4.19Å; H37-T39 PolarHBondContact ND1-N 2.93Å; H37-T39 VanDerWaalsContact ND1-N 3.19Å; H37-T39 PolarHBondContact O-N 2.69Å; H37-E40 WeakPolarHBondContact O-CB 3.47Å; H37-E40 PolarHBondContact O-N 3.32Å; H37-T85 WeakPolarHBondContact CA-O 3.18Å; H37-T85 PolarHBondContact CD2-OG1 3.45Å; H37-T85 VanDerWaalsContact CD2-OG1 3.28Å; H37-D86 IonicContact CE1-OD2 2.74Å; H37-D86 PolarHBondContact CE1-OD2 3.24Å; H37-D86 IonicContact ND1-OD2 2.72Å; H37-D86 PolarHBondContact ND1-OD2 2.97Å; H37-D86 IonicContact NE2-OD2 3.56Å; H37-D86 PolarHBondContact NE2-OD2 2.89Å
38M98.1Very high96.8Very high13 Ų1345.8 Ų45.86%0.06422%0.221CC..Hα-helixtrans-49-29.3170.2-173.354.778.800114.1E40 I41 I42 D86 V87 F148 L151M38-E40 VanDerWaalsContact C-N 3.3Å; M38-E40 PolarHBondContact O-N 2.89Å; M38-I41 HydrophobicContact CE-CD1 4.44Å; M38-I41 WeakPolarHBondContact O-CB 3.35Å; M38-I41 PolarHBondContact O-N 3.19Å; M38-I41 HydrophobicContact SD-CB 4.15Å; M38-I41 HydrophobicContact SD-CD1 3.96Å; M38-I41 HydrophobicContact SD-CG2 4.44Å; M38-I42 HydrophobicContact CG-CD1 3.92Å; M38-I42 HydrophobicContact CG-CG1 4.37Å; M38-I42 WeakPolarHBondContact O-CG1 3.22Å; M38-I42 PolarHBondContact O-N 2.83Å; M38-D86 VanDerWaalsContact CB-OD2 3.27Å; M38-D86 WeakPolarHBondContact CB-OD2 3.22Å; M38-V87 WeakPolarHBondContact CB-O 3.43Å; M38-V87 HydrophobicContact CE-CB 4.4Å; M38-V87 HydrophobicContact CE-CG2 3.74Å; M38-F148 HydrophobicContact CG-CE2 4.38Å; M38-F148 HydrophobicContact CG-CZ 4.48Å; M38-F148 HydrophobicContact SD-CE2 3.58Å; M38-F148 VanDerWaalsContact SD-CE2 3.58Å; M38-F148 HydrophobicContact SD-CZ 4.18Å; M38-L151 HydrophobicContact CE-CD2 4.3Å
39T96.5Very high96.9Very high6 Ų644.3 Ų44.34%0.03721%0.214CC..Hα-helixtrans-68-29.5176.456.60000112.7K21 H37 I41 I42 I43 W251K21-T39 HydrophobicContact CD-CG2 4.09Å; H37-T39 PolarHBondContact ND1-N 2.93Å; H37-T39 VanDerWaalsContact ND1-N 3.19Å; H37-T39 PolarHBondContact O-N 2.69Å; T39-I41 VanDerWaalsContact C-N 3.34Å; T39-I42 PolarHBondContact O-N 2.79Å; T39-I43 WeakPolarHBondContact O-CB 3.44Å; T39-I43 WeakPolarHBondContact O-CG1 3.17Å; T39-I43 PolarHBondContact O-N 3.4Å; T39-W251 HydrophobicContact CG2-CZ2 4.32Å
40E97.1Very high96.9Very high4 Ų447.1 Ų47.12%0.01923%0.229CC..Hα-helixtrans-65.7-39.8173.6-62.3-62137.900110.6K24 H37 M38 K44 Q45 Y81K24-E40 WeakPolarHBondContact CE-OE1 3.46Å; K24-E40 IonicContact NZ-OE1 3.9Å; K24-E40 PolarHBondContact NZ-OE1 2.91Å; H37-E40 WeakPolarHBondContact O-CB 3.47Å; H37-E40 PolarHBondContact O-N 3.32Å; M38-E40 VanDerWaalsContact C-N 3.3Å; M38-E40 PolarHBondContact O-N 2.89Å; E40-K44 VanDerWaalsContact CD-NZ 3.32Å; E40-K44 CarbonylContact O-C 3.57Å; E40-K44 WeakPolarHBondContact O-CA 3.48Å; E40-K44 PolarHBondContact O-N 3.08Å; E40-K44 IonicContact OE1-NZ 2.68Å; E40-K44 PolarHBondContact OE1-NZ 2.65Å; E40-K44 VanDerWaalsContact OE2-CD 3.27Å; E40-K44 WeakPolarHBondContact OE2-CD 3.36Å; E40-K44 WeakPolarHBondContact OE2-CE 3.42Å; E40-K44 IonicContact OE2-NZ 2.73Å; E40-K44 PolarHBondContact OE2-NZ 3.01Å; E40-Q45 PolarHBondContact O-N 3.24Å; E40-Y81 HydrophobicContact CG-CE1 4.16Å
41I98.1Very high96.9Very high0 Ų049.1 Ų49.10%024%0.237CC..Hα-helixtrans-62.5-51.9173.5-61.4175.4000110.1Y36 M38 T39 I43 Q45 Q46 I49 P88 L151Y36-I41 HydrophobicContact CE1-CD1 4Å; Y36-I41 HydrophobicContact CE1-CG1 3.94Å; Y36-I41 VanDerWaalsContact OH-CG1 3.25Å; Y36-I41 WeakPolarHBondContact OH-CG1 3.44Å; M38-I41 HydrophobicContact CE-CD1 4.44Å; M38-I41 WeakPolarHBondContact O-CB 3.35Å; M38-I41 PolarHBondContact O-N 3.19Å; M38-I41 HydrophobicContact SD-CB 4.15Å; M38-I41 HydrophobicContact SD-CD1 3.96Å; M38-I41 HydrophobicContact SD-CG2 4.44Å; T39-I41 VanDerWaalsContact C-N 3.34Å; I41-I43 VanDerWaalsContact C-N 3.34Å; I41-I43 PolarHBondContact O-N 3.48Å; I41-Q45 CarbonylContact O-C 3.53Å; I41-Q45 VanDerWaalsContact O-C 3.31Å; I41-Q46 WeakPolarHBondContact O-CA 3.48Å; I41-Q46 VanDerWaalsContact O-CG 3.22Å; I41-Q46 WeakPolarHBondContact O-CG 3.49Å; I41-Q46 PolarHBondContact O-N 2.84Å; I41-Q46 VanDerWaalsContact O-N 3.08Å; I41-I49 HydrophobicContact CG2-CD1 4.22Å; I41-I49 HydrophobicContact CG2-CG1 3.55Å; I41-P88 VanDerWaalsContact CD1-CD 3.49Å; I41-P88 HydrophobicContact CD1-CG 3.86Å; I41-L151 HydrophobicContact CD1-CD2 4.23Å
42I96.7Very high97Very high21 Ų2146.7 Ų46.711%0.10823%0.228CC..Hα-helixtrans-60.3-43.3-175.7-68.8166.5000111.8M38 T39 Q46 L142 L144 F148 W251M38-I42 HydrophobicContact CG-CD1 3.92Å; M38-I42 HydrophobicContact CG-CG1 4.37Å; M38-I42 WeakPolarHBondContact O-CG1 3.22Å; M38-I42 PolarHBondContact O-N 2.83Å; T39-I42 PolarHBondContact O-N 2.79Å; I42-Q46 PolarHBondContact O-NE2 3Å; I42-L142 HydrophobicContact CG2-CD1 3.93Å; I42-L144 HydrophobicContact CG1-CD1 4.09Å; I42-L144 HydrophobicContact CG2-CD1 4.1Å; I42-F148 HydrophobicContact CD1-CE2 4.14Å; I42-F148 HydrophobicContact CD1-CZ 3.91Å; I42-F148 HydrophobicContact CG1-CE2 3.69Å; I42-F148 HydrophobicContact CG1-CZ 3.94Å; I42-W251 HydrophobicContact CG2-CH2 4.38Å
43I93.9Very high97.1Very high46 Ų4639.9 Ų39.924%0.23620%0.196CC..Hα-helixtrans-99.3-35.5-166.5-58.2171.9000112.5T39 I41 W251 I252T39-I43 WeakPolarHBondContact O-CB 3.44Å; T39-I43 WeakPolarHBondContact O-CG1 3.17Å; T39-I43 PolarHBondContact O-N 3.4Å; I41-I43 VanDerWaalsContact C-N 3.34Å; I41-I43 PolarHBondContact O-N 3.48Å; I43-W251 HydrophobicContact CD1-CE3 4.23Å; I43-W251 HydrophobicContact CD1-CH2 4.26Å; I43-W251 HydrophobicContact CD1-CZ3 3.86Å; I43-W251 HydrophobicContact CG1-CZ3 4.39Å; I43-I252 HydrophobicContact CD1-CB 4.23Å; I43-I252 HydrophobicContact CD1-CG1 3.96Å; I43-I252 HydrophobicContact CD1-CG2 4.02Å; I43-I252 HydrophobicContact CG2-CG2 4.15Å
44K94.1Very high97.2Very high114 Ų11441.8 Ų41.850%0.49621%0.205SC..THydrogen-bonded Turntrans-121.7-35.4-167.3-55.6-172.8-158.8143.90113.6E40E40-K44 VanDerWaalsContact CD-NZ 3.32Å; E40-K44 CarbonylContact O-C 3.57Å; E40-K44 WeakPolarHBondContact O-CA 3.48Å; E40-K44 PolarHBondContact O-N 3.08Å; E40-K44 IonicContact OE1-NZ 2.68Å; E40-K44 PolarHBondContact OE1-NZ 2.65Å; E40-K44 VanDerWaalsContact OE2-CD 3.27Å; E40-K44 WeakPolarHBondContact OE2-CD 3.36Å; E40-K44 WeakPolarHBondContact OE2-CE 3.42Å; E40-K44 IonicContact OE2-NZ 2.73Å; E40-K44 PolarHBondContact OE2-NZ 3.01Å
45Q95.8Very high97.2Very high78 Ų7839.9 Ų39.936%0.36419%0.192SC..  trans-128.948.8-166.4-57.4-67.99.800112.3E40 I41 N47 D48E40-Q45 PolarHBondContact O-N 3.24Å; I41-Q45 CarbonylContact O-C 3.53Å; I41-Q45 VanDerWaalsContact O-C 3.31Å; Q45-N47 PolarHBondContact O-N 3.05Å; Q45-N47 VanDerWaalsContact O-N 3.08Å; Q45-D48 HydrophobicContact CB-CB 4.36Å; Q45-D48 WeakPolarHBondContact CB-OD2 3.3Å; Q45-D48 VanDerWaalsContact O-CB 3.31Å; Q45-D48 WeakPolarHBondContact O-CB 3.38Å; Q45-D48 PolarHBondContact O-N 2.56Å
46Q96.8Very high97Very high72 Ų7240 Ų4034%0.33619%0.192SC..THydrogen-bonded Turntrans-59.5-24.9179.4-69.3-171.910.300112.9I41 I42 D48 I49 L142 L144I41-Q46 WeakPolarHBondContact O-CA 3.48Å; I41-Q46 VanDerWaalsContact O-CG 3.22Å; I41-Q46 WeakPolarHBondContact O-CG 3.49Å; I41-Q46 PolarHBondContact O-N 2.84Å; I41-Q46 VanDerWaalsContact O-N 3.08Å; I42-Q46 PolarHBondContact O-NE2 3Å; Q46-D48 PolarHBondContact O-N 3Å; Q46-I49 HydrophobicContact CB-CD1 4.41Å; Q46-I49 WeakPolarHBondContact O-CB 3.43Å; Q46-I49 WeakPolarHBondContact O-CD1 3.18Å; Q46-I49 WeakPolarHBondContact O-CG1 3.49Å; Q46-I49 PolarHBondContact O-N 3.28Å; Q46-I49 VanDerWaalsContact O-N 3.1Å; Q46-L142 PolarHBondContact NE2-O 3.43Å; Q46-L144 HydrophobicContact CG-CD2 4.48Å
47N96.6Very high96.8Very high136 Ų13643.3 Ų43.373%0.72721%0.21SC*.THydrogen-bonded Turntrans-64.6-16.7173.3-64.6-28.8000113.6Q45 I49Q45-N47 PolarHBondContact O-N 3.05Å; Q45-N47 VanDerWaalsContact O-N 3.08Å; N47-I49 PolarHBondContact O-N 3.26Å
48D98.1Very high96.6Very high7 Ų745.1 Ų45.14%0.03722%0.218CC..Hα-helixtrans-74.8-14.3174.5-72.6-10.8000112.3Y36 Q45 Q46 D50 K51 W52Y36-D48 PolarHBondContact OH-OD2 3.45Å; Q45-D48 HydrophobicContact CB-CB 4.36Å; Q45-D48 WeakPolarHBondContact CB-OD2 3.3Å; Q45-D48 VanDerWaalsContact O-CB 3.31Å; Q45-D48 WeakPolarHBondContact O-CB 3.38Å; Q45-D48 PolarHBondContact O-N 2.56Å; Q46-D48 PolarHBondContact O-N 3Å; D48-D50 VanDerWaalsContact C-N 3.34Å; D48-D50 PolarHBondContact O-N 2.77Å; D48-K51 PolarHBondContact O-N 3.39Å; D48-K51 VanDerWaalsContact O-N 3.11Å; D48-K51 IonicContact OD1-NZ 3.61Å; D48-W52 PolarHBondContact O-N 3.09Å
49I98.6Very high96.3Very high13 Ų1346 Ų467%0.06723%0.227CC..Hα-helixtrans-54.4-51.6177.1-67.1170.8000110.2I41 Q46 N47 K51 W52 Q53 D147 F148 L151I41-I49 HydrophobicContact CG2-CD1 4.22Å; I41-I49 HydrophobicContact CG2-CG1 3.55Å; Q46-I49 HydrophobicContact CB-CD1 4.41Å; Q46-I49 WeakPolarHBondContact O-CB 3.43Å; Q46-I49 WeakPolarHBondContact O-CD1 3.18Å; Q46-I49 WeakPolarHBondContact O-CG1 3.49Å; Q46-I49 PolarHBondContact O-N 3.28Å; Q46-I49 VanDerWaalsContact O-N 3.1Å; N47-I49 PolarHBondContact O-N 3.26Å; I49-K51 VanDerWaalsContact C-N 3.3Å; I49-K51 PolarHBondContact O-N 3.43Å; I49-W52 PolarHBondContact O-N 2.84Å; I49-Q53 WeakPolarHBondContact O-CB 3.47Å; I49-Q53 PolarHBondContact O-N 2.62Å; I49-D147 HydrophobicContact CG2-CB 4.13Å; I49-F148 HydrophobicContact CD1-CB 4.22Å; I49-F148 HydrophobicContact CD1-CD2 4.24Å; I49-L151 HydrophobicContact CB-CD2 4.34Å; I49-L151 HydrophobicContact CG1-CD2 4.03Å; I49-L151 HydrophobicContact CG2-CB 4.29Å; I49-L151 HydrophobicContact CG2-CD2 4.25Å
50D98.1Very high95.8Very high97 Ų9750.8 Ų50.852%0.51925%0.252SS..Hα-helixtrans-66-32.7178.9-74.1-12.4000112.6D48 K54D48-D50 VanDerWaalsContact C-N 3.34Å; D48-D50 PolarHBondContact O-N 2.77Å; D50-K54 VanDerWaalsContact O-CG 3.27Å; D50-K54 WeakPolarHBondContact O-CG 3.37Å; D50-K54 PolarHBondContact O-N 3.35Å; D50-K54 VanDerWaalsContact O-N 3.1Å
51K98.1Very high95.3Very high69 Ų6955.2 Ų55.230%0.327%0.271SS..Hα-helixtrans-69.2-46.9179.2-59.3-173.7-171.5-179.10110.7D48 I49 Q53 K54 L55 E76 I77D48-K51 PolarHBondContact O-N 3.39Å; D48-K51 VanDerWaalsContact O-N 3.11Å; D48-K51 IonicContact OD1-NZ 3.61Å; I49-K51 VanDerWaalsContact C-N 3.3Å; I49-K51 PolarHBondContact O-N 3.43Å; K51-Q53 VanDerWaalsContact C-N 3.35Å; K51-K54 PolarHBondContact O-N 2.88Å; K51-L55 WeakPolarHBondContact O-CG 3.42Å; K51-L55 PolarHBondContact O-N 3.27Å; K51-L55 VanDerWaalsContact O-N 3.13Å; K51-E76 WeakPolarHBondContact CE-OE1 3.4Å; K51-E76 IonicContact NZ-OE1 2.74Å; K51-E76 PolarHBondContact NZ-OE1 3.45Å; K51-I77 HydrophobicContact CB-CD1 3.77Å; K51-I77 HydrophobicContact CB-CG1 4.09Å; K51-I77 HydrophobicContact CD-CG1 4.1Å
52W98.5Very high94Very high0 Ų064.6 Ų64.60%032%0.318CS..Hα-helixtrans-62.8-41.9175.5-79.7113.2000112.1Y36 D48 I49 K54 L55 F56 L74 I77 L78 P88 A89 F92 L151Y36-W52 HydrophobicContact CE1-CZ2 4.04Å; Y36-W52 AromaticContact CE1-NE1 3.74Å; Y36-W52 AromaticContact CZ-NE1 3.6Å; Y36-W52 PolarHBondContact OH-NE1 2.66Å; D48-W52 PolarHBondContact O-N 3.09Å; I49-W52 PolarHBondContact O-N 2.84Å; W52-K54 VanDerWaalsContact C-N 3.31Å; W52-K54 PolarHBondContact O-N 3.15Å; W52-L55 HydrophobicContact CE3-CD1 3.94Å; W52-L55 HydrophobicContact CZ3-CD1 4.12Å; W52-L55 WeakPolarHBondContact O-CB 3.46Å; W52-L55 PolarHBondContact O-N 3.49Å; W52-L55 VanDerWaalsContact O-N 3.08Å; W52-F56 HydrophobicContact CB-CE2 4.38Å; W52-F56 WeakPolarHBondContact O-CD2 3.48Å; W52-F56 PolarHBondContact O-N 2.87Å; W52-F56 VanDerWaalsContact O-N 3.08Å; W52-L74 HydrophobicContact CH2-CD2 3.67Å; W52-L74 HydrophobicContact CZ3-CD2 3.59Å; W52-I77 HydrophobicContact CD2-CD1 3.82Å; W52-I77 HydrophobicContact CE3-CD1 4.33Å; W52-I77 HydrophobicContact CG-CD1 4.05Å; W52-I77 HydrophobicContact CZ2-CB 4.46Å; W52-I77 HydrophobicContact CZ2-CD1 4.26Å; W52-I77 HydrophobicContact CZ2-CG2 3.63Å; W52-L78 HydrophobicContact CZ2-CD2 4.48Å; W52-P88 HydrophobicContact CB-CG 4.2Å; W52-P88 HydrophobicContact CD2-CB 3.86Å; W52-P88 HydrophobicContact CD2-CG 3.22Å; W52-P88 HydrophobicContact CE3-CB 3.87Å; W52-P88 HydrophobicContact CE3-CG 3.72Å; W52-P88 HydrophobicContact CG-CB 4.15Å; W52-P88 HydrophobicContact CG-CG 3.45Å; W52-P88 VanDerWaalsContact CG-CG 3.45Å; W52-P88 HydrophobicContact CH2-CG 4.33Å; W52-P88 HydrophobicContact CZ2-CG 3.89Å; W52-P88 HydrophobicContact CZ3-CB 4.39Å; W52-P88 HydrophobicContact CZ3-CG 4.24Å; W52-A89 HydrophobicContact CH2-CB 3.63Å; W52-A89 HydrophobicContact CZ2-CB 4.05Å; W52-A89 HydrophobicContact CZ3-CB 4.47Å; W52-F92 HydrophobicContact CE3-CD2 4.42Å; W52-F92 HydrophobicContact CE3-CE2 4.2Å; W52-F92 AromaticContact CZ3-CD2 3.72Å; W52-F92 HydrophobicContact CZ3-CD2 3.72Å; W52-F92 AromaticContact CZ3-CE2 3.91Å; W52-F92 HydrophobicContact CZ3-CE2 3.91Å; W52-L151 HydrophobicContact CB-CD1 3.41Å; W52-L151 VanDerWaalsContact CB-CD1 3.41Å; W52-L151 HydrophobicContact CG-CD1 4.35Å
53Q97.8Very high93Very high19 Ų1969.5 Ų69.59%0.08934%0.34CS..Hα-helixtrans-59.2-44177.1-17162.453.700111.6I49 K51 L55 F56 D57 D154I49-Q53 WeakPolarHBondContact O-CB 3.47Å; I49-Q53 PolarHBondContact O-N 2.62Å; K51-Q53 VanDerWaalsContact C-N 3.35Å; Q53-L55 VanDerWaalsContact C-N 3.3Å; Q53-L55 PolarHBondContact O-N 3.4Å; Q53-F56 PolarHBondContact O-N 3.31Å; Q53-D57 PolarHBondContact NE2-OD1 3.32Å; Q53-D57 VanDerWaalsContact O-CG 3.26Å; Q53-D57 PolarHBondContact O-N 3.05Å; Q53-D154 PolarHBondContact NE2-OD2 2.89Å
54K96.6Very high91.7Very high132 Ų13272.8 Ų72.857%0.57437%0.367SS*.Hα-helixtrans-58.9-40.4174.3-72.4167.7-172.7171.70112.1D50 K51 W52 F56 D57 E58D50-K54 VanDerWaalsContact O-CG 3.27Å; D50-K54 WeakPolarHBondContact O-CG 3.37Å; D50-K54 PolarHBondContact O-N 3.35Å; D50-K54 VanDerWaalsContact O-N 3.1Å; K51-K54 PolarHBondContact O-N 2.88Å; W52-K54 VanDerWaalsContact C-N 3.31Å; W52-K54 PolarHBondContact O-N 3.15Å; K54-F56 VanDerWaalsContact C-N 3.33Å; K54-F56 PolarHBondContact O-N 3.29Å; K54-D57 PolarHBondContact O-N 3.03Å; K54-E58 WeakPolarHBondContact O-CG 3.41Å; K54-E58 PolarHBondContact O-N 2.72Å
55L96.9Very high90.6Very high7 Ų771.3 Ų71.34%0.03737%0.368CS..Hα-helixtrans-63.8-38.5177.8-66.2174.1000112.4K51 W52 Q53 E58 A59 L74 I77 F92K51-L55 WeakPolarHBondContact O-CG 3.42Å; K51-L55 PolarHBondContact O-N 3.27Å; K51-L55 VanDerWaalsContact O-N 3.13Å; W52-L55 HydrophobicContact CE3-CD1 3.94Å; W52-L55 HydrophobicContact CZ3-CD1 4.12Å; W52-L55 WeakPolarHBondContact O-CB 3.46Å; W52-L55 PolarHBondContact O-N 3.49Å; W52-L55 VanDerWaalsContact O-N 3.08Å; Q53-L55 VanDerWaalsContact C-N 3.3Å; Q53-L55 PolarHBondContact O-N 3.4Å; L55-E58 PolarHBondContact O-N 3.02Å; L55-A59 VanDerWaalsContact O-CB 3.26Å; L55-A59 WeakPolarHBondContact O-CB 3.48Å; L55-A59 PolarHBondContact O-N 2.7Å; L55-L74 HydrophobicContact CD1-CD2 4.06Å; L55-L74 HydrophobicContact CD1-CG 4.29Å; L55-I77 HydrophobicContact CD1-CD1 3.55Å; L55-F92 HydrophobicContact CB-CE2 4.41Å; L55-F92 HydrophobicContact CB-CZ 4.06Å
56F94.7Very high89.9Confident3 Ų367.9 Ų67.91%0.01335%0.352CS..Hα-helixtrans-64.8-44.4173.1-64.3-51.7000111.8W52 Q53 K54 E58 A59 L60 P88 F92 L151 S155 F158W52-F56 HydrophobicContact CB-CE2 4.38Å; W52-F56 WeakPolarHBondContact O-CD2 3.48Å; W52-F56 PolarHBondContact O-N 2.87Å; W52-F56 VanDerWaalsContact O-N 3.08Å; Q53-F56 PolarHBondContact O-N 3.31Å; K54-F56 VanDerWaalsContact C-N 3.33Å; K54-F56 PolarHBondContact O-N 3.29Å; F56-E58 VanDerWaalsContact C-N 3.3Å; F56-E58 PolarHBondContact O-N 3.35Å; F56-A59 PolarHBondContact O-N 3.12Å; F56-L60 VanDerWaalsContact O-CG 3.3Å; F56-L60 WeakPolarHBondContact O-CG 3.41Å; F56-L60 PolarHBondContact O-N 3.42Å; F56-P88 HydrophobicContact CE2-CB 3.92Å; F56-P88 HydrophobicContact CZ-CB 3.58Å; F56-F92 AromaticContact CD1-CE2 3.74Å; F56-F92 HydrophobicContact CD1-CE2 3.74Å; F56-F92 AromaticContact CD1-CZ 3.95Å; F56-F92 HydrophobicContact CD1-CZ 3.95Å; F56-F92 HydrophobicContact CE1-CD2 4.15Å; F56-F92 AromaticContact CE1-CE2 3.33Å; F56-F92 HydrophobicContact CE1-CE2 3.33Å; F56-F92 HydrophobicContact CE1-CZ 4.01Å; F56-F92 HydrophobicContact CZ-CE2 4.07Å; F56-L151 HydrophobicContact CD2-CD1 4.29Å; F56-L151 HydrophobicContact CE2-CD1 3.72Å; F56-S155 VanDerWaalsContact CZ-CA 3.44Å; F56-F158 HydrophobicContact CD1-CB 3.67Å; F56-F158 AromaticContact CD1-CD1 3.91Å; F56-F158 HydrophobicContact CD1-CD1 3.91Å; F56-F158 HydrophobicContact CD1-CD2 4.02Å; F56-F158 AromaticContact CD1-CG 3.58Å; F56-F158 HydrophobicContact CD1-CG 3.58Å; F56-F158 HydrophobicContact CE1-CB 3.69Å; F56-F158 AromaticContact CE1-CD1 3.55Å; F56-F158 HydrophobicContact CE1-CD1 3.55Å; F56-F158 HydrophobicContact CE1-CD2 4.48Å; F56-F158 HydrophobicContact CE1-CE1 4.32Å; F56-F158 AromaticContact CE1-CG 3.64Å; F56-F158 HydrophobicContact CE1-CG 3.64Å
57D93.1Very high89.5Confident69 Ų6969.6 Ų69.637%0.36936%0.36SS..Hα-helixtrans-61.7-38.2178-62.5-16.3000111.7Q53 K54 K61Q53-D57 PolarHBondContact NE2-OD1 3.32Å; Q53-D57 VanDerWaalsContact O-CG 3.26Å; Q53-D57 PolarHBondContact O-N 3.05Å; K54-D57 PolarHBondContact O-N 3.03Å; D57-K61 WeakPolarHBondContact O-CE 3.48Å; D57-K61 WeakPolarHBondContact O-CG 3.25Å
58E94.2Very high89.3Confident42 Ų4268.7 Ų68.720%0.19635%0.354CS..Hα-helixtrans-71-39.1173.9-66.1-51.7145.200112.6K54 L55 F56 L60 K61 N66 I69 I70K54-E58 WeakPolarHBondContact O-CG 3.41Å; K54-E58 PolarHBondContact O-N 2.72Å; L55-E58 PolarHBondContact O-N 3.02Å; F56-E58 VanDerWaalsContact C-N 3.3Å; F56-E58 PolarHBondContact O-N 3.35Å; E58-L60 VanDerWaalsContact C-N 3.25Å; E58-L60 PolarHBondContact O-N 3.44Å; E58-K61 WeakPolarHBondContact O-CB 3.4Å; E58-K61 PolarHBondContact O-N 2.97Å; E58-K61 VanDerWaalsContact O-N 3.1Å; E58-K61 IonicContact OE1-NZ 3.61Å; E58-K61 PolarHBondContact OE1-NZ 3.23Å; E58-K61 WeakPolarHBondContact OE2-CD 3.25Å; E58-K61 WeakPolarHBondContact OE2-CE 3.5Å; E58-K61 IonicContact OE2-NZ 2.8Å; E58-K61 PolarHBondContact OE2-NZ 3.4Å; E58-N66 PolarHBondContact O-ND2 2.8Å; E58-I69 HydrophobicContact CG-CG2 4.03Å; E58-I70 HydrophobicContact CB-CG1 4.29Å
59A91.2Very high89.1Confident30 Ų3072.3 Ų72.325%0.24837%0.373CS..Hα-helixtrans-67.7-26179.800000113.1L55 F56 K61 I70 F92 F158L55-A59 VanDerWaalsContact O-CB 3.26Å; L55-A59 WeakPolarHBondContact O-CB 3.48Å; L55-A59 PolarHBondContact O-N 2.7Å; F56-A59 PolarHBondContact O-N 3.12Å; A59-K61 VanDerWaalsContact C-N 3.3Å; A59-I70 HydrophobicContact CB-CD1 3.87Å; A59-F92 HydrophobicContact CB-CE1 4.18Å; A59-F92 HydrophobicContact CB-CZ 4.28Å; A59-F158 HydrophobicContact CB-CD2 4.34Å; A59-F158 HydrophobicContact CB-CE2 3.54Å; A59-F158 HydrophobicContact CB-CZ 4.1Å
60L86.2Confident88.9Confident108 Ų10872.4 Ų72.457%0.56537%0.373SS*.THydrogen-bonded Turntrans-77.2-15.3173.8-68.7171.9000113.2F56 E58F56-L60 VanDerWaalsContact O-CG 3.3Å; F56-L60 WeakPolarHBondContact O-CG 3.41Å; F56-L60 PolarHBondContact O-N 3.42Å; E58-L60 VanDerWaalsContact C-N 3.25Å; E58-L60 PolarHBondContact O-N 3.44Å
61K86.5Confident88.7Confident96 Ų9669.6 Ų69.642%0.41736%0.357SS..SBendtrans-82.2129.7175.4-65.7172.8-155.5170.60109.4D57 E58 A59 E63 N66D57-K61 WeakPolarHBondContact O-CE 3.48Å; D57-K61 WeakPolarHBondContact O-CG 3.25Å; E58-K61 WeakPolarHBondContact O-CB 3.4Å; E58-K61 PolarHBondContact O-N 2.97Å; E58-K61 VanDerWaalsContact O-N 3.1Å; E58-K61 IonicContact OE1-NZ 3.61Å; E58-K61 PolarHBondContact OE1-NZ 3.23Å; E58-K61 WeakPolarHBondContact OE2-CD 3.25Å; E58-K61 WeakPolarHBondContact OE2-CE 3.5Å; E58-K61 IonicContact OE2-NZ 2.8Å; E58-K61 PolarHBondContact OE2-NZ 3.4Å; A59-K61 VanDerWaalsContact C-N 3.3Å; K61-E63 PolarHBondContact O-N 3.23Å; K61-N66 WeakPolarHBondContact CB-ND2 3.06Å; K61-N66 PolarHBondContact O-ND2 3.12Å
62M71.4Confident88.6Confident198 Ų19871 Ų7198%0.97537%0.368SS*.  trans-84.153.3-178.6-57.2-174.892.500112.6
63E74.9Confident88.5Confident124 Ų12471.7 Ų71.758%0.57938%0.375SS*.  trans-121.7138.7-179.9-56.8-176.117800112.3K61 T65 N66K61-E63 PolarHBondContact O-N 3.23Å; E63-T65 PolarHBondContact O-N 3.11Å; E63-N66 PolarHBondContact N-ND2 3.21Å; E63-N66 VanDerWaalsContact O-CB 3.28Å; E63-N66 WeakPolarHBondContact O-CB 3.3Å; E63-N66 VanDerWaalsContact O-CG 3.27Å; E63-N66 PolarHBondContact O-N 2.8Å; E63-N66 VanDerWaalsContact O-N 3.14Å; E63-N66 PolarHBondContact O-ND2 3.35Å
64S68.2Low88.5Confident114 Ų11470.8 Ų70.880%0.79737%0.371SS*.THydrogen-bonded Turntrans-64-27.5-179.952.70000113.8N66S64-N66 PolarHBondContact O-N 3.48Å
65T70.1Confident88.5Confident83 Ų8368.6 Ų68.651%0.50936%0.361SS..THydrogen-bonded Turntrans-65.7-19.8176.736.40000112.8E63 E67E63-T65 PolarHBondContact O-N 3.11Å; T65-E67 VanDerWaalsContact C-N 3.27Å; T65-E67 PolarHBondContact O-N 3.18Å
66N82.4Confident88.5Confident6 Ų673.8 Ų73.83%0.03239%0.385CS..Hα-helixtrans-72.1-24.9-175.5-57.3-13.3000111.8E58 K61 E63 S64 L68 I69 I70E58-N66 PolarHBondContact O-ND2 2.8Å; K61-N66 WeakPolarHBondContact CB-ND2 3.06Å; K61-N66 PolarHBondContact O-ND2 3.12Å; E63-N66 PolarHBondContact N-ND2 3.21Å; E63-N66 VanDerWaalsContact O-CB 3.28Å; E63-N66 WeakPolarHBondContact O-CB 3.3Å; E63-N66 VanDerWaalsContact O-CG 3.27Å; E63-N66 PolarHBondContact O-N 2.8Å; E63-N66 VanDerWaalsContact O-N 3.14Å; E63-N66 PolarHBondContact O-ND2 3.35Å; S64-N66 PolarHBondContact O-N 3.48Å; N66-L68 PolarHBondContact O-N 2.71Å; N66-I69 PolarHBondContact O-N 3.28Å; N66-I70 HydrophobicContact CB-CD1 4.26Å; N66-I70 WeakPolarHBondContact O-CB 3.31Å; N66-I70 WeakPolarHBondContact O-CD1 3.42Å; N66-I70 WeakPolarHBondContact O-CG1 3.41Å; N66-I70 PolarHBondContact O-N 2.89Å
67E87.6Confident88.7Confident109 Ų10974 Ų7451%0.50939%0.387SS..Hα-helixtrans-61.7-45.5-179-165.4-177.6172.200111.4T65 I69 I70 Q71T65-E67 VanDerWaalsContact C-N 3.27Å; T65-E67 PolarHBondContact O-N 3.18Å; E67-I69 PolarHBondContact O-N 3.06Å; E67-I70 PolarHBondContact O-N 3.28Å; E67-Q71 WeakPolarHBondContact O-CB 3.08Å; E67-Q71 WeakPolarHBondContact O-CG 3.17Å; E67-Q71 PolarHBondContact O-N 2.87Å; E67-Q71 PolarHBondContact OE1-NE2 3.34Å; E67-Q71 VanDerWaalsContact OE1-NE2 3.16Å
68L91.3Very high88.9Confident116 Ų11670.8 Ų70.861%0.60737%0.369SS*.Hα-helixtrans-64.8-40.6177.1-72.4171.4000111.9N66 Q71 D72N66-L68 PolarHBondContact O-N 2.71Å; L68-Q71 PolarHBondContact O-N 3.41Å; L68-D72 WeakPolarHBondContact O-CB 3.46Å; L68-D72 PolarHBondContact O-N 3.41Å
69I93.9Very high89Confident83 Ų8372.2 Ų72.243%0.42638%0.378SS..Hα-helixtrans-63.3-44.5178.2-62.2171.7000110.5E58 N66 E67 G73E58-I69 HydrophobicContact CG-CG2 4.03Å; N66-I69 PolarHBondContact O-N 3.28Å; E67-I69 PolarHBondContact O-N 3.06Å; I69-G73 PolarHBondContact O-N 3.16Å
70I95Very high89.1Confident15 Ų1575.4 Ų75.48%0.07739%0.391CS..Hα-helixtrans-64.1-45.7177-68.1162.4000110E58 A59 N66 E67 D72 G73 L74 F92 E95E58-I70 HydrophobicContact CB-CG1 4.29Å; A59-I70 HydrophobicContact CB-CD1 3.87Å; N66-I70 HydrophobicContact CB-CD1 4.26Å; N66-I70 WeakPolarHBondContact O-CB 3.31Å; N66-I70 WeakPolarHBondContact O-CD1 3.42Å; N66-I70 WeakPolarHBondContact O-CG1 3.41Å; N66-I70 PolarHBondContact O-N 2.89Å; E67-I70 PolarHBondContact O-N 3.28Å; I70-D72 PolarHBondContact O-N 2.96Å; I70-G73 PolarHBondContact O-N 2.84Å; I70-L74 HydrophobicContact CG2-CD1 3.76Å; I70-L74 HydrophobicContact CG2-CG 4.26Å; I70-L74 WeakPolarHBondContact O-CB 3.39Å; I70-L74 VanDerWaalsContact O-CG 3.23Å; I70-L74 WeakPolarHBondContact O-CG 3.28Å; I70-L74 PolarHBondContact O-N 3.05Å; I70-F92 HydrophobicContact CG2-CD1 4.14Å; I70-F92 HydrophobicContact CG2-CE1 3.79Å; I70-E95 HydrophobicContact CG2-CG 4.34Å
71Q95.1Very high89.6Confident39 Ų3971.2 Ų71.218%0.18237%0.368CS..Hα-helixtrans-61.1-46178.7-72.8-17727.300112.2E67 L68 L74 K75 I99E67-Q71 WeakPolarHBondContact O-CB 3.08Å; E67-Q71 WeakPolarHBondContact O-CG 3.17Å; E67-Q71 PolarHBondContact O-N 2.87Å; E67-Q71 PolarHBondContact OE1-NE2 3.34Å; E67-Q71 VanDerWaalsContact OE1-NE2 3.16Å; L68-Q71 PolarHBondContact O-N 3.41Å; Q71-L74 PolarHBondContact O-N 2.87Å; Q71-K75 WeakPolarHBondContact O-CG 3.42Å; Q71-K75 PolarHBondContact O-N 3.07Å; Q71-I99 HydrophobicContact CB-CD1 4.07Å; Q71-I99 HydrophobicContact CB-CG1 4.08Å; Q71-I99 HydrophobicContact CG-CD1 3.94Å; Q71-I99 HydrophobicContact CG-CG1 3.7Å
72D95.4Very high90.1Very high98 Ų9867.7 Ų67.752%0.52435%0.353SS..Hα-helixtrans-67.1-41.7179.6-73.5-16.2000111.4L68 I70 K75 E76L68-D72 WeakPolarHBondContact O-CB 3.46Å; L68-D72 PolarHBondContact O-N 3.41Å; I70-D72 PolarHBondContact O-N 2.96Å; D72-K75 PolarHBondContact O-N 2.63Å; D72-E76 WeakPolarHBondContact O-CB 3.43Å; D72-E76 PolarHBondContact O-N 2.92Å
73G97Very high91.4Very high14 Ų1458.3 Ų58.314%0.14431%0.307CS..Hα-helixtrans-64.8-40.817600000113.2I69 I70 E76 I77I69-G73 PolarHBondContact O-N 3.16Å; I70-G73 PolarHBondContact O-N 2.84Å; G73-E76 PolarHBondContact O-N 2.73Å; G73-I77 WeakPolarHBondContact O-CG1 3.18Å; G73-I77 PolarHBondContact O-N 3.18Å
74L97.5Very high92.5Very high0 Ų052.5 Ų52.50%028%0.28CS..Hα-helixtrans-62.7-44.2174.2-73.8171.9000111.4W52 L55 I70 Q71 E76 I77 L78 F92 E95 L96 I99W52-L74 HydrophobicContact CH2-CD2 3.67Å; W52-L74 HydrophobicContact CZ3-CD2 3.59Å; L55-L74 HydrophobicContact CD1-CD2 4.06Å; L55-L74 HydrophobicContact CD1-CG 4.29Å; I70-L74 HydrophobicContact CG2-CD1 3.76Å; I70-L74 HydrophobicContact CG2-CG 4.26Å; I70-L74 WeakPolarHBondContact O-CB 3.39Å; I70-L74 VanDerWaalsContact O-CG 3.23Å; I70-L74 WeakPolarHBondContact O-CG 3.28Å; I70-L74 PolarHBondContact O-N 3.05Å; Q71-L74 PolarHBondContact O-N 2.87Å; L74-E76 VanDerWaalsContact C-N 3.33Å; L74-E76 PolarHBondContact O-N 2.8Å; L74-I77 PolarHBondContact O-N 3.3Å; L74-L78 VanDerWaalsContact O-CB 3.27Å; L74-L78 WeakPolarHBondContact O-CB 3.26Å; L74-L78 WeakPolarHBondContact O-CG 3.4Å; L74-L78 PolarHBondContact O-N 3.14Å; L74-F92 HydrophobicContact CD1-CB 4.22Å; L74-F92 HydrophobicContact CD1-CD1 4.1Å; L74-F92 HydrophobicContact CD1-CG 4.28Å; L74-F92 HydrophobicContact CD2-CB 4.19Å; L74-F92 HydrophobicContact CD2-CD2 4.21Å; L74-F92 HydrophobicContact CD2-CG 4.08Å; L74-E95 HydrophobicContact CD1-CB 3.85Å; L74-L96 HydrophobicContact CB-CD2 4.38Å; L74-L96 HydrophobicContact CD1-CD2 4.25Å; L74-L96 HydrophobicContact CD2-CD2 4.39Å; L74-I99 HydrophobicContact CB-CD1 3.91Å; L74-I99 HydrophobicContact CD1-CD1 3.72Å; L74-I99 HydrophobicContact CG-CD1 4.48Å
75K96.9Very high94Very high87 Ų8747.1 Ų47.138%0.37824%0.242SC..Hα-helixtrans-62.9-38.7175.5-74172.8-175.3169.40112.3Q71 D72 N79 I99Q71-K75 WeakPolarHBondContact O-CG 3.42Å; Q71-K75 PolarHBondContact O-N 3.07Å; D72-K75 PolarHBondContact O-N 2.63Å; K75-N79 WeakPolarHBondContact O-CB 3.33Å; K75-N79 PolarHBondContact O-N 2.68Å; K75-N79 VanDerWaalsContact O-N 3.07Å; K75-I99 HydrophobicContact CD-CG2 4.25Å; K75-I99 HydrophobicContact CG-CG2 3.85Å
76E96.4Very high95.3Very high116 Ų11643.8 Ų43.854%0.54222%0.221SC..Hα-helixtrans-62.6-52.2177.7-171.6-160.8140.700111.2K51 D72 G73 L74 L78 N79K51-E76 WeakPolarHBondContact CE-OE1 3.4Å; K51-E76 IonicContact NZ-OE1 2.74Å; K51-E76 PolarHBondContact NZ-OE1 3.45Å; D72-E76 WeakPolarHBondContact O-CB 3.43Å; D72-E76 PolarHBondContact O-N 2.92Å; G73-E76 PolarHBondContact O-N 2.73Å; L74-E76 VanDerWaalsContact C-N 3.33Å; L74-E76 PolarHBondContact O-N 2.8Å; E76-L78 PolarHBondContact O-N 3.24Å; E76-N79 WeakPolarHBondContact O-CB 3.41Å; E76-N79 PolarHBondContact O-N 2.8Å
77I97.9Very high96.1Very high8 Ų843.7 Ų43.74%0.04122%0.221CC..Hα-helixtrans-64.7-41.3-177.6-66.4171.6000111.2Y36 K51 W52 L55 G73 L74 N79Y36-I77 HydrophobicContact CE2-CG2 3.7Å; Y36-I77 WeakPolarHBondContact OH-CG2 3.48Å; K51-I77 HydrophobicContact CB-CD1 3.77Å; K51-I77 HydrophobicContact CB-CG1 4.09Å; K51-I77 HydrophobicContact CD-CG1 4.1Å; W52-I77 HydrophobicContact CD2-CD1 3.82Å; W52-I77 HydrophobicContact CE3-CD1 4.33Å; W52-I77 HydrophobicContact CG-CD1 4.05Å; W52-I77 HydrophobicContact CZ2-CB 4.46Å; W52-I77 HydrophobicContact CZ2-CD1 4.26Å; W52-I77 HydrophobicContact CZ2-CG2 3.63Å; L55-I77 HydrophobicContact CD1-CD1 3.55Å; G73-I77 WeakPolarHBondContact O-CG1 3.18Å; G73-I77 PolarHBondContact O-N 3.18Å; L74-I77 PolarHBondContact O-N 3.3Å; I77-N79 VanDerWaalsContact C-N 3.3Å; I77-N79 PolarHBondContact O-N 3.43Å
78L97.7Very high96.6Very high1 Ų138.5 Ų38.51%0.00520%0.197CC..THydrogen-bonded Turntrans-91.47.5-173.6-59.5169.5000113L8 Y36 W52 L74 E76 N80 Y81 V84 L96L8-L78 HydrophobicContact CD1-CB 4.19Å; L8-L78 HydrophobicContact CD1-CD1 3.8Å; L8-L78 HydrophobicContact CD1-CG 4.48Å; Y36-L78 HydrophobicContact CD1-CD2 4.13Å; Y36-L78 HydrophobicContact CD2-CD2 3.71Å; Y36-L78 HydrophobicContact CE2-CD2 4.34Å; Y36-L78 HydrophobicContact CG-CD2 3.6Å; W52-L78 HydrophobicContact CZ2-CD2 4.48Å; L74-L78 VanDerWaalsContact O-CB 3.27Å; L74-L78 WeakPolarHBondContact O-CB 3.26Å; L74-L78 WeakPolarHBondContact O-CG 3.4Å; L74-L78 PolarHBondContact O-N 3.14Å; E76-L78 PolarHBondContact O-N 3.24Å; L78-N80 PolarHBondContact O-N 2.68Å; L78-Y81 PolarHBondContact O-N 2.88Å; L78-V84 HydrophobicContact CD2-CB 4.17Å; L78-V84 HydrophobicContact CD2-CG2 3.93Å; L78-L96 HydrophobicContact CD1-CD1 4.47Å; L78-L96 HydrophobicContact CD1-CD2 3.43Å; L78-L96 VanDerWaalsContact CD1-CD2 3.43Å
79N95.3Very high97Very high71 Ų7133 Ų3338%0.3817%0.168SC..THydrogen-bonded Turntrans-59.7135.5175.3-173.844.1000111N6 K75 E76 I77 Y81N6-N79 PolarHBondContact ND2-OD1 3.22Å; K75-N79 WeakPolarHBondContact O-CB 3.33Å; K75-N79 PolarHBondContact O-N 2.68Å; K75-N79 VanDerWaalsContact O-N 3.07Å; E76-N79 WeakPolarHBondContact O-CB 3.41Å; E76-N79 PolarHBondContact O-N 2.8Å; I77-N79 VanDerWaalsContact C-N 3.3Å; I77-N79 PolarHBondContact O-N 3.43Å; N79-Y81 VanDerWaalsContact C-N 3.28Å; N79-Y81 WeakPolarHBondContact O-CD2 3.39Å; N79-Y81 PolarHBondContact O-N 3.43Å
80N94Very high97.2Very high98 Ų9829.1 Ų29.152%0.52415%0.148SC..THydrogen-bonded Turntrans69.88.5-175.6-47.5-61.9000116.5P34 L78P34-N80 WeakPolarHBondContact CG-O 3.23Å; L78-N80 PolarHBondContact O-N 2.68Å
81Y97.3Very high97.3Very high20 Ų2028.7 Ų28.78%0.07815%0.148CC..  trans-100.1140.4169.1-63.5-91.4000110.3L8 P34 Y36 E40 L78 N79L8-Y81 WeakPolarHBondContact CD2-O 3.32Å; P34-Y81 HydrophobicContact CB-CD1 3.71Å; P34-Y81 HydrophobicContact CB-CE1 3.86Å; P34-Y81 HydrophobicContact CG-CD1 3.92Å; P34-Y81 HydrophobicContact CG-CE1 4.27Å; P34-Y81 HydrophobicContact CG-CG 4.46Å; P34-Y81 WeakPolarHBondContact O-CA 3.35Å; Y36-Y81 HydrophobicContact CD2-CD1 4.14Å; Y36-Y81 AromaticContact CD2-CD2 3.8Å; Y36-Y81 HydrophobicContact CD2-CD2 3.8Å; Y36-Y81 AromaticContact CD2-CE1 3.83Å; Y36-Y81 HydrophobicContact CD2-CE1 3.83Å; Y36-Y81 AromaticContact CD2-CE2 3.46Å; Y36-Y81 HydrophobicContact CD2-CE2 3.46Å; Y36-Y81 VanDerWaalsContact CD2-CE2 3.46Å; Y36-Y81 HydrophobicContact CD2-CG 4.11Å; Y36-Y81 AromaticContact CD2-CZ 3.46Å; Y36-Y81 VanDerWaalsContact CD2-CZ 3.46Å; Y36-Y81 AromaticContact CE2-CE2 3.95Å; Y36-Y81 HydrophobicContact CE2-CE2 3.95Å; Y36-Y81 HydrophobicContact CG-CE1 4.41Å; Y36-Y81 VanDerWaalsContact N-CD1 3.33Å; E40-Y81 HydrophobicContact CG-CE1 4.16Å; L78-Y81 PolarHBondContact O-N 2.88Å; N79-Y81 VanDerWaalsContact C-N 3.28Å; N79-Y81 WeakPolarHBondContact O-CD2 3.39Å; N79-Y81 PolarHBondContact O-N 3.43Å
82E96.8Very high97.5Very high22 Ų2226.9 Ų26.910%0.10314%0.139CC..SBendtrans-94.9-16.9175.3-65.8-75.8172.800111.7L8 L9 V10 K33 P34L8-E82 VanDerWaalsContact CD2-C 3.45Å; L9-E82 HydrophobicContact CD1-CB 4.5Å; L9-E82 WeakPolarHBondContact CD1-OE2 3.37Å; L9-E82 WeakPolarHBondContact CG-OE2 3.27Å; L9-E82 PolarHBondContact N-O 3.47Å; V10-E82 PolarHBondContact N-O 3.32Å; K33-E82 HydrophobicContact CB-CB 4.05Å; K33-E82 HydrophobicContact CB-CG 3.24Å; K33-E82 HydrophobicContact CD-CG 4.4Å; K33-E82 HydrophobicContact CG-CG 3.59Å; P34-E82 PolarHBondContact O-N 2.87Å; P34-E82 VanDerWaalsContact O-N 3.09Å
83A98.5Very high97.6Very high1 Ų122.3 Ų22.31%0.00812%0.115CC..EExtended strand (participates in β ladder)trans-144.9161.117800000111.6L8 V10 L27 C35 Y36L8-A83 VanDerWaalsContact CD2-C 3.48Å; L8-A83 VanDerWaalsContact CD2-CA 3.5Å; L8-A83 VanDerWaalsContact CD2-N 3.34Å; V10-A83 HydrophobicContact CB-CB 3.93Å; V10-A83 VanDerWaalsContact O-CA 3.26Å; V10-A83 WeakPolarHBondContact O-CA 3.48Å; L27-A83 HydrophobicContact CB-CB 4.18Å; L27-A83 HydrophobicContact CD1-CB 3.71Å; L27-A83 HydrophobicContact CG-CB 4.46Å; C35-A83 CarbonylContact C-O 3.51Å; C35-A83 VanDerWaalsContact CA-O 3.31Å; C35-A83 WeakPolarHBondContact CA-O 3.18Å; C35-A83 HydrophobicContact CB-CB 3.94Å; C35-A83 VanDerWaalsContact SG-CB 3.57Å; Y36-A83 PolarHBondContact N-O 2.89Å
84V98.8Very high97.7Very high1 Ų125 Ų251%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-139.7140175.556.40000110.3L8 V10 G12 Y36 L78 A89 L96L8-V84 HydrophobicContact CD1-CB 4.4Å; L8-V84 HydrophobicContact CD1-CG1 3.76Å; L8-V84 HydrophobicContact CD2-CB 4.4Å; L8-V84 HydrophobicContact CD2-CG1 4.3Å; V10-V84 PolarHBondContact O-N 3.21Å; V10-V84 VanDerWaalsContact O-N 3.08Å; G12-V84 VanDerWaalsContact CA-O 3.25Å; G12-V84 WeakPolarHBondContact CA-O 3.41Å; G12-V84 PolarHBondContact N-O 2.94Å; Y36-V84 HydrophobicContact CD1-CG2 4.41Å; L78-V84 HydrophobicContact CD2-CB 4.17Å; L78-V84 HydrophobicContact CD2-CG2 3.93Å; V84-A89 HydrophobicContact CG2-CB 3.17Å; V84-L96 HydrophobicContact CG1-CD1 4.01Å
85T98.8Very high97.6Very high1 Ų127.2 Ų27.21%0.00613%0.133CC..  trans-143.4166.2178.959.30000110.2L23 L27 Y36 H37L23-T85 HydrophobicContact CD2-CG2 3.94Å; L23-T85 HydrophobicContact CG-CG2 4.1Å; L27-T85 HydrophobicContact CD1-CG2 4.23Å; Y36-T85 PolarHBondContact O-N 3.48Å; Y36-T85 PolarHBondContact O-OG1 3.14Å; Y36-T85 VanDerWaalsContact O-OG1 3.06Å; H37-T85 WeakPolarHBondContact CA-O 3.18Å; H37-T85 PolarHBondContact CD2-OG1 3.45Å; H37-T85 VanDerWaalsContact CD2-OG1 3.28Å
86D98.7Very high97.7Very high13 Ų1323.1 Ų23.17%0.0712%0.115CC..SBendtrans67.1175.8174-155.322.3000114.4P16 T20 H37 M38 A89 C90P16-D86 VanDerWaalsContact CA-OD1 3.25Å; P16-D86 WeakPolarHBondContact CA-OD1 3.48Å; P16-D86 WeakPolarHBondContact CB-OD1 3.31Å; P16-D86 VanDerWaalsContact CG-OD1 3.3Å; P16-D86 WeakPolarHBondContact CG-OD1 3.4Å; T20-D86 HydrophobicContact CG2-CB 4.16Å; H37-D86 IonicContact CE1-OD2 2.74Å; H37-D86 PolarHBondContact CE1-OD2 3.24Å; H37-D86 IonicContact ND1-OD2 2.72Å; H37-D86 PolarHBondContact ND1-OD2 2.97Å; H37-D86 IonicContact NE2-OD2 3.56Å; H37-D86 PolarHBondContact NE2-OD2 2.89Å; M38-D86 VanDerWaalsContact CB-OD2 3.27Å; M38-D86 WeakPolarHBondContact CB-OD2 3.22Å; D86-A89 PolarHBondContact O-N 3.03Å; D86-C90 WeakPolarHBondContact O-CB 3.38Å; D86-C90 PolarHBondContact O-N 3.49Å
87V98.5Very high97.7Very high5 Ų518.5 Ų18.53%0.039%0.093CC..THydrogen-bonded Turntrans-65.6151.4163.4-70.30000110.2P16 M38 L156P16-V87 HydrophobicContact CG-CB 4.12Å; P16-V87 HydrophobicContact CG-CG1 3.55Å; P16-V87 HydrophobicContact CG-CG2 3.59Å; M38-V87 WeakPolarHBondContact CB-O 3.43Å; M38-V87 HydrophobicContact CE-CB 4.4Å; M38-V87 HydrophobicContact CE-CG2 3.74Å; V87-L156 HydrophobicContact CG1-CD2 4.09Å; V87-L156 HydrophobicContact CG1-CG 4.45Å
88P98.6Very high97.6Very high0 Ų023.3 Ų23.30%012%0.119CC..THydrogen-bonded Turncis-78-19.2-0.429.1-34.7000114.9I41 W52 F56 C90 L151I41-P88 VanDerWaalsContact CD1-CD 3.49Å; I41-P88 HydrophobicContact CD1-CG 3.86Å; W52-P88 HydrophobicContact CB-CG 4.2Å; W52-P88 HydrophobicContact CD2-CB 3.86Å; W52-P88 HydrophobicContact CD2-CG 3.22Å; W52-P88 HydrophobicContact CE3-CB 3.87Å; W52-P88 HydrophobicContact CE3-CG 3.72Å; W52-P88 HydrophobicContact CG-CB 4.15Å; W52-P88 HydrophobicContact CG-CG 3.45Å; W52-P88 VanDerWaalsContact CG-CG 3.45Å; W52-P88 HydrophobicContact CH2-CG 4.33Å; W52-P88 HydrophobicContact CZ2-CG 3.89Å; W52-P88 HydrophobicContact CZ3-CB 4.39Å; W52-P88 HydrophobicContact CZ3-CG 4.24Å; F56-P88 HydrophobicContact CE2-CB 3.92Å; F56-P88 HydrophobicContact CZ-CB 3.58Å; P88-C90 PolarHBondContact O-N 3.41Å; P88-L151 HydrophobicContact CB-CD1 4.37Å
89A98.6Very high97.6Very high1 Ų124.2 Ų24.21%0.00812%0.124CC..G310 helixtrans-70.9-26.2-165.200000115.4W52 V84 D86 G91 F92W52-A89 HydrophobicContact CH2-CB 3.63Å; W52-A89 HydrophobicContact CZ2-CB 4.05Å; W52-A89 HydrophobicContact CZ3-CB 4.47Å; V84-A89 HydrophobicContact CG2-CB 3.17Å; D86-A89 PolarHBondContact O-N 3.03Å; A89-G91 PolarHBondContact O-N 3.31Å; A89-G91 VanDerWaalsContact O-N 3.1Å; A89-F92 PolarHBondContact O-N 2.97Å
90C98.6Very high97.7Very high1 Ų121.4 Ų21.41%0.00711%0.108CC..G310 helixtrans-58.9-25.8-178.667.80000113.3D86 P88 F92 Y93 Y180D86-C90 WeakPolarHBondContact O-CB 3.38Å; D86-C90 PolarHBondContact O-N 3.49Å; P88-C90 PolarHBondContact O-N 3.41Å; C90-F92 VanDerWaalsContact C-N 3.31Å; C90-Y93 WeakPolarHBondContact O-CD1 3.24Å; C90-Y180 PolarHBondContact O-OH 3.47Å
91G97.7Very high97.8Very high6 Ų620.8 Ų20.86%0.06211%0.109CC..G310 helixtrans-67.7-30.3174.100000113.4A89 Y93A89-G91 PolarHBondContact O-N 3.31Å; A89-G91 VanDerWaalsContact O-N 3.1Å; G91-Y93 VanDerWaalsContact C-N 3.31Å; G91-Y93 PolarHBondContact O-N 3.14Å
92F98.1Very high97.8Very high0 Ų027 Ų270%014%0.144CC..G310 helixtrans-89.719-177.7-75.5-76.7000113.7W52 L55 F56 A59 I70 L74 A89 C90 K94 E95 L96 F158W52-F92 HydrophobicContact CE3-CD2 4.42Å; W52-F92 HydrophobicContact CE3-CE2 4.2Å; W52-F92 AromaticContact CZ3-CD2 3.72Å; W52-F92 HydrophobicContact CZ3-CD2 3.72Å; W52-F92 AromaticContact CZ3-CE2 3.91Å; W52-F92 HydrophobicContact CZ3-CE2 3.91Å; L55-F92 HydrophobicContact CB-CE2 4.41Å; L55-F92 HydrophobicContact CB-CZ 4.06Å; F56-F92 AromaticContact CD1-CE2 3.74Å; F56-F92 HydrophobicContact CD1-CE2 3.74Å; F56-F92 AromaticContact CD1-CZ 3.95Å; F56-F92 HydrophobicContact CD1-CZ 3.95Å; F56-F92 HydrophobicContact CE1-CD2 4.15Å; F56-F92 AromaticContact CE1-CE2 3.33Å; F56-F92 HydrophobicContact CE1-CE2 3.33Å; F56-F92 HydrophobicContact CE1-CZ 4.01Å; F56-F92 HydrophobicContact CZ-CE2 4.07Å; A59-F92 HydrophobicContact CB-CE1 4.18Å; A59-F92 HydrophobicContact CB-CZ 4.28Å; I70-F92 HydrophobicContact CG2-CD1 4.14Å; I70-F92 HydrophobicContact CG2-CE1 3.79Å; L74-F92 HydrophobicContact CD1-CB 4.22Å; L74-F92 HydrophobicContact CD1-CD1 4.1Å; L74-F92 HydrophobicContact CD1-CG 4.28Å; L74-F92 HydrophobicContact CD2-CB 4.19Å; L74-F92 HydrophobicContact CD2-CD2 4.21Å; L74-F92 HydrophobicContact CD2-CG 4.08Å; A89-F92 PolarHBondContact O-N 2.97Å; C90-F92 VanDerWaalsContact C-N 3.31Å; F92-K94 PolarHBondContact O-N 2.83Å; F92-K94 VanDerWaalsContact O-N 3.11Å; F92-E95 VanDerWaalsContact C-OE2 3.27Å; F92-E95 VanDerWaalsContact CA-OE2 3.24Å; F92-E95 WeakPolarHBondContact CA-OE2 3.49Å; F92-E95 HydrophobicContact CD1-CB 4.24Å; F92-E95 HydrophobicContact CD1-CG 3.99Å; F92-E95 PolarHBondContact O-N 3.41Å; F92-L96 HydrophobicContact CB-CD1 4.42Å; F92-L96 HydrophobicContact CB-CG 4.38Å; F92-L96 WeakPolarHBondContact O-CB 3.17Å; F92-L96 VanDerWaalsContact O-CG 3.26Å; F92-L96 WeakPolarHBondContact O-CG 3.27Å; F92-L96 PolarHBondContact O-N 2.87Å; F92-F158 AromaticContact CD1-CE1 3.66Å; F92-F158 HydrophobicContact CD1-CE1 3.66Å; F92-F158 AromaticContact CD1-CZ 3.73Å; F92-F158 HydrophobicContact CD1-CZ 3.73Å; F92-F158 HydrophobicContact CD2-CD1 4.29Å; F92-F158 AromaticContact CD2-CE1 3.75Å; F92-F158 HydrophobicContact CD2-CE1 3.75Å; F92-F158 AromaticContact CE1-CE1 3.63Å; F92-F158 HydrophobicContact CE1-CE1 3.63Å; F92-F158 HydrophobicContact CE1-CE2 4.28Å; F92-F158 AromaticContact CE1-CZ 3.4Å; F92-F158 HydrophobicContact CE1-CZ 3.4Å; F92-F158 HydrophobicContact CE2-CD1 4.13Å; F92-F158 AromaticContact CE2-CE1 3.75Å; F92-F158 HydrophobicContact CE2-CE1 3.75Å; F92-F158 HydrophobicContact CE2-CZ 4.26Å; F92-F158 AromaticContact CG-CE1 3.73Å; F92-F158 HydrophobicContact CG-CE1 3.73Å; F92-F158 HydrophobicContact CG-CZ 4.28Å; F92-F158 HydrophobicContact CZ-CD1 4.31Å; F92-F158 AromaticContact CZ-CE1 3.68Å; F92-F158 HydrophobicContact CZ-CE1 3.68Å; F92-F158 HydrophobicContact CZ-CE2 4.34Å; F92-F158 AromaticContact CZ-CZ 3.7Å; F92-F158 HydrophobicContact CZ-CZ 3.7Å
93Y98.6Very high97.8Very high3 Ų326 Ų261%0.01214%0.14CC..Hα-helixtrans-58.2-30.4-17473.5-84.1000113.3A13 C90 G91 M97 Y180 V184 T187 V188A13-Y93 HydrophobicContact CB-CG 4.16Å; C90-Y93 WeakPolarHBondContact O-CD1 3.24Å; G91-Y93 VanDerWaalsContact C-N 3.31Å; G91-Y93 PolarHBondContact O-N 3.14Å; Y93-M97 HydrophobicContact CD2-SD 4.31Å; Y93-M97 WeakPolarHBondContact O-CB 3.46Å; Y93-M97 WeakPolarHBondContact O-CG 3.2Å; Y93-M97 PolarHBondContact O-N 2.74Å; Y93-Y180 HydrophobicContact CE1-CE2 4.39Å; Y93-V184 HydrophobicContact CD1-CG2 4.36Å; Y93-V184 HydrophobicContact CE1-CG2 3.84Å; Y93-V184 HydrophobicContact CE2-CG1 4.4Å; Y93-V184 HydrophobicContact CE2-CG2 4.16Å; Y93-T187 HydrophobicContact CE2-CG2 4.13Å; Y93-V188 HydrophobicContact CD2-CG2 4.03Å; Y93-V188 HydrophobicContact CE2-CG2 3.91Å
94K97.5Very high97.8Very high69 Ų6928.5 Ų28.530%0.315%0.15SC..Hα-helixtrans-71.4-47.7178.2-64.9175.3-70.5178.20111.3F92 L96 M97 N98 T187F92-K94 PolarHBondContact O-N 2.83Å; F92-K94 VanDerWaalsContact O-N 3.11Å; K94-L96 VanDerWaalsContact C-N 3.34Å; K94-M97 WeakPolarHBondContact O-CB 3.26Å; K94-M97 PolarHBondContact O-N 3.42Å; K94-N98 PolarHBondContact O-N 3.49Å; K94-N98 VanDerWaalsContact O-N 3.12Å; K94-T187 HydrophobicContact CD-CG2 4.05Å; K94-T187 HydrophobicContact CG-CG2 3.97Å
95E96.5Very high97.8Very high48 Ų4828.4 Ų28.422%0.22415%0.15CC..Hα-helixtrans-62.5-44.9177.6-64.476.2-172.700109.7I70 L74 F92 M97 N98 I99I70-E95 HydrophobicContact CG2-CG 4.34Å; L74-E95 HydrophobicContact CD1-CB 3.85Å; F92-E95 VanDerWaalsContact C-OE2 3.27Å; F92-E95 VanDerWaalsContact CA-OE2 3.24Å; F92-E95 WeakPolarHBondContact CA-OE2 3.49Å; F92-E95 HydrophobicContact CD1-CB 4.24Å; F92-E95 HydrophobicContact CD1-CG 3.99Å; F92-E95 PolarHBondContact O-N 3.41Å; E95-M97 VanDerWaalsContact C-N 3.33Å; E95-M97 PolarHBondContact O-N 3.4Å; E95-N98 WeakPolarHBondContact O-CB 2.99Å; E95-N98 PolarHBondContact O-N 2.92Å; E95-N98 VanDerWaalsContact O-N 3.16Å; E95-I99 WeakPolarHBondContact O-CD1 3.49Å; E95-I99 VanDerWaalsContact O-CG1 3.25Å; E95-I99 WeakPolarHBondContact O-CG1 3.33Å; E95-I99 PolarHBondContact O-N 3.18Å
96L98.1Very high97.8Very high1 Ų128.4 Ų28.41%0.00515%0.149CC..Hα-helixtrans-61.7-38.8174.8-68.1170.9000112.3L8 I11 L74 L78 V84 F92 K94 N98 I99 Y100L8-L96 HydrophobicContact CD1-CD2 4.18Å; I11-L96 HydrophobicContact CD1-CB 3.68Å; I11-L96 HydrophobicContact CG1-CB 4.07Å; I11-L96 HydrophobicContact CG2-CB 4.24Å; I11-L96 HydrophobicContact CG2-CD1 4.04Å; L74-L96 HydrophobicContact CB-CD2 4.38Å; L74-L96 HydrophobicContact CD1-CD2 4.25Å; L74-L96 HydrophobicContact CD2-CD2 4.39Å; L78-L96 HydrophobicContact CD1-CD1 4.47Å; L78-L96 HydrophobicContact CD1-CD2 3.43Å; L78-L96 VanDerWaalsContact CD1-CD2 3.43Å; V84-L96 HydrophobicContact CG1-CD1 4.01Å; F92-L96 HydrophobicContact CB-CD1 4.42Å; F92-L96 HydrophobicContact CB-CG 4.38Å; F92-L96 WeakPolarHBondContact O-CB 3.17Å; F92-L96 VanDerWaalsContact O-CG 3.26Å; F92-L96 WeakPolarHBondContact O-CG 3.27Å; F92-L96 PolarHBondContact O-N 2.87Å; K94-L96 VanDerWaalsContact C-N 3.34Å; L96-N98 VanDerWaalsContact C-N 3.28Å; L96-N98 PolarHBondContact O-N 2.76Å; L96-I99 PolarHBondContact O-N 3.1Å; L96-Y100 HydrophobicContact CD2-CD2 4.29Å; L96-Y100 HydrophobicContact CD2-CE2 3.98Å; L96-Y100 WeakPolarHBondContact O-CD2 3.38Å; L96-Y100 PolarHBondContact O-N 3.11Å
97M97.8Very high97.8Very high18 Ų1827.8 Ų27.89%0.08915%0.146CC..Hα-helixtrans-63.1-34.9175.5-84174.162.800113.1I11 Y93 K94 E95 Y100 P101 V105 V188 R192I11-M97 HydrophobicContact CD1-CG 4Å; Y93-M97 HydrophobicContact CD2-SD 4.31Å; Y93-M97 WeakPolarHBondContact O-CB 3.46Å; Y93-M97 WeakPolarHBondContact O-CG 3.2Å; Y93-M97 PolarHBondContact O-N 2.74Å; K94-M97 WeakPolarHBondContact O-CB 3.26Å; K94-M97 PolarHBondContact O-N 3.42Å; E95-M97 VanDerWaalsContact C-N 3.33Å; E95-M97 PolarHBondContact O-N 3.4Å; M97-Y100 CarbonylContact O-C 3.31Å; M97-P101 WeakPolarHBondContact O-CA 3.35Å; M97-V105 HydrophobicContact CG-CG2 3.62Å; M97-V105 HydrophobicContact SD-CG2 3.72Å; M97-V188 HydrophobicContact CE-CB 4.44Å; M97-V188 HydrophobicContact CE-CG1 3.94Å; M97-V188 HydrophobicContact CE-CG2 4.4Å; M97-V188 HydrophobicContact SD-CB 4.34Å; M97-V188 HydrophobicContact SD-CG1 3.99Å; M97-V188 HydrophobicContact SD-CG2 3.72Å; M97-R192 PolarHBondContact O-NH1 2.98Å; M97-R192 PolarHBondContact O-NH2 3.4Å
98N95.7Very high97.9Very high109 Ų10927.9 Ų27.958%0.58315%0.147SC*.Hα-helixtrans-73-42176.3-69.1-14.5000111.2K94 E95 L96K94-N98 PolarHBondContact O-N 3.49Å; K94-N98 VanDerWaalsContact O-N 3.12Å; E95-N98 WeakPolarHBondContact O-CB 2.99Å; E95-N98 PolarHBondContact O-N 2.92Å; E95-N98 VanDerWaalsContact O-N 3.16Å; L96-N98 VanDerWaalsContact C-N 3.28Å; L96-N98 PolarHBondContact O-N 2.76Å
99I96.4Very high97.9Very high20 Ų2028.8 Ų28.810%0.10315%0.151CC..Hα-helixtrans-65.6-43.9178.7-65.5162.2000111.2Q71 L74 K75 E95 L96 P101Q71-I99 HydrophobicContact CB-CD1 4.07Å; Q71-I99 HydrophobicContact CB-CG1 4.08Å; Q71-I99 HydrophobicContact CG-CD1 3.94Å; Q71-I99 HydrophobicContact CG-CG1 3.7Å; L74-I99 HydrophobicContact CB-CD1 3.91Å; L74-I99 HydrophobicContact CD1-CD1 3.72Å; L74-I99 HydrophobicContact CG-CD1 4.48Å; K75-I99 HydrophobicContact CD-CG2 4.25Å; K75-I99 HydrophobicContact CG-CG2 3.85Å; E95-I99 WeakPolarHBondContact O-CD1 3.49Å; E95-I99 VanDerWaalsContact O-CG1 3.25Å; E95-I99 WeakPolarHBondContact O-CG1 3.33Å; E95-I99 PolarHBondContact O-N 3.18Å; L96-I99 PolarHBondContact O-N 3.1Å; I99-P101 VanDerWaalsContact O-CD 3.23Å; I99-P101 WeakPolarHBondContact O-CD 3.27Å
100Y97.2Very high97.9Very high12 Ų1232.3 Ų32.35%0.04717%0.165CC..SBendtrans-116.675.6-175.4-55.2-76.5000109.8D7 L8 L96 M97 N102 A103 R192D7-Y100 HydrophobicContact CB-CD1 3.96Å; D7-Y100 HydrophobicContact CB-CE1 4.33Å; L8-Y100 HydrophobicContact CB-CD1 4.07Å; L8-Y100 HydrophobicContact CB-CD2 3.9Å; L8-Y100 HydrophobicContact CB-CE1 4.26Å; L8-Y100 HydrophobicContact CB-CE2 4.13Å; L8-Y100 HydrophobicContact CB-CG 3.86Å; L8-Y100 HydrophobicContact CD1-CD2 3.88Å; L8-Y100 HydrophobicContact CD1-CE2 3.56Å; L8-Y100 HydrophobicContact CG-CD2 4.3Å; L8-Y100 HydrophobicContact CG-CE2 4.05Å; L96-Y100 HydrophobicContact CD2-CD2 4.29Å; L96-Y100 HydrophobicContact CD2-CE2 3.98Å; L96-Y100 WeakPolarHBondContact O-CD2 3.38Å; L96-Y100 PolarHBondContact O-N 3.11Å; M97-Y100 CarbonylContact O-C 3.31Å; Y100-N102 PolarHBondContact O-N 3.11Å; Y100-A103 WeakPolarHBondContact O-CB 3.35Å; Y100-A103 PolarHBondContact O-N 3.13Å; Y100-R192 PolarHBondContact O-NH2 3.03Å
101P97Very high97.9Very high86 Ų8636.1 Ų36.156%0.55819%0.185SC*.THydrogen-bonded Turntrans-62-22.1-170.524-35.2000114.3M97 I99 R192M97-P101 WeakPolarHBondContact O-CA 3.35Å; I99-P101 VanDerWaalsContact O-CD 3.23Å; I99-P101 WeakPolarHBondContact O-CD 3.27Å; P101-R192 VanDerWaalsContact O-CZ 3.26Å; P101-R192 PolarHBondContact O-NH2 3.35Å
102N96.5Very high97.9Very high151 Ų15138.2 Ų38.281%0.80719%0.192SC*.THydrogen-bonded Turntrans-91.4-11.1179.2-59.6-40000113.7Y100Y100-N102 PolarHBondContact O-N 3.11Å
103A98.1Very high97.9Very high1 Ų144.9 Ų44.91%0.00822%0.218CC..  trans-66.3138.9-17900000110.7L8 L9 I11 Y100 R192L8-A103 VanDerWaalsContact O-CB 3.24Å; L8-A103 WeakPolarHBondContact O-CB 3.23Å; L9-A103 CarbonylContact O-C 3.56Å; L9-A103 VanDerWaalsContact O-CA 3.31Å; L9-A103 WeakPolarHBondContact O-CA 3.17Å; I11-A103 HydrophobicContact CD1-CB 3.79Å; I11-A103 HydrophobicContact CG1-CB 4.01Å; Y100-A103 WeakPolarHBondContact O-CB 3.35Å; Y100-A103 PolarHBondContact O-N 3.13Å; A103-R192 PolarHBondContact O-NE 3.19Å; A103-R192 PolarHBondContact O-NH2 2.85Å
104K98.6Very high97.9Very high52 Ų5248.8 Ų48.823%0.22624%0.24CC..EExtended strand (participates in β ladder)trans-84.3151.6172-71.5-178.8176.6172.60110.7L9 V10 I11 F208 L209L9-K104 PolarHBondContact O-N 2.93Å; V10-K104 CarbonylContact C-O 3.56Å; V10-K104 WeakPolarHBondContact CA-O 3.32Å; I11-K104 PolarHBondContact N-O 2.99Å; K104-F208 HydrophobicContact CB-CE1 3.68Å; K104-F208 HydrophobicContact CB-CZ 4.08Å; K104-F208 HydrophobicContact CD-CD1 4.12Å; K104-F208 HydrophobicContact CD-CE1 3.82Å; K104-F208 HydrophobicContact CD-CE2 4.49Å; K104-F208 HydrophobicContact CD-CZ 4Å; K104-F208 HydrophobicContact CG-CE1 4.11Å; K104-F208 HydrophobicContact CG-CZ 4.18Å; K104-F208 PolarHBondContact NZ-O 3.2Å; K104-L209 HydrophobicContact CB-CD2 4.26Å; K104-L209 HydrophobicContact CD-CD2 3.96Å
105V98.9Very high98Very high0 Ų045.7 Ų45.70%023%0.226CC..EExtended strand (participates in β ladder)trans-108.8132.8179.7-172.50000110.1I11 A13 M97 V188 R192 L193 L194I11-V105 HydrophobicContact CB-CG2 4.4Å; I11-V105 CarbonylContact O-C 3.58Å; I11-V105 WeakPolarHBondContact O-CA 3.47Å; A13-V105 HydrophobicContact CB-CG1 4.12Å; M97-V105 HydrophobicContact CG-CG2 3.62Å; M97-V105 HydrophobicContact SD-CG2 3.72Å; V105-V188 HydrophobicContact CB-CG1 3.91Å; V105-V188 HydrophobicContact CG1-CG1 4.37Å; V105-V188 HydrophobicContact CG1-CG2 4.18Å; V105-V188 HydrophobicContact CG2-CG1 3.85Å; V105-R192 PolarHBondContact N-O 3.44Å; V105-L193 HydrophobicContact CB-CD1 4.21Å; V105-L193 HydrophobicContact CG1-CD1 4.03Å; V105-L193 WeakPolarHBondContact O-CA 3.41Å; V105-L194 PolarHBondContact O-N 3.43Å
106L98.9Very high98.1Very high0 Ų044.1 Ų44.10%022%0.219CC..EExtended strand (participates in β ladder)trans-114.6128.9175-59.3-177.6000109.7V10 I11 G12 A13 L23 L27 L194 L196 L205 F208V10-L106 HydrophobicContact CG1-CD1 3.48Å; V10-L106 VanDerWaalsContact CG1-CD1 3.48Å; V10-L106 HydrophobicContact CG1-CG 3.73Å; I11-L106 PolarHBondContact O-N 3.44Å; G12-L106 CarbonylContact C-O 3.58Å; G12-L106 WeakPolarHBondContact CA-O 3.2Å; A13-L106 PolarHBondContact N-O 2.9Å; L23-L106 HydrophobicContact CD1-CD1 3.78Å; L23-L106 HydrophobicContact CD2-CB 4.31Å; L23-L106 HydrophobicContact CD2-CD1 3.96Å; L23-L106 HydrophobicContact CG-CD1 4.4Å; L27-L106 HydrophobicContact CD2-CD1 4.42Å; L106-L194 WeakPolarHBondContact CA-O 3.37Å; L106-L194 HydrophobicContact CD2-CB 3.77Å; L106-L194 HydrophobicContact CD2-CD2 3.96Å; L106-L194 HydrophobicContact CD2-CG 4.33Å; L106-L196 HydrophobicContact CD2-CD1 4.42Å; L106-L205 HydrophobicContact CD1-CD1 3.58Å; L106-L205 HydrophobicContact CD2-CD1 4.19Å; L106-F208 HydrophobicContact CD2-CD1 3.79Å; L106-F208 HydrophobicContact CD2-CE1 3.83Å
107L98.9Very high98.1Very high0 Ų048.8 Ų48.80%024%0.241CC..EExtended strand (participates in β ladder)trans-113.1107.2171177.363.8000109.4A13 I109 Y180 V184 Q185 L193 L194 V195 L196A13-L107 HydrophobicContact CB-CD1 4.44Å; L107-I109 HydrophobicContact CD1-CG2 4.41Å; L107-I109 HydrophobicContact CD2-CG2 4.15Å; L107-I109 HydrophobicContact CG-CG2 3.9Å; L107-Y180 HydrophobicContact CD1-CE1 4.46Å; L107-V184 HydrophobicContact CB-CG1 4.16Å; L107-V184 HydrophobicContact CD1-CB 4.26Å; L107-V184 HydrophobicContact CD1-CG1 4.07Å; L107-V184 HydrophobicContact CD1-CG2 4.37Å; L107-V184 HydrophobicContact CD2-CB 4.01Å; L107-V184 HydrophobicContact CD2-CG1 3.9Å; L107-V184 HydrophobicContact CG-CG1 4.24Å; L107-Q185 HydrophobicContact CD2-CG 3.73Å; L107-L193 HydrophobicContact CB-CD1 4.07Å; L107-L194 PolarHBondContact N-O 2.88Å; L107-V195 HydrophobicContact CD2-CG2 4.38Å; L107-V195 WeakPolarHBondContact O-CA 3.35Å; L107-L196 PolarHBondContact O-N 3.39Å
108T98.9Very high98.1Very high7 Ų748.1 Ų48.14%0.04324%0.238CC..EExtended strand (participates in β ladder)trans-87125173.948.70000111.3G14 T18 L23 L196G14-T108 WeakPolarHBondContact CA-OG1 3.43Å; T18-T108 WeakPolarHBondContact CB-O 3.27Å; T18-T108 WeakPolarHBondContact CG2-O 3.42Å; T18-T108 WeakPolarHBondContact O-CB 3.49Å; T18-T108 WeakPolarHBondContact OG1-CB 3.43Å; T18-T108 PolarHBondContact OG1-O 3.16Å; T18-T108 VanDerWaalsContact OG1-O 3.05Å; T18-T108 PolarHBondContact OG1-OG1 3.35Å; L23-T108 HydrophobicContact CD2-CG2 3.82Å; T108-L196 CarbonylContact C-O 3.6Å; T108-L196 VanDerWaalsContact CA-O 3.32Å; T108-L196 WeakPolarHBondContact CA-O 3.38Å; T108-L196 HydrophobicContact CG2-CB 4.15Å
109I98.8Very high98.3Very high19 Ų1943 Ų4310%0.09721%0.21CC..EExtended strand (participates in β ladder)trans-126.1158.5-178.961.4169000111.7L107 N181 V195 L196 R197 L198L107-I109 HydrophobicContact CD1-CG2 4.41Å; L107-I109 HydrophobicContact CD2-CG2 4.15Å; L107-I109 HydrophobicContact CG-CG2 3.9Å; I109-N181 HydrophobicContact CG2-CB 4.44Å; I109-V195 HydrophobicContact CD1-CG1 3.53Å; I109-V195 HydrophobicContact CG1-CG1 3.87Å; I109-V195 HydrophobicContact CG2-CG1 4.45Å; I109-L196 PolarHBondContact N-O 3.08Å; I109-R197 HydrophobicContact CD1-CG 3.92Å; I109-R197 HydrophobicContact CG1-CG 3.83Å; I109-R197 CarbonylContact O-C 3.51Å; I109-R197 WeakPolarHBondContact O-CA 3.22Å; I109-L198 PolarHBondContact O-N 3.13Å
110R98.4Very high98.4Very high76 Ų7643.1 Ų43.129%0.28721%0.21SC..  trans-152.8179.5171.666.3176.3-63.3156.98.7109.6R17 T18 K112 D114 R115 Y177 L198R17-R110 WeakPolarHBondContact O-CD 3.48Å; T18-R110 HydrophobicContact CG2-CG 4.43Å; R110-K112 PolarHBondContact O-N 2.84Å; R110-D114 IonicContact NH2-OD2 3.02Å; R110-R115 HydrophobicContact CG-CB 3.77Å; R110-R115 HydrophobicContact CG-CG 4.27Å; R110-Y177 PolarHBondContact N-OH 3.49Å; R110-Y177 VanDerWaalsContact N-OH 3.12Å; R110-Y177 PolarHBondContact O-OH 3.25Å; R110-L198 HydrophobicContact CB-CB 3.95Å; R110-L198 HydrophobicContact CB-CD2 4.37Å; R110-L198 VanDerWaalsContact NH1-CD2 3.29Å
111D98.6Very high98.4Very high81 Ų8146.2 Ų46.243%0.43322%0.223SC..  trans-54.5132.4170.1177.5-90.5000111.1Y113 D114 R115D111-Y113 PolarHBondContact O-N 3.34Å; D111-Y113 WeakPolarHBondContact OD1-CA 3.48Å; D111-Y113 WeakPolarHBondContact OD1-CB 3.21Å; D111-Y113 PolarHBondContact OD1-N 2.88Å; D111-D114 HydrophobicContact CB-CB 4.07Å; D111-D114 PolarHBondContact O-N 2.99Å; D111-D114 PolarHBondContact OD1-N 2.84Å; D111-R115 WeakPolarHBondContact O-CB 3.35Å; D111-R115 PolarHBondContact O-N 3.11Å
112K98.7Very high98.4Very high50 Ų5043.3 Ų43.322%0.21720%0.204CC..Hα-helixtrans-69.5-32.9-17268179.6-154.3179.90113.1R110 R115 L116 L174 Y177 D178R110-K112 PolarHBondContact O-N 2.84Å; K112-R115 PolarHBondContact O-N 3.28Å; K112-L116 WeakPolarHBondContact O-CB 3.36Å; K112-L116 PolarHBondContact O-N 2.92Å; K112-L174 HydrophobicContact CB-CD2 3.95Å; K112-L174 HydrophobicContact CD-CD2 4.07Å; K112-L174 HydrophobicContact CG-CD2 3.8Å; K112-L174 WeakPolarHBondContact O-CD2 3.38Å; K112-Y177 HydrophobicContact CB-CD1 3.61Å; K112-Y177 HydrophobicContact CB-CE1 3.81Å; K112-D178 WeakPolarHBondContact CD-OD1 3.24Å; K112-D178 VanDerWaalsContact CD-OD2 3.28Å; K112-D178 WeakPolarHBondContact CD-OD2 3.37Å; K112-D178 IonicContact NZ-OD2 2.8Å; K112-D178 PolarHBondContact NZ-OD2 3.47Å
113Y98.8Very high98.4Very high139 Ų13938 Ų3855%0.54518%0.177SC..Hα-helixtrans-74.3-40.6178-64.1-76.6000110.6D111 R115 L116 H117 L174D111-Y113 PolarHBondContact O-N 3.34Å; D111-Y113 WeakPolarHBondContact OD1-CA 3.48Å; D111-Y113 WeakPolarHBondContact OD1-CB 3.21Å; D111-Y113 PolarHBondContact OD1-N 2.88Å; Y113-R115 VanDerWaalsContact C-N 3.32Å; Y113-R115 PolarHBondContact O-N 3.16Å; Y113-L116 PolarHBondContact O-N 3.07Å; Y113-H117 WeakPolarHBondContact O-CB 3.29Å; Y113-H117 PolarHBondContact O-N 3.19Å; Y113-L174 HydrophobicContact CD1-CD1 4.08Å; Y113-L174 HydrophobicContact CD1-CD2 4.18Å; Y113-L174 HydrophobicContact CE1-CD1 3.66Å; Y113-L174 HydrophobicContact CE1-CD2 4.35Å
114D98.5Very high98.4Very high86 Ų8638.6 Ų38.646%0.4618%0.18SC..Hα-helixtrans-61.3-42.1171.3-75.9-8.3000111.9R110 D111 H117 S118R110-D114 IonicContact NH2-OD2 3.02Å; D111-D114 HydrophobicContact CB-CB 4.07Å; D111-D114 PolarHBondContact O-N 2.99Å; D111-D114 PolarHBondContact OD1-N 2.84Å; D114-H117 PolarHBondContact O-N 3.5Å; D114-S118 PolarHBondContact O-N 3.48Å
115R98.4Very high98.4Very high3 Ų337 Ų371%0.01117%0.174CC..Hα-helixtrans-61.7-48.7176.1-169.7-90.8173.2178.1-0.5110.5P16 R17 T18 R110 D111 K112 Y113 S118 L119 Y177P16-R115 PolarHBondContact O-NE 3.35Å; P16-R115 PolarHBondContact O-NH2 3.01Å; R17-R115 HydrophobicContact CB-CG 4.46Å; T18-R115 HydrophobicContact CG2-CG 4.14Å; R110-R115 HydrophobicContact CG-CB 3.77Å; R110-R115 HydrophobicContact CG-CG 4.27Å; D111-R115 WeakPolarHBondContact O-CB 3.35Å; D111-R115 PolarHBondContact O-N 3.11Å; K112-R115 PolarHBondContact O-N 3.28Å; Y113-R115 VanDerWaalsContact C-N 3.32Å; Y113-R115 PolarHBondContact O-N 3.16Å; R115-S118 PolarHBondContact O-N 3.04Å; R115-L119 WeakPolarHBondContact O-CB 3.4Å; R115-L119 PolarHBondContact O-N 3.49Å; R115-Y177 HydrophobicContact CG-CD2 4.39Å; R115-Y177 HydrophobicContact CG-CE2 3.99Å
116L98.7Very high98.4Very high16 Ų1640.1 Ų40.18%0.08419%0.188CC..Hα-helixtrans-59.3-47.2177.7176.967.4000110.8K112 Y113 S118 L119 R120 D170 L173 L174K112-L116 WeakPolarHBondContact O-CB 3.36Å; K112-L116 PolarHBondContact O-N 2.92Å; Y113-L116 PolarHBondContact O-N 3.07Å; L116-S118 VanDerWaalsContact C-N 3.33Å; L116-S118 PolarHBondContact O-N 2.85Å; L116-L119 WeakPolarHBondContact O-CB 3.2Å; L116-L119 PolarHBondContact O-N 3.45Å; L116-L119 VanDerWaalsContact O-N 3.11Å; L116-R120 HydrophobicContact CD1-CG 4.35Å; L116-R120 WeakPolarHBondContact O-CG 3.39Å; L116-R120 PolarHBondContact O-N 2.99Å; L116-D170 HydrophobicContact CD2-CB 3.7Å; L116-L173 HydrophobicContact CD1-CB 4.05Å; L116-L173 HydrophobicContact CD1-CD1 4Å; L116-L174 HydrophobicContact CB-CD2 4.04Å; L116-L174 HydrophobicContact CD2-CD1 4.01Å; L116-L174 HydrophobicContact CD2-CD2 4.02Å; L116-L174 HydrophobicContact CD2-CG 3.9Å
117H98.6Very high98.3Very high99 Ų9943.6 Ų43.646%0.45821%0.213SC..Hα-helixtrans-55.9-48.4176.6-178.676000111.3Y113 D114 L119 R120 K121Y113-H117 WeakPolarHBondContact O-CB 3.29Å; Y113-H117 PolarHBondContact O-N 3.19Å; D114-H117 PolarHBondContact O-N 3.5Å; H117-L119 VanDerWaalsContact C-N 3.32Å; H117-L119 PolarHBondContact O-N 3.48Å; H117-R120 PolarHBondContact O-N 3.49Å; H117-K121 WeakPolarHBondContact O-CG 3.48Å; H117-K121 PolarHBondContact O-N 2.88Å
118S98.3Very high98.2Very high4 Ų449.9 Ų49.93%0.02825%0.246CC..Hα-helixtrans-66-34.1177.4-176.30000112.9R17 D114 R115 L116 K121 V122R17-S118 PolarHBondContact NE-OG 3.02Å; R17-S118 PolarHBondContact NH2-OG 3.46Å; R17-S118 VanDerWaalsContact NH2-OG 3.14Å; D114-S118 PolarHBondContact O-N 3.48Å; R115-S118 PolarHBondContact O-N 3.04Å; L116-S118 VanDerWaalsContact C-N 3.33Å; L116-S118 PolarHBondContact O-N 2.85Å; S118-K121 PolarHBondContact O-N 3.15Å; S118-V122 PolarHBondContact O-N 2.8Å
119L98.4Very high98.2Very high1 Ų151.7 Ų51.71%0.00526%0.256CS..Hα-helixtrans-64.2-46.5176.6-171.579.4000110.8R17 R115 L116 H117 K121 V122 V123 L124 L173R17-L119 HydrophobicContact CG-CB 4.38Å; R17-L119 HydrophobicContact CG-CD1 3.99Å; R115-L119 WeakPolarHBondContact O-CB 3.4Å; R115-L119 PolarHBondContact O-N 3.49Å; L116-L119 WeakPolarHBondContact O-CB 3.2Å; L116-L119 PolarHBondContact O-N 3.45Å; L116-L119 VanDerWaalsContact O-N 3.11Å; H117-L119 VanDerWaalsContact C-N 3.32Å; H117-L119 PolarHBondContact O-N 3.48Å; L119-K121 PolarHBondContact O-N 3.04Å; L119-V122 PolarHBondContact O-N 2.9Å; L119-V123 HydrophobicContact CD1-CB 3.75Å; L119-V123 HydrophobicContact CD1-CG1 4.21Å; L119-V123 HydrophobicContact CD1-CG2 4.08Å; L119-V123 HydrophobicContact CG-CB 4.39Å; L119-V123 PolarHBondContact O-N 3.12Å; L119-L124 HydrophobicContact CD2-CB 4.29Å; L119-L124 HydrophobicContact CD2-CD1 4.03Å; L119-L124 HydrophobicContact CG-CB 4.22Å; L119-L124 HydrophobicContact CG-CD1 4.48Å; L119-L124 PolarHBondContact O-N 3.39Å; L119-L173 HydrophobicContact CD2-CD1 4.05Å
120R98.5Very high98.1Very high22 Ų2255.6 Ų55.68%0.08328%0.282CS..Hα-helixtrans-59.9-32.6177.5-68.7-52.1-169.3-171.9-4.7113L116 H117 L124 P125 F167 D168 D170L116-R120 HydrophobicContact CD1-CG 4.35Å; L116-R120 WeakPolarHBondContact O-CG 3.39Å; L116-R120 PolarHBondContact O-N 2.99Å; H117-R120 PolarHBondContact O-N 3.49Å; R120-L124 WeakPolarHBondContact CD-O 3.41Å; R120-L124 PolarHBondContact NH1-O 2.92Å; R120-P125 WeakPolarHBondContact O-CA 3.45Å; R120-F167 PolarHBondContact NH1-O 3.07Å; R120-F167 PolarHBondContact NH2-O 3.49Å; R120-D168 PolarHBondContact NH2-O 3.35Å; R120-D170 IonicContact CZ-OD1 2.68Å; R120-D170 IonicContact NE-OD1 2.65Å; R120-D170 PolarHBondContact NE-OD1 3.27Å; R120-D170 IonicContact NH2-OD1 3.39Å; R120-D170 PolarHBondContact NH2-OD1 3.49Å
121K98.1Very high98.1Very high78 Ų7854.4 Ų54.434%0.33928%0.278SS..Hα-helixtrans-80.6-19.2-179.6-69.1-63.9-175.6-173.50114.9H117 S118 L119 W131 H225H117-K121 WeakPolarHBondContact O-CG 3.48Å; H117-K121 PolarHBondContact O-N 2.88Å; S118-K121 PolarHBondContact O-N 3.15Å; L119-K121 PolarHBondContact O-N 3.04Å; K121-W131 PolarHBondContact O-NE1 3.32Å; K121-H225 HydrophobicContact CB-CB 3.94Å
122V97.2Very high98.1Very high24 Ų2453.9 Ų53.915%0.14527%0.271CS..Hα-helixtrans-128.4-41.1-167.5-1780000114S118 L119 H225 M228S118-V122 PolarHBondContact O-N 2.8Å; L119-V122 PolarHBondContact O-N 2.9Å; V122-H225 HydrophobicContact CG2-CB 3.69Å; V122-M228 HydrophobicContact CG1-CB 4.06Å; V122-M228 HydrophobicContact CG1-CE 4.31Å; V122-M228 HydrophobicContact CG1-CG 3.87Å; V122-M228 HydrophobicContact CG2-CB 3.89Å; V122-M228 HydrophobicContact CG2-CG 4.16Å
123V97Very high98Very high40 Ų4056.9 Ų56.924%0.24229%0.29CS..THydrogen-bonded Turntrans-116-45.7-167.6-173.90000111.9R17 L119 T152R17-V123 HydrophobicContact CG-CG2 4.13Å; L119-V123 HydrophobicContact CD1-CB 3.75Å; L119-V123 HydrophobicContact CD1-CG1 4.21Å; L119-V123 HydrophobicContact CD1-CG2 4.08Å; L119-V123 HydrophobicContact CG-CB 4.39Å; L119-V123 PolarHBondContact O-N 3.12Å; V123-T152 HydrophobicContact CG1-CG2 3.77Å
124L97.5Very high98Very high14 Ų1454.2 Ų54.27%0.07328%0.281CS..  trans-132.466.1-174.7-78.1169.6000111L119 R120 L156 F167L119-L124 HydrophobicContact CD2-CB 4.29Å; L119-L124 HydrophobicContact CD2-CD1 4.03Å; L119-L124 HydrophobicContact CG-CB 4.22Å; L119-L124 HydrophobicContact CG-CD1 4.48Å; L119-L124 PolarHBondContact O-N 3.39Å; R120-L124 WeakPolarHBondContact CD-O 3.41Å; R120-L124 PolarHBondContact NH1-O 2.92Å; L124-L156 HydrophobicContact CD1-CD1 3.36Å; L124-L156 HydrophobicContact CG-CD1 4.24Å; L124-F167 HydrophobicContact CD1-CD1 3.57Å; L124-F167 HydrophobicContact CD1-CE1 3.95Å; L124-F167 HydrophobicContact CD1-CG 4.46Å; L124-F167 HydrophobicContact CD2-CB 4.38Å; L124-F167 HydrophobicContact CD2-CD1 4.05Å; L124-F167 HydrophobicContact CD2-CG 4.22Å; L124-F167 HydrophobicContact CG-CD1 4.47Å
125P98.1Very high98Very high17 Ų1751 Ų5111%0.1126%0.263CS..  trans-55.4146.8167.429.5-37.1000109.9R120 D129 K132 I135R120-P125 WeakPolarHBondContact O-CA 3.45Å; P125-D129 HydrophobicContact CB-CB 4.27Å; P125-K132 HydrophobicContact CB-CB 4Å; P125-K132 HydrophobicContact CG-CB 3.66Å; P125-K132 HydrophobicContact CG-CD 4.35Å; P125-K132 HydrophobicContact CG-CG 3.81Å; P125-I135 HydrophobicContact CG-CD1 3.96Å
126K98.3Very high98Very high66 Ų6653.3 Ų53.329%0.28727%0.274SS..  trans-61.1150.8175.1-69.9-169.5177.6-174.80110.1N128 D129 D168 D170K126-N128 WeakPolarHBondContact CB-OD1 3.42Å; K126-N128 PolarHBondContact O-N 3.32Å; K126-N128 VanDerWaalsContact O-N 3.08Å; K126-D129 HydrophobicContact CB-CB 4.44Å; K126-D129 WeakPolarHBondContact O-CB 3.36Å; K126-D129 PolarHBondContact O-N 3.38Å; K126-D168 WeakPolarHBondContact CA-OD1 3.38Å; K126-D168 WeakPolarHBondContact CE-O 3.03Å; K126-D170 WeakPolarHBondContact CE-OD1 3.24Å; K126-D170 WeakPolarHBondContact CE-OD2 3.4Å; K126-D170 IonicContact NZ-OD1 2.83Å; K126-D170 IonicContact NZ-OD2 3.21Å; K126-D170 PolarHBondContact NZ-OD2 2.81Å
127S97.4Very high97.9Very high74 Ų7456 Ų5652%0.51729%0.286SS..THydrogen-bonded Turntrans-55.8-29-178.8630000113.6D168S127-D168 WeakPolarHBondContact CB-OD2 3.05Å; S127-D168 PolarHBondContact N-OD1 2.83Å; S127-D168 PolarHBondContact OG-OD2 3.39Å
128N97.7Very high97.9Very high131 Ų13151.3 Ų51.370%0.70127%0.265SS*.THydrogen-bonded Turntrans-951.3177.870-17.8000114.5K126 P130K126-N128 WeakPolarHBondContact CB-OD1 3.42Å; K126-N128 PolarHBondContact O-N 3.32Å; K126-N128 VanDerWaalsContact O-N 3.08Å; N128-P130 WeakPolarHBondContact O-CD 3.3Å
129D98Very high97.9Very high46 Ų4652.2 Ų52.225%0.24627%0.269CS..  trans-79.1117.8176.7-169.7-26.8000109.8P125 K126 W131 K132P125-D129 HydrophobicContact CB-CB 4.27Å; K126-D129 HydrophobicContact CB-CB 4.44Å; K126-D129 WeakPolarHBondContact O-CB 3.36Å; K126-D129 PolarHBondContact O-N 3.38Å; D129-W131 PolarHBondContact O-N 3Å; D129-W131 VanDerWaalsContact O-N 3.08Å; D129-W131 WeakPolarHBondContact OD1-CB 3.25Å; D129-W131 PolarHBondContact OD1-N 2.84Å; D129-K132 WeakPolarHBondContact O-CB 3.37Å; D129-K132 PolarHBondContact O-N 3.48Å
130P97.8Very high97.8Very high100 Ų10059.2 Ų59.265%0.64930%0.3SS*.THydrogen-bonded Turntrans-58.8-23.6178.4-23.234.2000113.7N128 K132 L133N128-P130 WeakPolarHBondContact O-CD 3.3Å; P130-K132 PolarHBondContact O-N 2.9Å; P130-L133 PolarHBondContact O-N 3.39Å
131W97.7Very high97.8Very high51 Ų5159.6 Ų59.619%0.19330%0.304CS..Hα-helixtrans-63.4-24.4176-170.4-111.1000112.6K121 D129 L133 K134 I135 T229 T232 E233K121-W131 PolarHBondContact O-NE1 3.32Å; D129-W131 PolarHBondContact O-N 3Å; D129-W131 VanDerWaalsContact O-N 3.08Å; D129-W131 WeakPolarHBondContact OD1-CB 3.25Å; D129-W131 PolarHBondContact OD1-N 2.84Å; W131-L133 VanDerWaalsContact C-N 3.26Å; W131-L133 PolarHBondContact O-N 3.34Å; W131-K134 HydrophobicContact CD2-CB 4.09Å; W131-K134 HydrophobicContact CE3-CB 3.73Å; W131-K134 HydrophobicContact CE3-CG 3.85Å; W131-K134 HydrophobicContact CH2-CB 4.12Å; W131-K134 HydrophobicContact CZ2-CB 4.44Å; W131-K134 HydrophobicContact CZ3-CB 3.76Å; W131-K134 HydrophobicContact CZ3-CG 3.84Å; W131-K134 WeakPolarHBondContact O-CB 3.4Å; W131-K134 PolarHBondContact O-N 3.05Å; W131-I135 PolarHBondContact O-N 3.05Å; W131-T229 HydrophobicContact CH2-CG2 3.82Å; W131-T229 HydrophobicContact CZ2-CG2 3.75Å; W131-T232 HydrophobicContact CH2-CG2 4.41Å; W131-T232 HydrophobicContact CZ2-CG2 4.09Å; W131-E233 HydrophobicContact CH2-CG 4.03Å
132K97.9Very high97.7Very high70 Ų7056.9 Ų56.930%0.30429%0.293SS..Hα-helixtrans-54-43.7173.5-177.7172.8176.2173.20111.9P125 D129 P130 K134 I135 E136P125-K132 HydrophobicContact CB-CB 4Å; P125-K132 HydrophobicContact CG-CB 3.66Å; P125-K132 HydrophobicContact CG-CD 4.35Å; P125-K132 HydrophobicContact CG-CG 3.81Å; D129-K132 WeakPolarHBondContact O-CB 3.37Å; D129-K132 PolarHBondContact O-N 3.48Å; P130-K132 PolarHBondContact O-N 2.9Å; K132-K134 PolarHBondContact O-N 3.33Å; K132-I135 PolarHBondContact O-N 2.97Å; K132-E136 WeakPolarHBondContact CE-OE1 3.49Å; K132-E136 WeakPolarHBondContact O-CG 3.49Å; K132-E136 PolarHBondContact O-N 3.29Å
133L97.9Very high97.7Very high114 Ų11458.1 Ų58.160%0.59731%0.311SS*.Hα-helixtrans-64.8-29.4178.9-61.6175.8000112.4P130 W131 E137P130-L133 PolarHBondContact O-N 3.39Å; W131-L133 VanDerWaalsContact C-N 3.26Å; W131-L133 PolarHBondContact O-N 3.34Å; L133-E137 WeakPolarHBondContact O-CB 3.49Å; L133-E137 PolarHBondContact O-N 3.48Å
134K98.1Very high97.7Very high83 Ų8356.4 Ų56.436%0.36130%0.301SS..Hα-helixtrans-74.7-41.2176.3-69.1-70.4168.1-161.80111.7W131 K132 E136 E137 G138 T232 I236W131-K134 HydrophobicContact CD2-CB 4.09Å; W131-K134 HydrophobicContact CE3-CB 3.73Å; W131-K134 HydrophobicContact CE3-CG 3.85Å; W131-K134 HydrophobicContact CH2-CB 4.12Å; W131-K134 HydrophobicContact CZ2-CB 4.44Å; W131-K134 HydrophobicContact CZ3-CB 3.76Å; W131-K134 HydrophobicContact CZ3-CG 3.84Å; W131-K134 WeakPolarHBondContact O-CB 3.4Å; W131-K134 PolarHBondContact O-N 3.05Å; K132-K134 PolarHBondContact O-N 3.33Å; K134-E136 VanDerWaalsContact C-N 3.33Å; K134-E137 IonicContact NZ-OE2 2.81Å; K134-E137 PolarHBondContact NZ-OE2 3.43Å; K134-E137 PolarHBondContact O-N 3.23Å; K134-G138 PolarHBondContact O-N 3.11Å; K134-T232 HydrophobicContact CB-CG2 4.41Å; K134-T232 WeakPolarHBondContact O-CG2 3.41Å; K134-I236 HydrophobicContact CB-CD1 4.18Å; K134-I236 HydrophobicContact CD-CD1 3.63Å; K134-I236 WeakPolarHBondContact O-CD1 3.44Å
135I97.9Very high97.6Very high17 Ų1759.3 Ų59.39%0.08732%0.316CS..Hα-helixtrans-57.8-49.9170.9-68.2168.2000109.4P125 W131 K132 E137 G138 D139P125-I135 HydrophobicContact CG-CD1 3.96Å; W131-I135 PolarHBondContact O-N 3.05Å; K132-I135 PolarHBondContact O-N 2.97Å; I135-E137 VanDerWaalsContact C-N 3.3Å; I135-E137 PolarHBondContact O-N 3.38Å; I135-G138 PolarHBondContact O-N 2.84Å; I135-G138 VanDerWaalsContact O-N 3.09Å; I135-D139 WeakPolarHBondContact CG2-OD2 3.39Å; I135-D139 WeakPolarHBondContact O-CB 3.18Å; I135-D139 VanDerWaalsContact O-CG 3.3Å; I135-D139 PolarHBondContact O-N 3.39Å
136E98Very high97.6Very high53 Ų5362.4 Ų62.425%0.24834%0.338CS..Hα-helixtrans-61-34.8179.1-69.7172.4-174.800114K132 K134 K140 Y149K132-E136 WeakPolarHBondContact CE-OE1 3.49Å; K132-E136 WeakPolarHBondContact O-CG 3.49Å; K132-E136 PolarHBondContact O-N 3.29Å; K134-E136 VanDerWaalsContact C-N 3.33Å; E136-K140 VanDerWaalsContact O-CG 3.3Å; E136-K140 WeakPolarHBondContact O-CG 3.39Å; E136-K140 PolarHBondContact O-N 2.95Å; E136-Y149 WeakPolarHBondContact CA-OH 3.33Å
137E98Very high97.6Very high71 Ų7162.8 Ų62.833%0.33234%0.343SS..Hα-helixtrans-67.4-42.6174.9-167.5-179.2-179.400111.5L133 K134 I135 I236L133-E137 WeakPolarHBondContact O-CB 3.49Å; L133-E137 PolarHBondContact O-N 3.48Å; K134-E137 IonicContact NZ-OE2 2.81Å; K134-E137 PolarHBondContact NZ-OE2 3.43Å; K134-E137 PolarHBondContact O-N 3.23Å; I135-E137 VanDerWaalsContact C-N 3.3Å; I135-E137 PolarHBondContact O-N 3.38Å; E137-I236 HydrophobicContact CB-CD1 4.11Å; E137-I236 HydrophobicContact CB-CG1 4.05Å; E137-I236 HydrophobicContact CG-CD1 4.31Å; E137-I236 HydrophobicContact CG-CG1 3.91Å; E137-I236 HydrophobicContact CG-CG2 4.29Å; E137-I236 WeakPolarHBondContact OE1-CG2 3.47Å
138G97.6Very high97.6Very high1 Ų160 Ų601%0.0132%0.322CS..Hα-helixtrans-67.8-40.7175.200000113.1K134 I135 K140 V141 L142K134-G138 PolarHBondContact O-N 3.11Å; I135-G138 PolarHBondContact O-N 2.84Å; I135-G138 VanDerWaalsContact O-N 3.09Å; G138-K140 VanDerWaalsContact C-N 3.3Å; G138-K140 PolarHBondContact O-N 3.44Å; G138-V141 VanDerWaalsContact O-CB 3.29Å; G138-V141 WeakPolarHBondContact O-CB 3.32Å; G138-V141 PolarHBondContact O-N 2.92Å; G138-L142 PolarHBondContact O-N 3.03Å
139D97.6Very high97.6Very high23 Ų2356.8 Ų56.812%0.12330%0.301CS..Hα-helixtrans-63.6-35.6179.5-76.1-9.4000111.8I135 V141 L142 G143 L144 Y149I135-D139 WeakPolarHBondContact CG2-OD2 3.39Å; I135-D139 WeakPolarHBondContact O-CB 3.18Å; I135-D139 VanDerWaalsContact O-CG 3.3Å; I135-D139 PolarHBondContact O-N 3.39Å; D139-V141 VanDerWaalsContact C-N 3.28Å; D139-V141 PolarHBondContact O-N 3.29Å; D139-L142 CarbonylContact O-C 3.5Å; D139-L142 WeakPolarHBondContact O-CA 3.34Å; D139-L142 WeakPolarHBondContact O-CB 3.47Å; D139-L142 PolarHBondContact O-N 2.91Å; D139-G143 PolarHBondContact O-N 3.28Å; D139-L144 HydrophobicContact CB-CB 4.07Å; D139-L144 HydrophobicContact CB-CD1 4.32Å; D139-L144 WeakPolarHBondContact O-CB 3.25Å; D139-L144 PolarHBondContact O-N 2.91Å; D139-Y149 VanDerWaalsContact CB-OH 3.22Å; D139-Y149 WeakPolarHBondContact CB-OH 3.22Å; D139-Y149 WeakPolarHBondContact OD2-CE1 3.32Å; D139-Y149 PolarHBondContact OD2-OH 2.87Å; D139-Y149 VanDerWaalsContact OD2-OH 3.09Å
140K97.9Very high97.6Very high149 Ų14959 Ų5965%0.64831%0.308SS*.Hα-helixtrans-61.2-35.2171.9-75.4168.6-172.8169.90112.9E136 G138 L142 G143E136-K140 VanDerWaalsContact O-CG 3.3Å; E136-K140 WeakPolarHBondContact O-CG 3.39Å; E136-K140 PolarHBondContact O-N 2.95Å; G138-K140 VanDerWaalsContact C-N 3.3Å; G138-K140 PolarHBondContact O-N 3.44Å; K140-L142 PolarHBondContact O-N 3.32Å; K140-G143 PolarHBondContact O-N 2.99Å; K140-G143 VanDerWaalsContact O-N 3.08Å
141V97.5Very high97.7Very high29 Ų2954.2 Ų54.218%0.17628%0.277CS..Hα-helixtrans-64.9-30.3175.1178.10000110.9G138 D139 G143 L235 Q239G138-V141 VanDerWaalsContact O-CB 3.29Å; G138-V141 WeakPolarHBondContact O-CB 3.32Å; G138-V141 PolarHBondContact O-N 2.92Å; D139-V141 VanDerWaalsContact C-N 3.28Å; D139-V141 PolarHBondContact O-N 3.29Å; V141-G143 VanDerWaalsContact C-N 3.28Å; V141-L235 HydrophobicContact CB-CB 4.41Å; V141-L235 HydrophobicContact CB-CD2 4.47Å; V141-L235 HydrophobicContact CG1-CB 4.44Å; V141-L235 HydrophobicContact CG1-CD2 3.96Å; V141-Q239 VanDerWaalsContact CG1-C 3.4Å
142L96.6Very high97.7Very high21 Ų2152.4 Ų52.411%0.1127%0.271CS..THydrogen-bonded Turntrans-83.70.4175.2-60.4177000113.4I42 Q46 G138 D139 K140 L144 L235 L241I42-L142 HydrophobicContact CG2-CD1 3.93Å; Q46-L142 PolarHBondContact NE2-O 3.43Å; G138-L142 PolarHBondContact O-N 3.03Å; D139-L142 CarbonylContact O-C 3.5Å; D139-L142 WeakPolarHBondContact O-CA 3.34Å; D139-L142 WeakPolarHBondContact O-CB 3.47Å; D139-L142 PolarHBondContact O-N 2.91Å; K140-L142 PolarHBondContact O-N 3.32Å; L142-L144 VanDerWaalsContact C-N 3.26Å; L142-L144 HydrophobicContact CB-CD1 4.1Å; L142-L144 HydrophobicContact CB-CG 3.92Å; L142-L144 HydrophobicContact CD1-CD1 4.2Å; L142-L144 PolarHBondContact O-N 3.03Å; L142-L235 HydrophobicContact CD1-CD1 3.87Å; L142-L235 HydrophobicContact CD2-CD1 4.12Å; L142-L235 HydrophobicContact CD2-CD2 3.75Å; L142-L235 HydrophobicContact CG-CD1 3.93Å; L142-L235 HydrophobicContact CG-CD2 4.27Å; L142-L241 HydrophobicContact CD2-CB 4.03Å; L142-L241 HydrophobicContact CD2-CD1 4.13Å; L142-L241 HydrophobicContact CD2-CD2 3.93Å; L142-L241 HydrophobicContact CD2-CG 4.25Å
143G97.1Very high97.7Very high50 Ų5052.4 Ų52.452%0.51527%0.272SS..THydrogen-bonded Turntrans75.910.5-175.600000114.3D139 K140 V141D139-G143 PolarHBondContact O-N 3.28Å; K140-G143 PolarHBondContact O-N 2.99Å; K140-G143 VanDerWaalsContact O-N 3.08Å; V141-G143 VanDerWaalsContact C-N 3.28Å
144L97.7Very high97.6Very high5 Ų548.3 Ų48.33%0.02625%0.251CS..  trans-82138179.4-53.2176000110.3I42 Q46 D139 L142 F148I42-L144 HydrophobicContact CG1-CD1 4.09Å; I42-L144 HydrophobicContact CG2-CD1 4.1Å; Q46-L144 HydrophobicContact CG-CD2 4.48Å; D139-L144 HydrophobicContact CB-CB 4.07Å; D139-L144 HydrophobicContact CB-CD1 4.32Å; D139-L144 WeakPolarHBondContact O-CB 3.25Å; D139-L144 PolarHBondContact O-N 2.91Å; L142-L144 VanDerWaalsContact C-N 3.26Å; L142-L144 HydrophobicContact CB-CD1 4.1Å; L142-L144 HydrophobicContact CB-CG 3.92Å; L142-L144 HydrophobicContact CD1-CD1 4.2Å; L142-L144 PolarHBondContact O-N 3.03Å; L144-F148 HydrophobicContact CB-CB 4.09Å; L144-F148 HydrophobicContact CB-CD1 4.07Å; L144-F148 HydrophobicContact CB-CG 4.06Å; L144-F148 HydrophobicContact CD1-CD1 3.94Å; L144-F148 HydrophobicContact CD1-CD2 4.33Å; L144-F148 HydrophobicContact CD1-CE1 3.87Å; L144-F148 HydrophobicContact CD1-CE2 4.25Å; L144-F148 HydrophobicContact CD1-CG 4.17Å; L144-F148 HydrophobicContact CD1-CZ 4.03Å; L144-F148 HydrophobicContact CD2-CB 4.35Å; L144-F148 HydrophobicContact CD2-CD2 3.94Å; L144-F148 HydrophobicContact CD2-CE2 4.42Å; L144-F148 HydrophobicContact CD2-CG 4.05Å; L144-F148 HydrophobicContact CG-CD1 4.43Å; L144-F148 HydrophobicContact CG-CG 4.31Å
145N95.5Very high97.6Very high74 Ų7444.3 Ų44.340%0.39623%0.234SC..  trans-131.2-163.7-17371.71.6000111.6D147 F148 Y149N145-D147 PolarHBondContact ND2-OD2 3.32Å; N145-D147 PolarHBondContact O-N 3.35Å; N145-D147 VanDerWaalsContact OD1-CB 3.3Å; N145-D147 WeakPolarHBondContact OD1-CB 3.5Å; N145-D147 PolarHBondContact OD1-N 3Å; N145-D147 PolarHBondContact OD1-OD2 2.95Å; N145-F148 WeakPolarHBondContact O-CB 3.41Å; N145-F148 PolarHBondContact O-N 3.44Å; N145-Y149 WeakPolarHBondContact O-CD2 3.41Å; N145-Y149 PolarHBondContact O-N 3.45Å
146S97.5Very high97.7Very high83 Ų8343.6 Ų43.658%0.5823%0.23SC*.Hα-helixtrans-54.2-32.2176.448.80000114.6F148 Y149 K150S146-F148 VanDerWaalsContact C-N 3.34Å; S146-Y149 PolarHBondContact O-N 3.38Å; S146-K150 WeakPolarHBondContact O-CB 3.37Å; S146-K150 PolarHBondContact O-N 3.5Å
147D98.1Very high97.6Very high73 Ų7343.1 Ų43.139%0.3923%0.227SC..Hα-helixtrans-71.6-34.6-176.4-50.3-37.1000110.5I49 N145 K150 L151I49-D147 HydrophobicContact CG2-CB 4.13Å; N145-D147 PolarHBondContact ND2-OD2 3.32Å; N145-D147 PolarHBondContact O-N 3.35Å; N145-D147 VanDerWaalsContact OD1-CB 3.3Å; N145-D147 WeakPolarHBondContact OD1-CB 3.5Å; N145-D147 PolarHBondContact OD1-N 3Å; N145-D147 PolarHBondContact OD1-OD2 2.95Å; D147-K150 PolarHBondContact O-N 3.26Å; D147-L151 WeakPolarHBondContact O-CB 3.46Å; D147-L151 PolarHBondContact O-N 3.13Å
148F98.3Very high97.6Very high17 Ų1741.5 Ų41.58%0.07522%0.219CC..Hα-helixtrans-64.9-42.1171.9176.3-101.6000112.6M38 I42 I49 L144 N145 S146 L151 T152M38-F148 HydrophobicContact CG-CE2 4.38Å; M38-F148 HydrophobicContact CG-CZ 4.48Å; M38-F148 HydrophobicContact SD-CE2 3.58Å; M38-F148 VanDerWaalsContact SD-CE2 3.58Å; M38-F148 HydrophobicContact SD-CZ 4.18Å; I42-F148 HydrophobicContact CD1-CE2 4.14Å; I42-F148 HydrophobicContact CD1-CZ 3.91Å; I42-F148 HydrophobicContact CG1-CE2 3.69Å; I42-F148 HydrophobicContact CG1-CZ 3.94Å; I49-F148 HydrophobicContact CD1-CB 4.22Å; I49-F148 HydrophobicContact CD1-CD2 4.24Å; L144-F148 HydrophobicContact CB-CB 4.09Å; L144-F148 HydrophobicContact CB-CD1 4.07Å; L144-F148 HydrophobicContact CB-CG 4.06Å; L144-F148 HydrophobicContact CD1-CD1 3.94Å; L144-F148 HydrophobicContact CD1-CD2 4.33Å; L144-F148 HydrophobicContact CD1-CE1 3.87Å; L144-F148 HydrophobicContact CD1-CE2 4.25Å; L144-F148 HydrophobicContact CD1-CG 4.17Å; L144-F148 HydrophobicContact CD1-CZ 4.03Å; L144-F148 HydrophobicContact CD2-CB 4.35Å; L144-F148 HydrophobicContact CD2-CD2 3.94Å; L144-F148 HydrophobicContact CD2-CE2 4.42Å; L144-F148 HydrophobicContact CD2-CG 4.05Å; L144-F148 HydrophobicContact CG-CD1 4.43Å; L144-F148 HydrophobicContact CG-CG 4.31Å; N145-F148 WeakPolarHBondContact O-CB 3.41Å; N145-F148 PolarHBondContact O-N 3.44Å; S146-F148 VanDerWaalsContact C-N 3.34Å; F148-L151 PolarHBondContact O-N 2.94Å; F148-T152 PolarHBondContact O-N 3.37Å; F148-T152 PolarHBondContact O-OG1 2.87Å
149Y97.8Very high97.6Very high63 Ų6341.7 Ų41.725%0.24722%0.22CC..Hα-helixtrans-67-41.3176.1-59-58.1000111.5E136 D139 N145 S146 L151 T152 E153E136-Y149 WeakPolarHBondContact CA-OH 3.33Å; D139-Y149 VanDerWaalsContact CB-OH 3.22Å; D139-Y149 WeakPolarHBondContact CB-OH 3.22Å; D139-Y149 WeakPolarHBondContact OD2-CE1 3.32Å; D139-Y149 PolarHBondContact OD2-OH 2.87Å; D139-Y149 VanDerWaalsContact OD2-OH 3.09Å; N145-Y149 WeakPolarHBondContact O-CD2 3.41Å; N145-Y149 PolarHBondContact O-N 3.45Å; S146-Y149 PolarHBondContact O-N 3.38Å; Y149-L151 PolarHBondContact O-N 3.25Å; Y149-T152 PolarHBondContact O-N 3.04Å; Y149-E153 PolarHBondContact O-N 3.39Å
150K97.8Very high97.6Very high92 Ų9241.4 Ų41.440%0.422%0.218SC..Hα-helixtrans-57.9-47.6173.8179.6175.3165.151.40111.2S146 D147 T152 E153 D154S146-K150 WeakPolarHBondContact O-CB 3.37Å; S146-K150 PolarHBondContact O-N 3.5Å; D147-K150 PolarHBondContact O-N 3.26Å; K150-T152 VanDerWaalsContact C-N 3.31Å; K150-T152 PolarHBondContact O-N 3.44Å; K150-E153 PolarHBondContact O-N 3.38Å; K150-D154 WeakPolarHBondContact CG-OD2 3.5Å; K150-D154 IonicContact NZ-OD2 2.82Å; K150-D154 PolarHBondContact NZ-OD2 2.93Å; K150-D154 VanDerWaalsContact O-CB 3.31Å; K150-D154 WeakPolarHBondContact O-CB 3.31Å; K150-D154 PolarHBondContact O-N 3.29Å
151L98.2Very high97.5Very high0 Ų039.8 Ų39.80%021%0.213CC..Hα-helixtrans-56.5-45.5175.1174.871.2000111.9M38 I41 I49 W52 F56 P88 D147 F148 Y149 S155M38-L151 HydrophobicContact CE-CD2 4.3Å; I41-L151 HydrophobicContact CD1-CD2 4.23Å; I49-L151 HydrophobicContact CB-CD2 4.34Å; I49-L151 HydrophobicContact CG1-CD2 4.03Å; I49-L151 HydrophobicContact CG2-CB 4.29Å; I49-L151 HydrophobicContact CG2-CD2 4.25Å; W52-L151 HydrophobicContact CB-CD1 3.41Å; W52-L151 VanDerWaalsContact CB-CD1 3.41Å; W52-L151 HydrophobicContact CG-CD1 4.35Å; F56-L151 HydrophobicContact CD2-CD1 4.29Å; F56-L151 HydrophobicContact CE2-CD1 3.72Å; P88-L151 HydrophobicContact CB-CD1 4.37Å; D147-L151 WeakPolarHBondContact O-CB 3.46Å; D147-L151 PolarHBondContact O-N 3.13Å; F148-L151 PolarHBondContact O-N 2.94Å; Y149-L151 PolarHBondContact O-N 3.25Å; L151-S155 WeakPolarHBondContact O-CB 3.44Å; L151-S155 PolarHBondContact O-N 3.37Å; L151-S155 PolarHBondContact O-OG 3.01Å
152T98.1Very high97.4Very high12 Ų1243.6 Ų43.67%0.07423%0.227CC..Hα-helixtrans-64.1-44.6-178.8-59.70000111.3V123 F148 Y149 K150 S155 L156V123-T152 HydrophobicContact CG1-CG2 3.77Å; F148-T152 PolarHBondContact O-N 3.37Å; F148-T152 PolarHBondContact O-OG1 2.87Å; Y149-T152 PolarHBondContact O-N 3.04Å; K150-T152 VanDerWaalsContact C-N 3.31Å; K150-T152 PolarHBondContact O-N 3.44Å; T152-S155 PolarHBondContact O-OG 3.49Å; T152-L156 WeakPolarHBondContact O-CG 3.35Å; T152-L156 PolarHBondContact O-N 3.42Å
153E97.6Very high97Very high70 Ų7049.3 Ų49.333%0.32726%0.258SS..Hα-helixtrans-67.9-48.6177.5-72.1-175.8-170.700112.3Y149 K150 S155 L156 K157 F167Y149-E153 PolarHBondContact O-N 3.39Å; K150-E153 PolarHBondContact O-N 3.38Å; E153-S155 VanDerWaalsContact C-N 3.35Å; E153-S155 PolarHBondContact O-N 3.25Å; E153-L156 PolarHBondContact O-N 3.24Å; E153-K157 WeakPolarHBondContact O-CG 3.35Å; E153-K157 PolarHBondContact O-N 2.84Å; E153-F167 HydrophobicContact CB-CE2 3.76Å; E153-F167 HydrophobicContact CB-CZ 3.81Å; E153-F167 HydrophobicContact CG-CD2 4.28Å; E153-F167 HydrophobicContact CG-CE2 3.7Å; E153-F167 HydrophobicContact CG-CZ 4.01Å
154D97.6Very high96.7Very high28 Ų2853.6 Ų53.615%0.1527%0.269CS..Hα-helixtrans-68-35-176.8-72.3-8.1000111.6Q53 K150 L156 K157 F158Q53-D154 PolarHBondContact NE2-OD2 2.89Å; K150-D154 WeakPolarHBondContact CG-OD2 3.5Å; K150-D154 IonicContact NZ-OD2 2.82Å; K150-D154 PolarHBondContact NZ-OD2 2.93Å; K150-D154 VanDerWaalsContact O-CB 3.31Å; K150-D154 WeakPolarHBondContact O-CB 3.31Å; K150-D154 PolarHBondContact O-N 3.29Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 2.93Å; D154-K157 PolarHBondContact O-N 2.93Å; D154-K157 IonicContact OD1-NZ 3.41Å; D154-K157 PolarHBondContact OD1-NZ 3.33Å; D154-F158 VanDerWaalsContact O-CB 3.28Å; D154-F158 WeakPolarHBondContact O-CB 3.44Å; D154-F158 PolarHBondContact O-N 3.13Å
155S98Very high96.6Very high0 Ų053.9 Ų53.90%027%0.271CS..Hα-helixtrans-65.5-35.7173.363.50000113.3F56 L151 T152 E153 A159F56-S155 VanDerWaalsContact CZ-CA 3.44Å; L151-S155 WeakPolarHBondContact O-CB 3.44Å; L151-S155 PolarHBondContact O-N 3.37Å; L151-S155 PolarHBondContact O-OG 3.01Å; T152-S155 PolarHBondContact O-OG 3.49Å; E153-S155 VanDerWaalsContact C-N 3.35Å; E153-S155 PolarHBondContact O-N 3.25Å; S155-A159 WeakPolarHBondContact O-CB 3.39Å; S155-A159 PolarHBondContact O-N 2.98Å
156L98.3Very high96.7Very high1 Ų154.8 Ų54.81%0.00528%0.275CS..Hα-helixtrans-70.6-44.1174.1-75.3171.8000111.5P16 V87 L124 T152 E153 D154 F158 A159 F160 F167P16-L156 HydrophobicContact CG-CD2 4.22Å; V87-L156 HydrophobicContact CG1-CD2 4.09Å; V87-L156 HydrophobicContact CG1-CG 4.45Å; L124-L156 HydrophobicContact CD1-CD1 3.36Å; L124-L156 HydrophobicContact CG-CD1 4.24Å; T152-L156 WeakPolarHBondContact O-CG 3.35Å; T152-L156 PolarHBondContact O-N 3.42Å; E153-L156 PolarHBondContact O-N 3.24Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 2.93Å; L156-F158 VanDerWaalsContact C-N 3.31Å; L156-F158 PolarHBondContact O-N 2.88Å; L156-A159 PolarHBondContact O-N 3.42Å; L156-F160 HydrophobicContact CB-CD2 4.41Å; L156-F160 HydrophobicContact CB-CE2 4.18Å; L156-F160 HydrophobicContact CD2-CE2 4.17Å; L156-F160 HydrophobicContact CD2-CZ 4.29Å; L156-F160 WeakPolarHBondContact O-CB 3.2Å; L156-F160 WeakPolarHBondContact O-CD2 3.48Å; L156-F160 VanDerWaalsContact O-CG 3.24Å; L156-F160 WeakPolarHBondContact O-CG 3.22Å; L156-F160 PolarHBondContact O-N 3.08Å; L156-F167 HydrophobicContact CB-CE1 4.16Å; L156-F167 HydrophobicContact CD1-CE1 4.27Å
157K97.8Very high96.7Very high43 Ų4352 Ų5219%0.18725%0.253CS..Hα-helixtrans-55.3-47.4172.4-79176-164.3161.90111.6E153 D154 F160 Q161 K162 L165 F167E153-K157 WeakPolarHBondContact O-CG 3.35Å; E153-K157 PolarHBondContact O-N 2.84Å; D154-K157 PolarHBondContact O-N 2.93Å; D154-K157 IonicContact OD1-NZ 3.41Å; D154-K157 PolarHBondContact OD1-NZ 3.33Å; K157-F160 CarbonylContact O-C 3.51Å; K157-F160 PolarHBondContact O-N 3.08Å; K157-Q161 PolarHBondContact O-N 2.84Å; K157-K162 WeakPolarHBondContact CB-O 3.41Å; K157-K162 PolarHBondContact O-N 2.91Å; K157-L165 HydrophobicContact CG-CB 4.25Å; K157-F167 HydrophobicContact CG-CZ 4.02Å
158F97.1Very high96.7Very high38 Ų3851.1 Ų51.117%0.16725%0.248CC..Hα-helixtrans-60.9-49.6177.2-178.3-102.1000111.7F56 A59 F92 D154 L156 F160 Q161F56-F158 HydrophobicContact CD1-CB 3.67Å; F56-F158 AromaticContact CD1-CD1 3.91Å; F56-F158 HydrophobicContact CD1-CD1 3.91Å; F56-F158 HydrophobicContact CD1-CD2 4.02Å; F56-F158 AromaticContact CD1-CG 3.58Å; F56-F158 HydrophobicContact CD1-CG 3.58Å; F56-F158 HydrophobicContact CE1-CB 3.69Å; F56-F158 AromaticContact CE1-CD1 3.55Å; F56-F158 HydrophobicContact CE1-CD1 3.55Å; F56-F158 HydrophobicContact CE1-CD2 4.48Å; F56-F158 HydrophobicContact CE1-CE1 4.32Å; F56-F158 AromaticContact CE1-CG 3.64Å; F56-F158 HydrophobicContact CE1-CG 3.64Å; A59-F158 HydrophobicContact CB-CD2 4.34Å; A59-F158 HydrophobicContact CB-CE2 3.54Å; A59-F158 HydrophobicContact CB-CZ 4.1Å; F92-F158 AromaticContact CD1-CE1 3.66Å; F92-F158 HydrophobicContact CD1-CE1 3.66Å; F92-F158 AromaticContact CD1-CZ 3.73Å; F92-F158 HydrophobicContact CD1-CZ 3.73Å; F92-F158 HydrophobicContact CD2-CD1 4.29Å; F92-F158 AromaticContact CD2-CE1 3.75Å; F92-F158 HydrophobicContact CD2-CE1 3.75Å; F92-F158 AromaticContact CE1-CE1 3.63Å; F92-F158 HydrophobicContact CE1-CE1 3.63Å; F92-F158 HydrophobicContact CE1-CE2 4.28Å; F92-F158 AromaticContact CE1-CZ 3.4Å; F92-F158 HydrophobicContact CE1-CZ 3.4Å; F92-F158 HydrophobicContact CE2-CD1 4.13Å; F92-F158 AromaticContact CE2-CE1 3.75Å; F92-F158 HydrophobicContact CE2-CE1 3.75Å; F92-F158 HydrophobicContact CE2-CZ 4.26Å; F92-F158 AromaticContact CG-CE1 3.73Å; F92-F158 HydrophobicContact CG-CE1 3.73Å; F92-F158 HydrophobicContact CG-CZ 4.28Å; F92-F158 HydrophobicContact CZ-CD1 4.31Å; F92-F158 AromaticContact CZ-CE1 3.68Å; F92-F158 HydrophobicContact CZ-CE1 3.68Å; F92-F158 HydrophobicContact CZ-CE2 4.34Å; F92-F158 AromaticContact CZ-CZ 3.7Å; F92-F158 HydrophobicContact CZ-CZ 3.7Å; D154-F158 VanDerWaalsContact O-CB 3.28Å; D154-F158 WeakPolarHBondContact O-CB 3.44Å; D154-F158 PolarHBondContact O-N 3.13Å; L156-F158 VanDerWaalsContact C-N 3.31Å; L156-F158 PolarHBondContact O-N 2.88Å; F158-F160 VanDerWaalsContact C-N 3.28Å; F158-F160 PolarHBondContact O-N 2.87Å; F158-Q161 PolarHBondContact O-N 3.37Å
159A97.8Very high96.7Very high4 Ų453.3 Ų53.33%0.03326%0.261CS..Hα-helixtrans-57.8-41.9176.800000111.8L15 S155 L156 Q161 Y180L15-A159 HydrophobicContact CD2-CB 4.19Å; S155-A159 WeakPolarHBondContact O-CB 3.39Å; S155-A159 PolarHBondContact O-N 2.98Å; L156-A159 PolarHBondContact O-N 3.42Å; A159-Q161 VanDerWaalsContact C-N 3.28Å; A159-Q161 PolarHBondContact O-N 3.45Å; A159-Y180 HydrophobicContact CB-CD2 4.37Å; A159-Y180 HydrophobicContact CB-CE2 4Å; A159-Y180 WeakPolarHBondContact O-CD2 3.43Å
160F98Very high96.8Very high18 Ų1852.7 Ų52.78%0.07926%0.261CS..Hα-helixtrans-79-5.6178.2-61.2-39.6000114.6L15 L156 K157 F158 K162 L165 L173 C176L15-F160 HydrophobicContact CD1-CE1 3.7Å; L15-F160 HydrophobicContact CD1-CZ 4.3Å; L15-F160 HydrophobicContact CD2-CE1 4.12Å; L15-F160 HydrophobicContact CD2-CZ 4.49Å; L156-F160 HydrophobicContact CB-CD2 4.41Å; L156-F160 HydrophobicContact CB-CE2 4.18Å; L156-F160 HydrophobicContact CD2-CE2 4.17Å; L156-F160 HydrophobicContact CD2-CZ 4.29Å; L156-F160 WeakPolarHBondContact O-CB 3.2Å; L156-F160 WeakPolarHBondContact O-CD2 3.48Å; L156-F160 VanDerWaalsContact O-CG 3.24Å; L156-F160 WeakPolarHBondContact O-CG 3.22Å; L156-F160 PolarHBondContact O-N 3.08Å; K157-F160 CarbonylContact O-C 3.51Å; K157-F160 PolarHBondContact O-N 3.08Å; F158-F160 VanDerWaalsContact C-N 3.28Å; F158-F160 PolarHBondContact O-N 2.87Å; F160-K162 VanDerWaalsContact C-N 3.34Å; F160-K162 HydrophobicContact CB-CB 4.49Å; F160-K162 HydrophobicContact CB-CG 4.13Å; F160-K162 WeakPolarHBondContact O-CG 3.5Å; F160-L165 HydrophobicContact CD2-CD2 3.64Å; F160-L165 HydrophobicContact CE2-CD2 4.05Å; F160-L173 HydrophobicContact CE2-CD2 4.49Å; F160-C176 HydrophobicContact CB-CB 4.31Å; F160-C176 HydrophobicContact CD1-CB 3.64Å; F160-C176 HydrophobicContact CD2-CB 3.99Å; F160-C176 HydrophobicContact CE1-CB 3.81Å; F160-C176 HydrophobicContact CE2-CB 4.16Å; F160-C176 HydrophobicContact CG-CB 3.73Å; F160-C176 HydrophobicContact CZ-CB 4.08Å
161Q95.6Very high96.8Very high115 Ų11552.9 Ų52.954%0.53726%0.264SS..THydrogen-bonded Turntrans54.349-174.9-591713000111.8K157 F158 A159 L183K157-Q161 PolarHBondContact O-N 2.84Å; F158-Q161 PolarHBondContact O-N 3.37Å; A159-Q161 VanDerWaalsContact C-N 3.28Å; A159-Q161 PolarHBondContact O-N 3.45Å; Q161-L183 VanDerWaalsContact NE2-CD2 3.31Å
162K94.4Very high96.8Very high108 Ų10854.9 Ų54.947%0.4728%0.276SS..  trans-131.7122.3-178-67.3-73-176.5162.70110.3K157 F160 L165K157-K162 WeakPolarHBondContact CB-O 3.41Å; K157-K162 PolarHBondContact O-N 2.91Å; F160-K162 VanDerWaalsContact C-N 3.34Å; F160-K162 HydrophobicContact CB-CB 4.49Å; F160-K162 HydrophobicContact CB-CG 4.13Å; F160-K162 WeakPolarHBondContact O-CG 3.5Å; K162-L165 HydrophobicContact CB-CD1 4.13Å; K162-L165 HydrophobicContact CG-CD1 4.05Å
163D88.3Confident96.8Very high142 Ų14254.3 Ų54.376%0.75927%0.272SS*.SBendtrans-71.2-37.1175.1-60.5-31.3000111.9
164D90.3Very high96.9Very high140 Ų14051.4 Ų51.475%0.74926%0.259SS*.SBendtrans-122.8135.6175.9-170.318.1000110.1
165L95.6Very high96.9Very high11 Ų1155.3 Ų55.36%0.05828%0.276CS..  trans-146.4119.1-177.9-160.876.1000109.4K157 F160 K162 F167 V172 L173K157-L165 HydrophobicContact CG-CB 4.25Å; F160-L165 HydrophobicContact CD2-CD2 3.64Å; F160-L165 HydrophobicContact CE2-CD2 4.05Å; K162-L165 HydrophobicContact CB-CD1 4.13Å; K162-L165 HydrophobicContact CG-CD1 4.05Å; L165-F167 HydrophobicContact CB-CZ 4.46Å; L165-F167 HydrophobicContact CD2-CD1 3.91Å; L165-F167 HydrophobicContact CD2-CE1 3.57Å; L165-F167 HydrophobicContact CD2-CZ 4.14Å; L165-F167 PolarHBondContact O-N 2.94Å; L165-V172 HydrophobicContact CD1-CG1 3.55Å; L165-V172 HydrophobicContact CG-CG1 4.14Å; L165-L173 HydrophobicContact CD2-CD2 3.97Å
166N97.7Very high97Very high92 Ų9255.9 Ų55.949%0.49228%0.28SS..  trans-75.293.2171.6-175.6-3.9000109.8D168 D169N166-D168 PolarHBondContact O-N 2.88Å; N166-D168 PolarHBondContact OD1-N 3.49Å; N166-D168 VanDerWaalsContact OD1-N 3.08Å; N166-D169 HydrophobicContact CB-CB 4.18Å; N166-D169 PolarHBondContact O-N 2.74Å; N166-D169 VanDerWaalsContact O-N 3.12Å
167F97.9Very high97Very high25 Ų2556.1 Ų56.111%0.1128%0.281CS..THydrogen-bonded Turntrans-63.6-17.4179.7-68.7-70.9000114R120 L124 E153 L156 K157 L165 L173R120-F167 PolarHBondContact NH1-O 3.07Å; R120-F167 PolarHBondContact NH2-O 3.49Å; L124-F167 HydrophobicContact CD1-CD1 3.57Å; L124-F167 HydrophobicContact CD1-CE1 3.95Å; L124-F167 HydrophobicContact CD1-CG 4.46Å; L124-F167 HydrophobicContact CD2-CB 4.38Å; L124-F167 HydrophobicContact CD2-CD1 4.05Å; L124-F167 HydrophobicContact CD2-CG 4.22Å; L124-F167 HydrophobicContact CG-CD1 4.47Å; E153-F167 HydrophobicContact CB-CE2 3.76Å; E153-F167 HydrophobicContact CB-CZ 3.81Å; E153-F167 HydrophobicContact CG-CD2 4.28Å; E153-F167 HydrophobicContact CG-CE2 3.7Å; E153-F167 HydrophobicContact CG-CZ 4.01Å; L156-F167 HydrophobicContact CB-CE1 4.16Å; L156-F167 HydrophobicContact CD1-CE1 4.27Å; K157-F167 HydrophobicContact CG-CZ 4.02Å; L165-F167 HydrophobicContact CB-CZ 4.46Å; L165-F167 HydrophobicContact CD2-CD1 3.91Å; L165-F167 HydrophobicContact CD2-CE1 3.57Å; L165-F167 HydrophobicContact CD2-CZ 4.14Å; L165-F167 PolarHBondContact O-N 2.94Å; F167-L173 HydrophobicContact CD1-CD2 4.26Å
168D98.4Very high97Very high55 Ų5557.1 Ų57.129%0.29429%0.288SS..THydrogen-bonded Turntrans-82.9-13.4176.4-80-25.6000113.6R120 K126 S127 N166 D170R120-D168 PolarHBondContact NH2-O 3.35Å; K126-D168 WeakPolarHBondContact CA-OD1 3.38Å; K126-D168 WeakPolarHBondContact CE-O 3.03Å; S127-D168 WeakPolarHBondContact CB-OD2 3.05Å; S127-D168 PolarHBondContact N-OD1 2.83Å; S127-D168 PolarHBondContact OG-OD2 3.39Å; N166-D168 PolarHBondContact O-N 2.88Å; N166-D168 PolarHBondContact OD1-N 3.49Å; N166-D168 VanDerWaalsContact OD1-N 3.08Å; D168-D170 PolarHBondContact O-N 3.1Å
169D98.5Very high97.1Very high63 Ų6359.6 Ų59.634%0.33730%0.301SS..  trans-87.9110.6179.8-166.8-34.2000111N166 Q171 V172 L173N166-D169 HydrophobicContact CB-CB 4.18Å; N166-D169 PolarHBondContact O-N 2.74Å; N166-D169 VanDerWaalsContact O-N 3.12Å; D169-Q171 VanDerWaalsContact C-N 3.32Å; D169-Q171 PolarHBondContact O-N 3.25Å; D169-Q171 WeakPolarHBondContact OD1-CB 3.2Å; D169-Q171 PolarHBondContact OD1-N 3.43Å; D169-V172 HydrophobicContact CB-CB 3.96Å; D169-V172 HydrophobicContact CB-CG2 3.75Å; D169-V172 PolarHBondContact O-N 2.74Å; D169-V172 PolarHBondContact OD1-N 2.83Å; D169-L173 WeakPolarHBondContact O-CG 3.28Å; D169-L173 PolarHBondContact O-N 3.03Å
170D98.8Very high97.2Very high49 Ų4959.9 Ų59.926%0.26230%0.301SS..Hα-helixtrans-65.7-34.3179.7-71.8-22.7000112.5L116 R120 K126 D168 L173 L174L116-D170 HydrophobicContact CD2-CB 3.7Å; R120-D170 IonicContact CZ-OD1 2.68Å; R120-D170 IonicContact NE-OD1 2.65Å; R120-D170 PolarHBondContact NE-OD1 3.27Å; R120-D170 IonicContact NH2-OD1 3.39Å; R120-D170 PolarHBondContact NH2-OD1 3.49Å; K126-D170 WeakPolarHBondContact CE-OD1 3.24Å; K126-D170 WeakPolarHBondContact CE-OD2 3.4Å; K126-D170 IonicContact NZ-OD1 2.83Å; K126-D170 IonicContact NZ-OD2 3.21Å; K126-D170 PolarHBondContact NZ-OD2 2.81Å; D168-D170 PolarHBondContact O-N 3.1Å; D170-L173 PolarHBondContact O-N 3.44Å; D170-L174 WeakPolarHBondContact O-CD1 3.17Å; D170-L174 WeakPolarHBondContact O-CG 3.37Å; D170-L174 PolarHBondContact O-N 3.24Å
171Q98.7Very high97.2Very high97 Ų9759.6 Ų59.645%0.45330%0.3SS..Hα-helixtrans-69-42.2-179.3-177.160.329.400110.4D169 L173 L174 E175D169-Q171 VanDerWaalsContact C-N 3.32Å; D169-Q171 PolarHBondContact O-N 3.25Å; D169-Q171 WeakPolarHBondContact OD1-CB 3.2Å; D169-Q171 PolarHBondContact OD1-N 3.43Å; Q171-L173 VanDerWaalsContact C-N 3.34Å; Q171-L173 PolarHBondContact O-N 2.87Å; Q171-L174 PolarHBondContact O-N 3.47Å; Q171-E175 PolarHBondContact NE2-OE1 2.72Å; Q171-E175 WeakPolarHBondContact O-CG 3.41Å; Q171-E175 PolarHBondContact O-N 3.45Å
172V98.5Very high97.4Very high41 Ų4158.9 Ų58.925%0.24829%0.292CS..Hα-helixtrans-57.4-46.9174.3171.60000110.9L165 D169 L174 E175 C176L165-V172 HydrophobicContact CD1-CG1 3.55Å; L165-V172 HydrophobicContact CG-CG1 4.14Å; D169-V172 HydrophobicContact CB-CB 3.96Å; D169-V172 HydrophobicContact CB-CG2 3.75Å; D169-V172 PolarHBondContact O-N 2.74Å; D169-V172 PolarHBondContact OD1-N 2.83Å; V172-L174 VanDerWaalsContact C-N 3.35Å; V172-L174 PolarHBondContact O-N 3.47Å; V172-E175 PolarHBondContact O-N 3.32Å; V172-C176 WeakPolarHBondContact O-CB 3.26Å; V172-C176 PolarHBondContact O-N 2.99Å; V172-C176 PolarHBondContact O-SG 2.87Å
173L98.6Very high97.6Very high1 Ų155.7 Ų55.71%0.00528%0.28CS..Hα-helixtrans-67.3-33.3-179.9-65.9-177.2000113.3L116 L119 F160 L165 F167 D169 D170 Q171 Y177L116-L173 HydrophobicContact CD1-CB 4.05Å; L116-L173 HydrophobicContact CD1-CD1 4Å; L119-L173 HydrophobicContact CD2-CD1 4.05Å; F160-L173 HydrophobicContact CE2-CD2 4.49Å; L165-L173 HydrophobicContact CD2-CD2 3.97Å; F167-L173 HydrophobicContact CD1-CD2 4.26Å; D169-L173 WeakPolarHBondContact O-CG 3.28Å; D169-L173 PolarHBondContact O-N 3.03Å; D170-L173 PolarHBondContact O-N 3.44Å; Q171-L173 VanDerWaalsContact C-N 3.34Å; Q171-L173 PolarHBondContact O-N 2.87Å; L173-Y177 WeakPolarHBondContact O-CB 3.14Å; L173-Y177 PolarHBondContact O-N 3.41Å
174L98.8Very high98.1Very high8 Ų848.9 Ų48.94%0.04224%0.244CC..Hα-helixtrans-68.2-44175.6-71.8166.1000111.5K112 Y113 L116 D170 Q171 V172 Y177 D178K112-L174 HydrophobicContact CB-CD2 3.95Å; K112-L174 HydrophobicContact CD-CD2 4.07Å; K112-L174 HydrophobicContact CG-CD2 3.8Å; K112-L174 WeakPolarHBondContact O-CD2 3.38Å; Y113-L174 HydrophobicContact CD1-CD1 4.08Å; Y113-L174 HydrophobicContact CD1-CD2 4.18Å; Y113-L174 HydrophobicContact CE1-CD1 3.66Å; Y113-L174 HydrophobicContact CE1-CD2 4.35Å; L116-L174 HydrophobicContact CB-CD2 4.04Å; L116-L174 HydrophobicContact CD2-CD1 4.01Å; L116-L174 HydrophobicContact CD2-CD2 4.02Å; L116-L174 HydrophobicContact CD2-CG 3.9Å; D170-L174 WeakPolarHBondContact O-CD1 3.17Å; D170-L174 WeakPolarHBondContact O-CG 3.37Å; D170-L174 PolarHBondContact O-N 3.24Å; Q171-L174 PolarHBondContact O-N 3.47Å; V172-L174 VanDerWaalsContact C-N 3.35Å; V172-L174 PolarHBondContact O-N 3.47Å; L174-Y177 PolarHBondContact O-N 2.98Å; L174-D178 PolarHBondContact O-N 2.92Å
175E98.6Very high98.5Very high110 Ų11046.7 Ų46.751%0.51423%0.229SC..Hα-helixtrans-64.5-45177.1-72.7173.8-168.500111.5Q171 V172 Y177 D178 E179Q171-E175 PolarHBondContact NE2-OE1 2.72Å; Q171-E175 WeakPolarHBondContact O-CG 3.41Å; Q171-E175 PolarHBondContact O-N 3.45Å; V172-E175 PolarHBondContact O-N 3.32Å; E175-Y177 VanDerWaalsContact C-N 3.3Å; E175-Y177 PolarHBondContact O-N 3.23Å; E175-D178 PolarHBondContact O-N 3.5Å; E175-E179 VanDerWaalsContact O-CB 3.29Å; E175-E179 WeakPolarHBondContact O-CB 3.2Å; E175-E179 PolarHBondContact O-N 3.29Å
176C98.7Very high98.6Very high12 Ų1252 Ų528%0.08125%0.254CS..Hα-helixtrans-60.4-37.7174.8-79.10000112.7F160 V172 Y180F160-C176 HydrophobicContact CB-CB 4.31Å; F160-C176 HydrophobicContact CD1-CB 3.64Å; F160-C176 HydrophobicContact CD2-CB 3.99Å; F160-C176 HydrophobicContact CE1-CB 3.81Å; F160-C176 HydrophobicContact CE2-CB 4.16Å; F160-C176 HydrophobicContact CG-CB 3.73Å; F160-C176 HydrophobicContact CZ-CB 4.08Å; V172-C176 WeakPolarHBondContact O-CB 3.26Å; V172-C176 PolarHBondContact O-N 2.99Å; V172-C176 PolarHBondContact O-SG 2.87Å; C176-Y180 WeakPolarHBondContact O-CB 3.44Å; C176-Y180 PolarHBondContact O-N 2.93Å
177Y98.8Very high98.6Very high6 Ų650.3 Ų50.32%0.02425%0.247CC..Hα-helixtrans-64.8-49.7175.6179.2-105.7000111.9L15 T18 R110 K112 R115 L173 L174 E175 E179 N181L15-Y177 HydrophobicContact CD1-CD2 3.59Å; L15-Y177 HydrophobicContact CD1-CE2 4.12Å; T18-Y177 HydrophobicContact CG2-CE2 3.9Å; R110-Y177 PolarHBondContact N-OH 3.49Å; R110-Y177 VanDerWaalsContact N-OH 3.12Å; R110-Y177 PolarHBondContact O-OH 3.25Å; K112-Y177 HydrophobicContact CB-CD1 3.61Å; K112-Y177 HydrophobicContact CB-CE1 3.81Å; R115-Y177 HydrophobicContact CG-CD2 4.39Å; R115-Y177 HydrophobicContact CG-CE2 3.99Å; L173-Y177 WeakPolarHBondContact O-CB 3.14Å; L173-Y177 PolarHBondContact O-N 3.41Å; L174-Y177 PolarHBondContact O-N 2.98Å; E175-Y177 VanDerWaalsContact C-N 3.3Å; E175-Y177 PolarHBondContact O-N 3.23Å; Y177-E179 VanDerWaalsContact C-N 3.34Å; Y177-E179 PolarHBondContact O-N 3.22Å; Y177-N181 WeakPolarHBondContact CD1-ND2 3.28Å; Y177-N181 WeakPolarHBondContact CE1-ND2 3.29Å; Y177-N181 VanDerWaalsContact CE2-ND2 3.26Å; Y177-N181 WeakPolarHBondContact CE2-ND2 3.49Å; Y177-N181 VanDerWaalsContact O-CG 3.25Å; Y177-N181 PolarHBondContact O-N 2.99Å; Y177-N181 VanDerWaalsContact O-N 3.14Å; Y177-N181 PolarHBondContact O-ND2 2.91Å
178D98.8Very high98.7Very high64 Ų6449.3 Ų49.334%0.34224%0.243SC..Hα-helixtrans-61.9-45.1-179.3-72.3-21.5000110.7K112 L174 E175 N181 R182K112-D178 WeakPolarHBondContact CD-OD1 3.24Å; K112-D178 VanDerWaalsContact CD-OD2 3.28Å; K112-D178 WeakPolarHBondContact CD-OD2 3.37Å; K112-D178 IonicContact NZ-OD2 2.8Å; K112-D178 PolarHBondContact NZ-OD2 3.47Å; L174-D178 PolarHBondContact O-N 2.92Å; E175-D178 PolarHBondContact O-N 3.5Å; D178-N181 PolarHBondContact O-N 2.83Å; D178-R182 WeakPolarHBondContact O-CB 3.36Å; D178-R182 PolarHBondContact O-N 3.33Å
179E98.7Very high98.7Very high91 Ų9149.8 Ų49.843%0.42525%0.249SC..Hα-helixtrans-66.3-44.3-179.5179.157.7-169.400112.5E175 Y177 N181 R182 L183E175-E179 VanDerWaalsContact O-CB 3.29Å; E175-E179 WeakPolarHBondContact O-CB 3.2Å; E175-E179 PolarHBondContact O-N 3.29Å; Y177-E179 VanDerWaalsContact C-N 3.34Å; Y177-E179 PolarHBondContact O-N 3.22Å; E179-N181 PolarHBondContact O-N 3.39Å; E179-R182 VanDerWaalsContact CD-NH2 3.32Å; E179-R182 PolarHBondContact O-N 3.36Å; E179-R182 IonicContact OE1-CZ 3.54Å; E179-R182 IonicContact OE1-NE 3.63Å; E179-R182 IonicContact OE1-NH2 2.63Å; E179-R182 PolarHBondContact OE1-NH2 3Å; E179-R182 IonicContact OE2-CZ 2.66Å; E179-R182 IonicContact OE2-NE 2.62Å; E179-R182 PolarHBondContact OE2-NE 2.83Å; E179-R182 IonicContact OE2-NH2 3.07Å; E179-R182 PolarHBondContact OE2-NH2 3.45Å; E179-L183 WeakPolarHBondContact O-CB 3.5Å; E179-L183 PolarHBondContact O-N 3.32Å
180Y98.8Very high98.6Very high10 Ų1052.1 Ų52.14%0.03927%0.27CS..Hα-helixtrans-58.6-48.7176.8176.1-87.9000111.5A13 L15 C90 Y93 L107 A159 C176 R182 L183 V184A13-Y180 WeakPolarHBondContact O-CE1 3.5Å; A13-Y180 PolarHBondContact O-OH 3.47Å; L15-Y180 HydrophobicContact CD1-CD1 3.45Å; L15-Y180 VanDerWaalsContact CD1-CD1 3.45Å; L15-Y180 HydrophobicContact CD1-CE1 4.05Å; L15-Y180 HydrophobicContact CD1-CG 3.81Å; L15-Y180 HydrophobicContact CD2-CD1 4.14Å; L15-Y180 HydrophobicContact CD2-CD2 4.47Å; L15-Y180 HydrophobicContact CD2-CE1 4.06Å; L15-Y180 HydrophobicContact CD2-CE2 4.38Å; L15-Y180 HydrophobicContact CD2-CG 4.35Å; L15-Y180 HydrophobicContact CG-CD1 3.56Å; L15-Y180 HydrophobicContact CG-CE1 3.6Å; L15-Y180 HydrophobicContact CG-CG 4.16Å; C90-Y180 PolarHBondContact O-OH 3.47Å; Y93-Y180 HydrophobicContact CE1-CE2 4.39Å; L107-Y180 HydrophobicContact CD1-CE1 4.46Å; A159-Y180 HydrophobicContact CB-CD2 4.37Å; A159-Y180 HydrophobicContact CB-CE2 4Å; A159-Y180 WeakPolarHBondContact O-CD2 3.43Å; C176-Y180 WeakPolarHBondContact O-CB 3.44Å; C176-Y180 PolarHBondContact O-N 2.93Å; Y180-R182 VanDerWaalsContact C-N 3.31Å; Y180-R182 PolarHBondContact O-N 3.03Å; Y180-L183 PolarHBondContact O-N 2.94Å; Y180-V184 HydrophobicContact CD1-CG2 4.13Å; Y180-V184 HydrophobicContact CE1-CG2 3.66Å; Y180-V184 HydrophobicContact CE2-CG2 4.34Å; Y180-V184 WeakPolarHBondContact O-CG2 3.22Å; Y180-V184 PolarHBondContact O-N 2.85Å
181N98.8Very high98.6Very high12 Ų1256 Ų566%0.06429%0.291CS..Hα-helixtrans-64.5-37.7-179.2-65.6-37.8000111.9I109 Y177 D178 E179 Q185I109-N181 HydrophobicContact CG2-CB 4.44Å; Y177-N181 WeakPolarHBondContact CD1-ND2 3.28Å; Y177-N181 WeakPolarHBondContact CE1-ND2 3.29Å; Y177-N181 VanDerWaalsContact CE2-ND2 3.26Å; Y177-N181 WeakPolarHBondContact CE2-ND2 3.49Å; Y177-N181 VanDerWaalsContact O-CG 3.25Å; Y177-N181 PolarHBondContact O-N 2.99Å; Y177-N181 VanDerWaalsContact O-N 3.14Å; Y177-N181 PolarHBondContact O-ND2 2.91Å; D178-N181 PolarHBondContact O-N 2.83Å; E179-N181 PolarHBondContact O-N 3.39Å; N181-Q185 WeakPolarHBondContact O-CG 3.4Å; N181-Q185 PolarHBondContact O-N 3.38Å; N181-Q185 PolarHBondContact O-NE2 3.2Å
182R98.8Very high98.6Very high99 Ų9953.4 Ų53.437%0.37428%0.277SS..Hα-helixtrans-61.7-49.8174.2-174.6-16971.180.39.1110.2D178 E179 Y180 V184 Q185 E186D178-R182 WeakPolarHBondContact O-CB 3.36Å; D178-R182 PolarHBondContact O-N 3.33Å; E179-R182 VanDerWaalsContact CD-NH2 3.32Å; E179-R182 PolarHBondContact O-N 3.36Å; E179-R182 IonicContact OE1-CZ 3.54Å; E179-R182 IonicContact OE1-NE 3.63Å; E179-R182 IonicContact OE1-NH2 2.63Å; E179-R182 PolarHBondContact OE1-NH2 3Å; E179-R182 IonicContact OE2-CZ 2.66Å; E179-R182 IonicContact OE2-NE 2.62Å; E179-R182 PolarHBondContact OE2-NE 2.83Å; E179-R182 IonicContact OE2-NH2 3.07Å; E179-R182 PolarHBondContact OE2-NH2 3.45Å; Y180-R182 VanDerWaalsContact C-N 3.31Å; Y180-R182 PolarHBondContact O-N 3.03Å; R182-V184 PolarHBondContact O-N 3.02Å; R182-Q185 PolarHBondContact O-N 3.19Å; R182-Q185 VanDerWaalsContact O-N 3.15Å; R182-E186 WeakPolarHBondContact CG-OE1 3.43Å; R182-E186 IonicContact CZ-OE1 3.49Å; R182-E186 IonicContact CZ-OE2 2.68Å; R182-E186 IonicContact NH1-OE1 3.63Å; R182-E186 PolarHBondContact NH1-OE1 3.46Å; R182-E186 IonicContact NH1-OE2 3.22Å; R182-E186 PolarHBondContact NH1-OE2 3.08Å; R182-E186 IonicContact NH2-OE2 3.77Å; R182-E186 WeakPolarHBondContact O-CG 3.41Å; R182-E186 PolarHBondContact O-N 3.37Å
183L98.6Very high98.6Very high41 Ų4152.4 Ų52.422%0.21527%0.27CS..Hα-helixtrans-62.6-39.8-177.7-174.264.3000112.4Q161 E179 Y180 Q185 E186 T187Q161-L183 VanDerWaalsContact NE2-CD2 3.31Å; E179-L183 WeakPolarHBondContact O-CB 3.5Å; E179-L183 PolarHBondContact O-N 3.32Å; Y180-L183 PolarHBondContact O-N 2.94Å; L183-Q185 VanDerWaalsContact C-N 3.35Å; L183-Q185 PolarHBondContact O-N 3Å; L183-E186 PolarHBondContact O-N 3.38Å; L183-T187 VanDerWaalsContact O-CB 3.22Å; L183-T187 WeakPolarHBondContact O-CB 3.27Å; L183-T187 PolarHBondContact O-N 2.9Å; L183-T187 PolarHBondContact O-OG1 3.27Å
184V98.8Very high98.6Very high0 Ų053.9 Ų53.90%028%0.278CS..Hα-helixtrans-60-46.4174.4174.50000110.7A13 Y93 L107 Y180 R182 E186 T187 V188 L193A13-V184 HydrophobicContact CB-CG1 3.95Å; A13-V184 HydrophobicContact CB-CG2 4.3Å; Y93-V184 HydrophobicContact CD1-CG2 4.36Å; Y93-V184 HydrophobicContact CE1-CG2 3.84Å; Y93-V184 HydrophobicContact CE2-CG1 4.4Å; Y93-V184 HydrophobicContact CE2-CG2 4.16Å; L107-V184 HydrophobicContact CB-CG1 4.16Å; L107-V184 HydrophobicContact CD1-CB 4.26Å; L107-V184 HydrophobicContact CD1-CG1 4.07Å; L107-V184 HydrophobicContact CD1-CG2 4.37Å; L107-V184 HydrophobicContact CD2-CB 4.01Å; L107-V184 HydrophobicContact CD2-CG1 3.9Å; L107-V184 HydrophobicContact CG-CG1 4.24Å; Y180-V184 HydrophobicContact CD1-CG2 4.13Å; Y180-V184 HydrophobicContact CE1-CG2 3.66Å; Y180-V184 HydrophobicContact CE2-CG2 4.34Å; Y180-V184 WeakPolarHBondContact O-CG2 3.22Å; Y180-V184 PolarHBondContact O-N 2.85Å; R182-V184 PolarHBondContact O-N 3.02Å; V184-E186 VanDerWaalsContact C-N 3.27Å; V184-E186 PolarHBondContact O-N 3.19Å; V184-T187 PolarHBondContact O-N 3.47Å; V184-V188 HydrophobicContact CG1-CG2 4.02Å; V184-V188 VanDerWaalsContact O-CG2 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.47Å; V184-V188 PolarHBondContact O-N 2.89Å; V184-L193 HydrophobicContact CG1-CD1 4.45Å
185Q98.8Very high98.6Very high94 Ų9455.5 Ų55.544%0.43929%0.288SS..Hα-helixtrans-64.4-30.9179.4-72.7168.792.500113.2L107 N181 R182 L183 L193 V195L107-Q185 HydrophobicContact CD2-CG 3.73Å; N181-Q185 WeakPolarHBondContact O-CG 3.4Å; N181-Q185 PolarHBondContact O-N 3.38Å; N181-Q185 PolarHBondContact O-NE2 3.2Å; R182-Q185 PolarHBondContact O-N 3.19Å; R182-Q185 VanDerWaalsContact O-N 3.15Å; L183-Q185 VanDerWaalsContact C-N 3.35Å; L183-Q185 PolarHBondContact O-N 3Å; Q185-L193 HydrophobicContact CB-CD2 4.43Å; Q185-L193 HydrophobicContact CG-CD2 4.16Å; Q185-V195 HydrophobicContact CG-CG2 3.95Å
186E98.6Very high98.6Very high121 Ų12150.6 Ų50.657%0.56527%0.266SS*.Hα-helixtrans-81-32.1176.8-72177.3-174.300113.3R182 L183 V184R182-E186 WeakPolarHBondContact CG-OE1 3.43Å; R182-E186 IonicContact CZ-OE1 3.49Å; R182-E186 IonicContact CZ-OE2 2.68Å; R182-E186 IonicContact NH1-OE1 3.63Å; R182-E186 PolarHBondContact NH1-OE1 3.46Å; R182-E186 IonicContact NH1-OE2 3.22Å; R182-E186 PolarHBondContact NH1-OE2 3.08Å; R182-E186 IonicContact NH2-OE2 3.77Å; R182-E186 WeakPolarHBondContact O-CG 3.41Å; R182-E186 PolarHBondContact O-N 3.37Å; L183-E186 PolarHBondContact O-N 3.38Å; V184-E186 VanDerWaalsContact C-N 3.27Å; V184-E186 PolarHBondContact O-N 3.19Å
187T98.6Very high98.6Very high58 Ų5857.8 Ų57.836%0.35629%0.291SS..Hα-helixtrans-82.4-39.3-174.6-57.50000111.8Y93 K94 L183 V184Y93-T187 HydrophobicContact CE2-CG2 4.13Å; K94-T187 HydrophobicContact CD-CG2 4.05Å; K94-T187 HydrophobicContact CG-CG2 3.97Å; L183-T187 VanDerWaalsContact O-CB 3.22Å; L183-T187 WeakPolarHBondContact O-CB 3.27Å; L183-T187 PolarHBondContact O-N 2.9Å; L183-T187 PolarHBondContact O-OG1 3.27Å; V184-T187 PolarHBondContact O-N 3.47Å
188V98.7Very high98.4Very high4 Ų461.5 Ų61.52%0.02431%0.311CS..SBendtrans-86.6127.1-174.4-172.30000110.1Y93 M97 V105 V184 S190 R192 L193Y93-V188 HydrophobicContact CD2-CG2 4.03Å; Y93-V188 HydrophobicContact CE2-CG2 3.91Å; M97-V188 HydrophobicContact CE-CB 4.44Å; M97-V188 HydrophobicContact CE-CG1 3.94Å; M97-V188 HydrophobicContact CE-CG2 4.4Å; M97-V188 HydrophobicContact SD-CB 4.34Å; M97-V188 HydrophobicContact SD-CG1 3.99Å; M97-V188 HydrophobicContact SD-CG2 3.72Å; V105-V188 HydrophobicContact CB-CG1 3.91Å; V105-V188 HydrophobicContact CG1-CG1 4.37Å; V105-V188 HydrophobicContact CG1-CG2 4.18Å; V105-V188 HydrophobicContact CG2-CG1 3.85Å; V184-V188 HydrophobicContact CG1-CG2 4.02Å; V184-V188 VanDerWaalsContact O-CG2 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.47Å; V184-V188 PolarHBondContact O-N 2.89Å; V188-S190 PolarHBondContact O-N 3.31Å; V188-R192 HydrophobicContact CG1-CB 4.37Å; V188-L193 HydrophobicContact CB-CB 4.15Å; V188-L193 HydrophobicContact CB-CD1 4.29Å; V188-L193 HydrophobicContact CB-CD2 4.28Å; V188-L193 HydrophobicContact CB-CG 4.47Å; V188-L193 HydrophobicContact CG1-CB 3.75Å; V188-L193 HydrophobicContact CG1-CD1 4.25Å; V188-L193 HydrophobicContact CG1-CG 4.46Å
189P98.5Very high98.2Very high64 Ų6462 Ų6242%0.41633%0.331SS..  trans-53.1135.3172.8-2836.5000112.1D191 R192 L193P189-D191 WeakPolarHBondContact CB-OD1 3.33Å; P189-D191 PolarHBondContact O-N 3.14Å; P189-R192 HydrophobicContact CB-CB 4.41Å; P189-R192 CarbonylContact O-C 3.56Å; P189-R192 WeakPolarHBondContact O-CA 3.21Å; P189-R192 PolarHBondContact O-N 3.29Å; P189-L193 PolarHBondContact O-N 2.98Å; P189-L193 VanDerWaalsContact O-N 3.11Å
190S97.5Very high98.1Very high112 Ų11261 Ų6178%0.78333%0.329SS*.THydrogen-bonded Turntrans-63.1-26-171.957.10000114.4V188 R192V188-S190 PolarHBondContact O-N 3.31Å; S190-R192 VanDerWaalsContact C-N 3.27Å
191D97.8Very high98.1Very high132 Ų13261.3 Ų61.371%0.70634%0.335SS*.THydrogen-bonded Turntrans-74.7-18.6174.763-30.6000113P189P189-D191 WeakPolarHBondContact CB-OD1 3.33Å; P189-D191 PolarHBondContact O-N 3.14Å
192R98.4Very high98.1Very high41 Ų4161.7 Ų61.716%0.15534%0.335CS..THydrogen-bonded Turntrans-103.7-7.1178.1-159.3176.2172.6-164.6-7.4113.3M97 Y100 P101 A103 V105 V188 P189 S190M97-R192 PolarHBondContact O-NH1 2.98Å; M97-R192 PolarHBondContact O-NH2 3.4Å; Y100-R192 PolarHBondContact O-NH2 3.03Å; P101-R192 VanDerWaalsContact O-CZ 3.26Å; P101-R192 PolarHBondContact O-NH2 3.35Å; A103-R192 PolarHBondContact O-NE 3.19Å; A103-R192 PolarHBondContact O-NH2 2.85Å; V105-R192 PolarHBondContact N-O 3.44Å; V188-R192 HydrophobicContact CG1-CB 4.37Å; P189-R192 HydrophobicContact CB-CB 4.41Å; P189-R192 CarbonylContact O-C 3.56Å; P189-R192 WeakPolarHBondContact O-CA 3.21Å; P189-R192 PolarHBondContact O-N 3.29Å; S190-R192 VanDerWaalsContact C-N 3.27Å
193L98.9Very high98Very high21 Ų2164.1 Ų64.111%0.1135%0.351CS..EExtended strand (participates in β ladder)trans-109.8134.2-177.7-176.263.3000112.4V105 L107 V184 Q185 V188 P189 V195 F208V105-L193 HydrophobicContact CB-CD1 4.21Å; V105-L193 HydrophobicContact CG1-CD1 4.03Å; V105-L193 WeakPolarHBondContact O-CA 3.41Å; L107-L193 HydrophobicContact CB-CD1 4.07Å; V184-L193 HydrophobicContact CG1-CD1 4.45Å; Q185-L193 HydrophobicContact CB-CD2 4.43Å; Q185-L193 HydrophobicContact CG-CD2 4.16Å; V188-L193 HydrophobicContact CB-CB 4.15Å; V188-L193 HydrophobicContact CB-CD1 4.29Å; V188-L193 HydrophobicContact CB-CD2 4.28Å; V188-L193 HydrophobicContact CB-CG 4.47Å; V188-L193 HydrophobicContact CG1-CB 3.75Å; V188-L193 HydrophobicContact CG1-CD1 4.25Å; V188-L193 HydrophobicContact CG1-CG 4.46Å; P189-L193 PolarHBondContact O-N 2.98Å; P189-L193 VanDerWaalsContact O-N 3.11Å; L193-V195 HydrophobicContact CD2-CG2 4.02Å; L193-V195 HydrophobicContact CG-CG2 4.23Å; L193-F208 VanDerWaalsContact C-CZ 3.5Å
194L98.8Very high98Very high31 Ų3164.1 Ų64.116%0.16235%0.353CS..EExtended strand (participates in β ladder)trans-118126.7157.717671.9000109.9V105 L106 L107 L196 F208V105-L194 PolarHBondContact O-N 3.43Å; L106-L194 WeakPolarHBondContact CA-O 3.37Å; L106-L194 HydrophobicContact CD2-CB 3.77Å; L106-L194 HydrophobicContact CD2-CD2 3.96Å; L106-L194 HydrophobicContact CD2-CG 4.33Å; L107-L194 PolarHBondContact N-O 2.88Å; L194-L196 HydrophobicContact CD2-CD1 3.98Å; L194-L196 HydrophobicContact CD2-CD2 3.75Å; L194-L196 HydrophobicContact CD2-CG 3.7Å; L194-L196 HydrophobicContact CG-CD2 4.26Å; L194-L196 HydrophobicContact CG-CG 3.98Å; L194-F208 HydrophobicContact CB-CB 4.28Å; L194-F208 HydrophobicContact CB-CD1 3.39Å; L194-F208 HydrophobicContact CB-CD2 4.01Å; L194-F208 HydrophobicContact CB-CE1 3.5Å; L194-F208 HydrophobicContact CB-CE2 4.15Å; L194-F208 HydrophobicContact CB-CG 3.64Å; L194-F208 HydrophobicContact CB-CZ 3.91Å; L194-F208 HydrophobicContact CD1-CB 4.46Å; L194-F208 HydrophobicContact CD2-CB 3.68Å; L194-F208 HydrophobicContact CD2-CD1 3.9Å; L194-F208 HydrophobicContact CD2-CG 3.96Å; L194-F208 HydrophobicContact CG-CB 4.35Å; L194-F208 HydrophobicContact CG-CD1 4.24Å; L194-F208 HydrophobicContact CG-CG 4.25Å
195V98.8Very high98Very high43 Ų4364.1 Ų64.126%0.26135%0.353SS..EExtended strand (participates in β ladder)trans-92.4120.5169.2-176.30000108.5L107 I109 Q185 L193L107-V195 HydrophobicContact CD2-CG2 4.38Å; L107-V195 WeakPolarHBondContact O-CA 3.35Å; I109-V195 HydrophobicContact CD1-CG1 3.53Å; I109-V195 HydrophobicContact CG1-CG1 3.87Å; I109-V195 HydrophobicContact CG2-CG1 4.45Å; Q185-V195 HydrophobicContact CG-CG2 3.95Å; L193-V195 HydrophobicContact CD2-CG2 4.02Å; L193-V195 HydrophobicContact CG-CG2 4.23Å
196L98.5Very high98Very high7 Ų759.8 Ų59.84%0.03733%0.333CS..EExtended strand (participates in β ladder)trans-111123.9178.8-76.8168.4000109.7L106 L107 T108 I109 L194 D200 P204 L205L106-L196 HydrophobicContact CD2-CD1 4.42Å; L107-L196 PolarHBondContact O-N 3.39Å; T108-L196 CarbonylContact C-O 3.6Å; T108-L196 VanDerWaalsContact CA-O 3.32Å; T108-L196 WeakPolarHBondContact CA-O 3.38Å; T108-L196 HydrophobicContact CG2-CB 4.15Å; I109-L196 PolarHBondContact N-O 3.08Å; L194-L196 HydrophobicContact CD2-CD1 3.98Å; L194-L196 HydrophobicContact CD2-CD2 3.75Å; L194-L196 HydrophobicContact CD2-CG 3.7Å; L194-L196 HydrophobicContact CG-CD2 4.26Å; L194-L196 HydrophobicContact CG-CG 3.98Å; L196-D200 HydrophobicContact CD2-CB 4.04Å; L196-P204 HydrophobicContact CD2-CB 4.1Å; L196-P204 HydrophobicContact CD2-CG 3.79Å; L196-L205 HydrophobicContact CD1-CB 4.44Å; L196-L205 HydrophobicContact CD1-CD1 4.13Å
197R98.2Very high98Very high163 Ų16362 Ų6262%0.61534%0.341SS*.EExtended strand (participates in β ladder)trans-82.1143.5165.9-69.7179-146.3-76.6-6.2109.6I109 G199 D200I109-R197 HydrophobicContact CD1-CG 3.92Å; I109-R197 HydrophobicContact CG1-CG 3.83Å; I109-R197 CarbonylContact O-C 3.51Å; I109-R197 WeakPolarHBondContact O-CA 3.22Å; R197-G199 PolarHBondContact O-N 3.37Å; R197-D200 PolarHBondContact N-OD2 3.1Å; R197-D200 VanDerWaalsContact O-CB 3.32Å; R197-D200 WeakPolarHBondContact O-CB 3.2Å; R197-D200 VanDerWaalsContact O-CG 3.22Å; R197-D200 PolarHBondContact O-N 3.33Å
198L94.9Very high98Very high83 Ų8360.9 Ų60.944%0.43533%0.331SS..THydrogen-bonded Turntrans-56.2117.5173.9-172.868.2000109.9I109 R110I109-L198 PolarHBondContact O-N 3.13Å; R110-L198 HydrophobicContact CB-CB 3.95Å; R110-L198 HydrophobicContact CB-CD2 4.37Å; R110-L198 VanDerWaalsContact NH1-CD2 3.29Å
199G94.8Very high98Very high74 Ų7461.3 Ų61.376%0.76333%0.333SS*.THydrogen-bonded Turntrans110.3-10-176.200000115R197 G201R197-G199 PolarHBondContact O-N 3.37Å; G199-G201 PolarHBondContact O-N 3.4Å
200D97.6Very high97.9Very high72 Ų7264.8 Ų64.839%0.38535%0.349SS..  trans-64.1-25.5-178.9-77.6-4.4000113.9L196 R197 P204L196-D200 HydrophobicContact CD2-CB 4.04Å; R197-D200 PolarHBondContact N-OD2 3.1Å; R197-D200 VanDerWaalsContact O-CB 3.32Å; R197-D200 WeakPolarHBondContact O-CB 3.2Å; R197-D200 VanDerWaalsContact O-CG 3.22Å; R197-D200 PolarHBondContact O-N 3.33Å; D200-P204 HydrophobicContact CB-CG 3.86Å
201G97.2Very high97.9Very high16 Ų1661.9 Ų61.917%0.16533%0.326CS..  trans71.1-154.8172.800000115G199G199-G201 PolarHBondContact O-N 3.4Å
202W98.5Very high98Very high20 Ų2064.1 Ų64.18%0.07633%0.332CS..Hα-helixtrans-71.6-41.4-171-74.7125.4000114.7A26 I29 I30 L205 C206 I213 P214 I217 Y219A26-W202 HydrophobicContact CB-CH2 3.54Å; A26-W202 HydrophobicContact CB-CZ2 4.42Å; A26-W202 HydrophobicContact CB-CZ3 3.6Å; I29-W202 HydrophobicContact CB-CH2 4.22Å; I29-W202 HydrophobicContact CD1-CH2 4.32Å; I29-W202 HydrophobicContact CD1-CZ2 4.29Å; I29-W202 HydrophobicContact CG2-CH2 4.16Å; I29-W202 HydrophobicContact CG2-CZ2 4.46Å; I30-W202 HydrophobicContact CD1-CE3 4.29Å; I30-W202 HydrophobicContact CD1-CZ3 3.64Å; I30-W202 HydrophobicContact CG1-CH2 4.45Å; I30-W202 HydrophobicContact CG1-CZ3 3.86Å; W202-L205 HydrophobicContact CE3-CD2 4.25Å; W202-L205 HydrophobicContact CZ3-CD2 4.23Å; W202-L205 PolarHBondContact O-N 3.41Å; W202-C206 WeakPolarHBondContact O-CB 3.46Å; W202-C206 PolarHBondContact O-N 3.28Å; W202-I213 HydrophobicContact CB-CD1 4.34Å; W202-I213 HydrophobicContact CB-CG1 4.18Å; W202-I213 HydrophobicContact CB-CG2 3.83Å; W202-I213 HydrophobicContact CG-CG2 3.97Å; W202-P214 HydrophobicContact CD2-CG 4.41Å; W202-P214 HydrophobicContact CE3-CG 4.34Å; W202-P214 HydrophobicContact CH2-CG 3.78Å; W202-P214 HydrophobicContact CZ2-CB 4.41Å; W202-P214 HydrophobicContact CZ2-CG 3.87Å; W202-P214 HydrophobicContact CZ3-CG 4.04Å; W202-I217 HydrophobicContact CZ2-CG2 4.46Å; W202-I217 PolarHBondContact NE1-O 3.17Å; W202-Y219 AromaticContact CD2-CD2 3.65Å; W202-Y219 HydrophobicContact CD2-CD2 3.65Å; W202-Y219 HydrophobicContact CD2-CE2 4.49Å; W202-Y219 AromaticContact CE2-CD2 3.9Å; W202-Y219 AromaticContact CE3-CD2 3.87Å; W202-Y219 HydrophobicContact CE3-CD2 3.87Å; W202-Y219 HydrophobicContact CE3-CE2 4.27Å; W202-Y219 AromaticContact CG-CD2 3.99Å; W202-Y219 HydrophobicContact CG-CD2 3.99Å; W202-Y219 HydrophobicContact CZ2-CD2 4.36Å; W202-Y219 HydrophobicContact CZ3-CD2 4.32Å
203E98.4Very high98Very high149 Ų14966.1 Ų66.170%0.69635%0.345SS*.Hα-helixtrans-54.2-55.5-167.1-77.7-176169.200114.2L205 K207 I213E203-L205 VanDerWaalsContact C-N 3.34Å; E203-L205 PolarHBondContact O-N 2.9Å; E203-K207 WeakPolarHBondContact O-CB 3.2Å; E203-K207 PolarHBondContact O-N 3.47Å; E203-K207 VanDerWaalsContact O-N 3.09Å; E203-I213 HydrophobicContact CG-CD1 3.79Å
204P98.5Very high97.9Very high41 Ų4166.2 Ų66.227%0.26635%0.347SS..Hα-helixtrans-67.2-36179.823-29.9000112.3L196 D200 F208L196-P204 HydrophobicContact CD2-CB 4.1Å; L196-P204 HydrophobicContact CD2-CG 3.79Å; D200-P204 HydrophobicContact CB-CG 3.86Å; P204-F208 VanDerWaalsContact O-CB 3.27Å; P204-F208 WeakPolarHBondContact O-CB 3.42Å; P204-F208 PolarHBondContact O-N 2.83Å
205L98.6Very high97.9Very high0 Ų072.3 Ų72.30%038%0.38CS..Hα-helixtrans-64.1-56.3178.9177.162.7000111.5L23 A26 I30 L106 L196 W202 E203 K207 F208 L209 Y219L23-L205 HydrophobicContact CD1-CD1 4.29Å; L23-L205 HydrophobicContact CD1-CD2 4.04Å; A26-L205 HydrophobicContact CB-CD2 4.21Å; I30-L205 HydrophobicContact CD1-CD2 4.19Å; I30-L205 HydrophobicContact CD1-CG 4.4Å; L106-L205 HydrophobicContact CD1-CD1 3.58Å; L106-L205 HydrophobicContact CD2-CD1 4.19Å; L196-L205 HydrophobicContact CD1-CB 4.44Å; L196-L205 HydrophobicContact CD1-CD1 4.13Å; W202-L205 HydrophobicContact CE3-CD2 4.25Å; W202-L205 HydrophobicContact CZ3-CD2 4.23Å; W202-L205 PolarHBondContact O-N 3.41Å; E203-L205 VanDerWaalsContact C-N 3.34Å; E203-L205 PolarHBondContact O-N 2.9Å; L205-K207 VanDerWaalsContact C-N 3.35Å; L205-K207 PolarHBondContact O-N 3.49Å; L205-F208 PolarHBondContact O-N 2.92Å; L205-L209 HydrophobicContact CD1-CD1 3.62Å; L205-L209 HydrophobicContact CD1-CG 4.09Å; L205-L209 HydrophobicContact CG-CD1 4.07Å; L205-L209 WeakPolarHBondContact O-CG 3.3Å; L205-L209 PolarHBondContact O-N 3.4Å; L205-Y219 HydrophobicContact CD2-CE2 4Å
206C98.6Very high97.8Very high3 Ų374 Ų742%0.0241%0.406CS..Hα-helixtrans-63-41.2-177.8-70.60000111.6W202 F208 L209 N210 V211 I213W202-C206 WeakPolarHBondContact O-CB 3.46Å; W202-C206 PolarHBondContact O-N 3.28Å; C206-F208 PolarHBondContact O-N 3.1Å; C206-L209 PolarHBondContact O-N 3.48Å; C206-N210 PolarHBondContact O-N 3.17Å; C206-V211 HydrophobicContact CB-CG2 4.05Å; C206-V211 PolarHBondContact O-N 3.3Å; C206-V211 VanDerWaalsContact O-N 3.07Å; C206-I213 HydrophobicContact CB-CG1 3.84Å
207K98.5Very high97.7Very high167 Ų16777.4 Ų77.473%0.72642%0.423SS*.Hα-helixtrans-59.3-46.8174.5-178.9179179.31800111.5E203 L205 L209 N210E203-K207 WeakPolarHBondContact O-CB 3.2Å; E203-K207 PolarHBondContact O-N 3.47Å; E203-K207 VanDerWaalsContact O-N 3.09Å; L205-K207 VanDerWaalsContact C-N 3.35Å; L205-K207 PolarHBondContact O-N 3.49Å; K207-L209 VanDerWaalsContact C-N 3.35Å; K207-N210 PolarHBondContact O-N 3.46Å; K207-N210 PolarHBondContact O-OD1 3.07Å
208F98.6Very high97.7Very high35 Ų3576.7 Ų76.715%0.15443%0.432CS..Hα-helixtrans-66.8-37.6-180179.9-116.5000112.1K104 L106 L193 L194 P204 L205 C206 N210K104-F208 HydrophobicContact CB-CE1 3.68Å; K104-F208 HydrophobicContact CB-CZ 4.08Å; K104-F208 HydrophobicContact CD-CD1 4.12Å; K104-F208 HydrophobicContact CD-CE1 3.82Å; K104-F208 HydrophobicContact CD-CE2 4.49Å; K104-F208 HydrophobicContact CD-CZ 4Å; K104-F208 HydrophobicContact CG-CE1 4.11Å; K104-F208 HydrophobicContact CG-CZ 4.18Å; K104-F208 PolarHBondContact NZ-O 3.2Å; L106-F208 HydrophobicContact CD2-CD1 3.79Å; L106-F208 HydrophobicContact CD2-CE1 3.83Å; L193-F208 VanDerWaalsContact C-CZ 3.5Å; L194-F208 HydrophobicContact CB-CB 4.28Å; L194-F208 HydrophobicContact CB-CD1 3.39Å; L194-F208 HydrophobicContact CB-CD2 4.01Å; L194-F208 HydrophobicContact CB-CE1 3.5Å; L194-F208 HydrophobicContact CB-CE2 4.15Å; L194-F208 HydrophobicContact CB-CG 3.64Å; L194-F208 HydrophobicContact CB-CZ 3.91Å; L194-F208 HydrophobicContact CD1-CB 4.46Å; L194-F208 HydrophobicContact CD2-CB 3.68Å; L194-F208 HydrophobicContact CD2-CD1 3.9Å; L194-F208 HydrophobicContact CD2-CG 3.96Å; L194-F208 HydrophobicContact CG-CB 4.35Å; L194-F208 HydrophobicContact CG-CD1 4.24Å; L194-F208 HydrophobicContact CG-CG 4.25Å; P204-F208 VanDerWaalsContact O-CB 3.27Å; P204-F208 WeakPolarHBondContact O-CB 3.42Å; P204-F208 PolarHBondContact O-N 2.83Å; L205-F208 PolarHBondContact O-N 2.92Å; C206-F208 PolarHBondContact O-N 3.1Å; F208-N210 VanDerWaalsContact C-N 3.29Å; F208-N210 PolarHBondContact O-N 3.11Å
209L98.1Very high97.8Very high14 Ų1475.7 Ų75.77%0.07342%0.423CS..Hα-helixtrans-79.6-7.4178.8-63.3-179.4000113.8V10 L27 I30 Y31 K104 L205 C206 K207 V211V10-L209 HydrophobicContact CG2-CD1 4.32Å; V10-L209 HydrophobicContact CG2-CD2 3.73Å; L27-L209 HydrophobicContact CD2-CD1 3.85Å; I30-L209 HydrophobicContact CD1-CD1 4.14Å; Y31-L209 HydrophobicContact CE2-CD1 4.23Å; K104-L209 HydrophobicContact CB-CD2 4.26Å; K104-L209 HydrophobicContact CD-CD2 3.96Å; L205-L209 HydrophobicContact CD1-CD1 3.62Å; L205-L209 HydrophobicContact CD1-CG 4.09Å; L205-L209 HydrophobicContact CG-CD1 4.07Å; L205-L209 WeakPolarHBondContact O-CG 3.3Å; L205-L209 PolarHBondContact O-N 3.4Å; C206-L209 PolarHBondContact O-N 3.48Å; K207-L209 VanDerWaalsContact C-N 3.35Å; L209-V211 HydrophobicContact CB-CG1 4.46Å; L209-V211 HydrophobicContact CB-CG2 4.06Å
210N97.7Very high97.6Very high137 Ų13773 Ų7373%0.73339%0.392SS*.THydrogen-bonded Turntrans5845.7-174.2-61.9-41.6000113C206 K207 F208C206-N210 PolarHBondContact O-N 3.17Å; K207-N210 PolarHBondContact O-N 3.46Å; K207-N210 PolarHBondContact O-OD1 3.07Å; F208-N210 VanDerWaalsContact C-N 3.29Å; F208-N210 PolarHBondContact O-N 3.11Å
211V97.7Very high97.4Very high51 Ų5175.6 Ų75.631%0.30941%0.414SS..  trans-125.8160.9176.7-60.50000110.2I30 C206 L209I30-V211 HydrophobicContact CD1-CG2 4.14Å; I30-V211 HydrophobicContact CG1-CG2 4.35Å; I30-V211 HydrophobicContact CG2-CB 4.23Å; I30-V211 HydrophobicContact CG2-CG1 4.03Å; I30-V211 HydrophobicContact CG2-CG2 3.82Å; C206-V211 HydrophobicContact CB-CG2 4.05Å; C206-V211 PolarHBondContact O-N 3.3Å; C206-V211 VanDerWaalsContact O-N 3.07Å; L209-V211 HydrophobicContact CB-CG1 4.46Å; L209-V211 HydrophobicContact CB-CG2 4.06Å
212E98.1Very high97.3Very high178 Ų17876 Ų7683%0.83241%0.412SS*.PPolyproline II helixtrans-73.2152.2173.4-64.6-169.3171.100111.3
213I98.5Very high97.1Very high84 Ų8475.9 Ų75.943%0.43141%0.413SS..PPolyproline II helixtrans-68.9129.7170.8-64.6176.6000108.1W202 E203 C206 N215W202-I213 HydrophobicContact CB-CD1 4.34Å; W202-I213 HydrophobicContact CB-CG1 4.18Å; W202-I213 HydrophobicContact CB-CG2 3.83Å; W202-I213 HydrophobicContact CG-CG2 3.97Å; E203-I213 HydrophobicContact CG-CD1 3.79Å; C206-I213 HydrophobicContact CB-CG1 3.84Å; I213-N215 PolarHBondContact O-N 3.49Å; I213-N215 VanDerWaalsContact O-N 3.17Å
214P98.2Very high97Very high22 Ų2271.7 Ų71.714%0.14340%0.4CS..PPolyproline II helixtrans-56.1120.7177.8-2837.3000112.1I29 I30 W202 G216 I217I29-P214 HydrophobicContact CG2-CB 3.79Å; I29-P214 HydrophobicContact CG2-CG 3.64Å; I30-P214 HydrophobicContact CG1-CG 4.41Å; W202-P214 HydrophobicContact CD2-CG 4.41Å; W202-P214 HydrophobicContact CE3-CG 4.34Å; W202-P214 HydrophobicContact CH2-CG 3.78Å; W202-P214 HydrophobicContact CZ2-CB 4.41Å; W202-P214 HydrophobicContact CZ2-CG 3.87Å; W202-P214 HydrophobicContact CZ3-CG 4.04Å; P214-G216 PolarHBondContact O-N 2.76Å; P214-I217 HydrophobicContact CB-CB 4.08Å; P214-I217 HydrophobicContact CB-CD1 4.08Å; P214-I217 HydrophobicContact CB-CG1 4.46Å
215N97.8Very high96.9Very high160 Ų16071.9 Ų71.986%0.85640%0.398SS*.THydrogen-bonded Turntrans-69.3125.9-174.7-178.837.1000111.8I213 I217I213-N215 PolarHBondContact O-N 3.49Å; I213-N215 VanDerWaalsContact O-N 3.17Å; N215-I217 PolarHBondContact O-N 3.12Å
216G97Very high96.8Very high79 Ų7978.4 Ų78.481%0.81443%0.428SS*.THydrogen-bonded Turntrans70.217.4176.100000114.7P214P214-G216 PolarHBondContact O-N 2.76Å
217I97Very high96.6Very high77 Ų7780 Ų8040%0.39544%0.435SS..  trans-119.9115.4179.7-57.9175.5000108.8I29 W202 P214 N215I29-I217 HydrophobicContact CD1-CG2 4.09Å; I29-I217 HydrophobicContact CG2-CD1 4.11Å; W202-I217 HydrophobicContact CZ2-CG2 4.46Å; W202-I217 PolarHBondContact NE1-O 3.17Å; P214-I217 HydrophobicContact CB-CB 4.08Å; P214-I217 HydrophobicContact CB-CD1 4.08Å; P214-I217 HydrophobicContact CB-CG1 4.46Å; N215-I217 PolarHBondContact O-N 3.12Å
218D97Very high96.5Very high148 Ų14873.4 Ų73.479%0.79141%0.407SS*.PPolyproline II helixtrans-67.2150.4173.8-69-26.7000111S220D218-S220 PolarHBondContact O-N 2.89Å
219Y96.8Very high96.4Very high63 Ų6373.3 Ų73.325%0.24741%0.41CS..PPolyproline II helixtrans-67127.8175.1-171.2-84.6000109.9A26 W202 L205 C221A26-Y219 HydrophobicContact CB-CD2 4.29Å; A26-Y219 HydrophobicContact CB-CE2 3.66Å; W202-Y219 AromaticContact CD2-CD2 3.65Å; W202-Y219 HydrophobicContact CD2-CD2 3.65Å; W202-Y219 HydrophobicContact CD2-CE2 4.49Å; W202-Y219 AromaticContact CE2-CD2 3.9Å; W202-Y219 AromaticContact CE3-CD2 3.87Å; W202-Y219 HydrophobicContact CE3-CD2 3.87Å; W202-Y219 HydrophobicContact CE3-CE2 4.27Å; W202-Y219 AromaticContact CG-CD2 3.99Å; W202-Y219 HydrophobicContact CG-CD2 3.99Å; W202-Y219 HydrophobicContact CZ2-CD2 4.36Å; W202-Y219 HydrophobicContact CZ3-CD2 4.32Å; L205-Y219 HydrophobicContact CD2-CE2 4Å; Y219-C221 PolarHBondContact O-N 3.29Å
220S91.7Very high96.4Very high17 Ų1777.2 Ų77.212%0.11943%0.427CS..PPolyproline II helixtrans-60.9131.5-170.7-45.20000112.8S22 N25 D218S22-S220 WeakPolarHBondContact CB-O 3.4Å; S22-S220 PolarHBondContact OG-O 2.7Å; N25-S220 WeakPolarHBondContact OD1-CB 3.41Å; N25-S220 PolarHBondContact OD1-OG 3Å; D218-S220 PolarHBondContact O-N 2.89Å
221C93.1Very high96.3Very high127 Ų12770.9 Ų70.986%0.85839%0.393SS*.  trans-122.481.9176.5-178.20000110.1Y219Y219-C221 PolarHBondContact O-N 3.29Å
222I94.6Very high96.3Very high24 Ų2469 Ų6912%0.12338%0.382CS..  trans-130.2173.4-168.859.8171.5000111.5K21 S22 N25 S224 D250K21-I222 HydrophobicContact CG-CD1 3.79Å; K21-I222 HydrophobicContact CG-CG1 4.24Å; S22-I222 PolarHBondContact OG-N 2.97Å; N25-I222 HydrophobicContact CB-CD1 4.2Å; I222-S224 VanDerWaalsContact C-N 3.32Å; I222-S224 PolarHBondContact O-N 2.87Å; I222-D250 HydrophobicContact CB-CB 4.4Å; I222-D250 HydrophobicContact CD1-CB 4.17Å; I222-D250 VanDerWaalsContact CD1-O 3.3Å; I222-D250 WeakPolarHBondContact CD1-O 3.12Å; I222-D250 HydrophobicContact CG2-CB 3.63Å
223N95.8Very high96.3Very high18 Ų1865.1 Ų65.110%0.09636%0.364CS..  trans61.636.9177.3-166.68.2000113R17 K21 M228R17-N223 VanDerWaalsContact NH1-CG 3.34Å; R17-N223 PolarHBondContact NH1-ND2 2.84Å; R17-N223 PolarHBondContact NH1-O 3.08Å; R17-N223 PolarHBondContact NH1-OD1 3.39Å; R17-N223 PolarHBondContact NH2-O 3.07Å; K21-N223 HydrophobicContact CB-CB 3.75Å; K21-N223 WeakPolarHBondContact CB-ND2 3.35Å; K21-N223 HydrophobicContact CG-CB 3.97Å; N223-M228 WeakPolarHBondContact OD1-CG 3.21Å; N223-M228 PolarHBondContact OD1-SD 3.1Å
224S95.9Very high96.2Very high60 Ų6062.6 Ų62.642%0.4235%0.35SS..  trans-65.4154.9170.876.60000110.3I222 H226 Q227 M228I222-S224 VanDerWaalsContact C-N 3.32Å; I222-S224 PolarHBondContact O-N 2.87Å; S224-H226 PolarHBondContact O-N 3.04Å; S224-Q227 PolarHBondContact O-N 2.99Å; S224-Q227 VanDerWaalsContact O-N 3.13Å; S224-Q227 WeakPolarHBondContact OG-CB 3.47Å; S224-Q227 PolarHBondContact OG-N 3.3Å; S224-Q227 VanDerWaalsContact OG-N 3.11Å; S224-M228 WeakPolarHBondContact O-CG 3.31Å; S224-M228 PolarHBondContact O-N 2.94Å
225H95.5Very high96.2Very high45 Ų4561.7 Ų61.721%0.20834%0.344CS..Hα-helixtrans-63-30.6177.463.976.8000111.9K121 V122 M228 T229K121-H225 HydrophobicContact CB-CB 3.94Å; V122-H225 HydrophobicContact CG2-CB 3.69Å; H225-M228 PolarHBondContact O-N 3.32Å; H225-T229 WeakPolarHBondContact O-CB 3.5Å; H225-T229 PolarHBondContact O-N 2.92Å; H225-T229 PolarHBondContact O-OG1 3.23Å
226H96.2Very high96.2Very high137 Ų13755.3 Ų55.363%0.63431%0.31SS*.Hα-helixtrans-63.1-43.8172.7-71.2-66.2000112.2S224 M228 T229 Q230S224-H226 PolarHBondContact O-N 3.04Å; H226-M228 VanDerWaalsContact C-N 3.33Å; H226-M228 PolarHBondContact O-N 3.29Å; H226-T229 PolarHBondContact O-N 3.44Å; H226-Q230 PolarHBondContact O-N 2.98Å
227Q95.6Very high96.2Very high38 Ų3858.6 Ų58.618%0.17830%0.302CS..Hα-helixtrans-63.8-40.4176-171.3179.235.200111.2S224 Q230 L231 F248S224-Q227 PolarHBondContact O-N 2.99Å; S224-Q227 VanDerWaalsContact O-N 3.13Å; S224-Q227 WeakPolarHBondContact OG-CB 3.47Å; S224-Q227 PolarHBondContact OG-N 3.3Å; S224-Q227 VanDerWaalsContact OG-N 3.11Å; Q227-Q230 PolarHBondContact O-N 3.25Å; Q227-L231 PolarHBondContact O-N 3.01Å; Q227-F248 HydrophobicContact CG-CD1 4.05Å; Q227-F248 HydrophobicContact CG-CE1 4.19Å
228M96.4Very high96.3Very high28 Ų2858.3 Ų58.314%0.13830%0.299CS..Hα-helixtrans-66.7-40.7176.4-67.8-54.2-58.900112.6V122 N223 S224 H225 H226 Q230 L231 T232 W251V122-M228 HydrophobicContact CG1-CB 4.06Å; V122-M228 HydrophobicContact CG1-CE 4.31Å; V122-M228 HydrophobicContact CG1-CG 3.87Å; V122-M228 HydrophobicContact CG2-CB 3.89Å; V122-M228 HydrophobicContact CG2-CG 4.16Å; N223-M228 WeakPolarHBondContact OD1-CG 3.21Å; N223-M228 PolarHBondContact OD1-SD 3.1Å; S224-M228 WeakPolarHBondContact O-CG 3.31Å; S224-M228 PolarHBondContact O-N 2.94Å; H225-M228 PolarHBondContact O-N 3.32Å; H226-M228 VanDerWaalsContact C-N 3.33Å; H226-M228 PolarHBondContact O-N 3.29Å; M228-Q230 VanDerWaalsContact C-N 3.32Å; M228-Q230 PolarHBondContact O-N 2.65Å; M228-L231 HydrophobicContact CE-CD2 3.83Å; M228-L231 WeakPolarHBondContact O-CB 3.49Å; M228-L231 PolarHBondContact O-N 2.92Å; M228-L231 HydrophobicContact SD-CD2 4.2Å; M228-T232 PolarHBondContact O-N 3.48Å; M228-T232 PolarHBondContact O-OG1 3.43Å; M228-T232 VanDerWaalsContact O-OG1 3.13Å; M228-W251 HydrophobicContact CE-CZ2 3.98Å; M228-W251 HydrophobicContact SD-CZ2 4.47Å; M228-W251 PolarHBondContact SD-NE1 2.92Å
229T96.9Very high96.3Very high33 Ų3357 Ų5720%0.20229%0.288CS..Hα-helixtrans-57.3-47.2171.8-650000110.9W131 H225 H226 L231 T232 E233W131-T229 HydrophobicContact CH2-CG2 3.82Å; W131-T229 HydrophobicContact CZ2-CG2 3.75Å; H225-T229 WeakPolarHBondContact O-CB 3.5Å; H225-T229 PolarHBondContact O-N 2.92Å; H225-T229 PolarHBondContact O-OG1 3.23Å; H226-T229 PolarHBondContact O-N 3.44Å; T229-L231 VanDerWaalsContact C-N 3.34Å; T229-L231 PolarHBondContact O-N 2.94Å; T229-T232 PolarHBondContact O-N 2.68Å; T229-E233 WeakPolarHBondContact O-CG 3.48Å; T229-E233 PolarHBondContact O-N 3.23Å
230Q96.7Very high96.2Very high95 Ų9555.6 Ų55.644%0.44429%0.287SS..Hα-helixtrans-62.2-41.3177.7-171.8-179.3-8.700111.9H226 Q227 M228 E233 Q234 F248H226-Q230 PolarHBondContact O-N 2.98Å; Q227-Q230 PolarHBondContact O-N 3.25Å; M228-Q230 VanDerWaalsContact C-N 3.32Å; M228-Q230 PolarHBondContact O-N 2.65Å; Q230-E233 PolarHBondContact O-N 2.82Å; Q230-Q234 HydrophobicContact CG-CG 4.5Å; Q230-Q234 WeakPolarHBondContact O-CG 3.44Å; Q230-Q234 PolarHBondContact O-N 3.09Å; Q230-F248 HydrophobicContact CB-CE1 4.44Å; Q230-F248 HydrophobicContact CB-CZ 4.49Å; Q230-F248 HydrophobicContact CG-CE1 4.38Å; Q230-F248 HydrophobicContact CG-CZ 4.13Å
231L96.2Very high96.4Very high4 Ų456.2 Ų56.22%0.02129%0.289CS..Hα-helixtrans-59.3-50.1175.4175.965.8000111.3Q227 M228 T229 E233 Q234 L235 I244 F248 W251Q227-L231 PolarHBondContact O-N 3.01Å; M228-L231 HydrophobicContact CE-CD2 3.83Å; M228-L231 WeakPolarHBondContact O-CB 3.49Å; M228-L231 PolarHBondContact O-N 2.92Å; M228-L231 HydrophobicContact SD-CD2 4.2Å; T229-L231 VanDerWaalsContact C-N 3.34Å; T229-L231 PolarHBondContact O-N 2.94Å; L231-E233 VanDerWaalsContact C-N 3.33Å; L231-E233 PolarHBondContact O-N 3.09Å; L231-Q234 PolarHBondContact O-N 3.41Å; L231-L235 HydrophobicContact CD1-CD1 4.21Å; L231-L235 HydrophobicContact CD1-CG 4.2Å; L231-L235 HydrophobicContact CG-CD1 3.99Å; L231-L235 HydrophobicContact CG-CG 4.41Å; L231-L235 WeakPolarHBondContact O-CB 3.43Å; L231-L235 WeakPolarHBondContact O-CG 3.48Å; L231-L235 PolarHBondContact O-N 3.27Å; L231-I244 HydrophobicContact CD1-CD1 3.99Å; L231-F248 HydrophobicContact CB-CD1 4.45Å; L231-F248 HydrophobicContact CB-CE1 3.94Å; L231-F248 HydrophobicContact CB-CE2 4.47Å; L231-F248 HydrophobicContact CB-CZ 3.96Å; L231-F248 HydrophobicContact CD1-CD2 3.82Å; L231-F248 HydrophobicContact CD1-CE2 3.8Å; L231-F248 HydrophobicContact CD1-CG 4.21Å; L231-F248 HydrophobicContact CD1-CZ 4.15Å; L231-W251 HydrophobicContact CD1-CE3 4.41Å; L231-W251 HydrophobicContact CD1-CZ3 4.48Å; L231-W251 HydrophobicContact CD2-CD2 3.69Å; L231-W251 HydrophobicContact CD2-CE3 3.59Å; L231-W251 HydrophobicContact CD2-CH2 3.59Å; L231-W251 HydrophobicContact CD2-CZ2 3.6Å; L231-W251 HydrophobicContact CD2-CZ3 3.57Å
232T97.1Very high96.4Very high13 Ų1356.3 Ų56.38%0.0828%0.281CS..Hα-helixtrans-56.4-46.7176.9-58.90000111.2W131 K134 M228 T229 Q234 L235 I236W131-T232 HydrophobicContact CH2-CG2 4.41Å; W131-T232 HydrophobicContact CZ2-CG2 4.09Å; K134-T232 HydrophobicContact CB-CG2 4.41Å; K134-T232 WeakPolarHBondContact O-CG2 3.41Å; M228-T232 PolarHBondContact O-N 3.48Å; M228-T232 PolarHBondContact O-OG1 3.43Å; M228-T232 VanDerWaalsContact O-OG1 3.13Å; T229-T232 PolarHBondContact O-N 2.68Å; T232-Q234 PolarHBondContact O-N 3.32Å; T232-L235 PolarHBondContact O-N 3.32Å; T232-I236 HydrophobicContact CG2-CD1 3.95Å; T232-I236 VanDerWaalsContact O-CG1 3.24Å; T232-I236 WeakPolarHBondContact O-CG1 3.37Å; T232-I236 PolarHBondContact O-N 2.84Å
233E97.9Very high96.4Very high96 Ų9658.5 Ų58.545%0.44930%0.296SS..Hα-helixtrans-62.4-40.9178.1-70.2176167.500112.7W131 T229 Q230 L231 K237W131-E233 HydrophobicContact CH2-CG 4.03Å; T229-E233 WeakPolarHBondContact O-CG 3.48Å; T229-E233 PolarHBondContact O-N 3.23Å; Q230-E233 PolarHBondContact O-N 2.82Å; L231-E233 VanDerWaalsContact C-N 3.33Å; L231-E233 PolarHBondContact O-N 3.09Å; E233-K237 VanDerWaalsContact O-CB 3.29Å; E233-K237 WeakPolarHBondContact O-CB 3.22Å; E233-K237 PolarHBondContact O-N 3.22Å
234Q97.9Very high96.4Very high30 Ų3057.7 Ų57.714%0.1429%0.291CS..Hα-helixtrans-69.5-39.5177.5-68.8-41.3-68.300112Q230 L231 T232 I236 K237 H238 I244 M247 F248Q230-Q234 HydrophobicContact CG-CG 4.5Å; Q230-Q234 WeakPolarHBondContact O-CG 3.44Å; Q230-Q234 PolarHBondContact O-N 3.09Å; L231-Q234 PolarHBondContact O-N 3.41Å; T232-Q234 PolarHBondContact O-N 3.32Å; Q234-I236 VanDerWaalsContact C-N 3.35Å; Q234-I236 PolarHBondContact O-N 3.2Å; Q234-K237 PolarHBondContact O-N 3.2Å; Q234-H238 WeakPolarHBondContact O-CB 3.36Å; Q234-H238 PolarHBondContact O-CD2 3.04Å; Q234-H238 PolarHBondContact O-N 2.8Å; Q234-I244 HydrophobicContact CB-CB 4.4Å; Q234-I244 HydrophobicContact CB-CD1 3.61Å; Q234-I244 HydrophobicContact CB-CG2 4.16Å; Q234-M247 HydrophobicContact CG-CE 3.91Å; Q234-F248 HydrophobicContact CB-CE2 4.33Å; Q234-F248 HydrophobicContact CG-CE2 4.26Å; Q234-F248 HydrophobicContact CG-CZ 4.2Å
235L97.4Very high96.2Very high3 Ų357.8 Ų57.82%0.01629%0.286CS..Hα-helixtrans-58.5-48.7174.9-76.4169.1000110.5V141 L142 L231 T232 K237 H238 Q239 L241 I244V141-L235 HydrophobicContact CB-CB 4.41Å; V141-L235 HydrophobicContact CB-CD2 4.47Å; V141-L235 HydrophobicContact CG1-CB 4.44Å; V141-L235 HydrophobicContact CG1-CD2 3.96Å; L142-L235 HydrophobicContact CD1-CD1 3.87Å; L142-L235 HydrophobicContact CD2-CD1 4.12Å; L142-L235 HydrophobicContact CD2-CD2 3.75Å; L142-L235 HydrophobicContact CG-CD1 3.93Å; L142-L235 HydrophobicContact CG-CD2 4.27Å; L231-L235 HydrophobicContact CD1-CD1 4.21Å; L231-L235 HydrophobicContact CD1-CG 4.2Å; L231-L235 HydrophobicContact CG-CD1 3.99Å; L231-L235 HydrophobicContact CG-CG 4.41Å; L231-L235 WeakPolarHBondContact O-CB 3.43Å; L231-L235 WeakPolarHBondContact O-CG 3.48Å; L231-L235 PolarHBondContact O-N 3.27Å; T232-L235 PolarHBondContact O-N 3.32Å; L235-K237 PolarHBondContact O-N 3.45Å; L235-H238 PolarHBondContact O-N 3.37Å; L235-Q239 WeakPolarHBondContact O-CA 3.3Å; L235-Q239 PolarHBondContact O-N 2.77Å; L235-L241 HydrophobicContact CD2-CB 4.33Å; L235-L241 HydrophobicContact CD2-CD1 4.18Å; L235-I244 HydrophobicContact CB-CD1 4.43Å; L235-I244 HydrophobicContact CD2-CD1 3.71Å; L235-I244 HydrophobicContact CG-CD1 3.76Å
236I97.7Very high96.1Very high27 Ų2762.3 Ų62.314%0.13831%0.307CS..Hα-helixtrans-61.5-44.9177.7-65.3167000110.9K134 E137 T232 Q234 Q239K134-I236 HydrophobicContact CB-CD1 4.18Å; K134-I236 HydrophobicContact CD-CD1 3.63Å; K134-I236 WeakPolarHBondContact O-CD1 3.44Å; E137-I236 HydrophobicContact CB-CD1 4.11Å; E137-I236 HydrophobicContact CB-CG1 4.05Å; E137-I236 HydrophobicContact CG-CD1 4.31Å; E137-I236 HydrophobicContact CG-CG1 3.91Å; E137-I236 HydrophobicContact CG-CG2 4.29Å; E137-I236 WeakPolarHBondContact OE1-CG2 3.47Å; T232-I236 HydrophobicContact CG2-CD1 3.95Å; T232-I236 VanDerWaalsContact O-CG1 3.24Å; T232-I236 WeakPolarHBondContact O-CG1 3.37Å; T232-I236 PolarHBondContact O-N 2.84Å; Q234-I236 VanDerWaalsContact C-N 3.35Å; Q234-I236 PolarHBondContact O-N 3.2Å; I236-Q239 PolarHBondContact O-NE2 3.39Å
237K98Very high96Very high147 Ų14759.5 Ų59.564%0.63930%0.296SS*.Hα-helixtrans-66.3-40.5-177.4-179.2-176.9171.9-1620112.8E233 Q234 L235E233-K237 VanDerWaalsContact O-CB 3.29Å; E233-K237 WeakPolarHBondContact O-CB 3.22Å; E233-K237 PolarHBondContact O-N 3.22Å; Q234-K237 PolarHBondContact O-N 3.2Å; L235-K237 PolarHBondContact O-N 3.45Å
238H97.6Very high95.9Very high71 Ų7157.9 Ų57.933%0.32929%0.288SS..Hα-helixtrans-100.7-13.6-171.4-71.5-86.6000113.9Q234 L235 S240 T243 I244Q234-H238 WeakPolarHBondContact O-CB 3.36Å; Q234-H238 PolarHBondContact O-CD2 3.04Å; Q234-H238 PolarHBondContact O-N 2.8Å; L235-H238 PolarHBondContact O-N 3.37Å; H238-S240 PolarHBondContact O-N 3.08Å; H238-T243 HydrophobicContact CB-CG2 4.16Å; H238-I244 HydrophobicContact CB-CG2 3.69Å
239Q97.5Very high95.4Very high121 Ų12160.9 Ų60.957%0.56531%0.31SS*.SBendtrans53.127.2179-61.2-71.2-51.100113.4V141 L235 I236V141-Q239 VanDerWaalsContact CG1-C 3.4Å; L235-Q239 WeakPolarHBondContact O-CA 3.3Å; L235-Q239 PolarHBondContact O-N 2.77Å; I236-Q239 PolarHBondContact O-NE2 3.39Å
240S95.6Very high94.4Very high34 Ų3463.2 Ų63.224%0.23832%0.321CS..  trans-162.6129.2-178.3168.30000110.5H238 D242 T243H238-S240 PolarHBondContact O-N 3.08Å; S240-D242 PolarHBondContact OG-N 3.39Å; S240-T243 WeakPolarHBondContact CB-OG1 3.3Å; S240-T243 PolarHBondContact OG-N 3.02Å; S240-T243 PolarHBondContact OG-OG1 3.24Å
241L94.1Very high93.6Very high29 Ų2959 Ų5915%0.15230%0.301CS..SBendtrans-66.1-44.4171.8-179.961.3000111.4L142 L235 T243 I244 I245 I252L142-L241 HydrophobicContact CD2-CB 4.03Å; L142-L241 HydrophobicContact CD2-CD1 4.13Å; L142-L241 HydrophobicContact CD2-CD2 3.93Å; L142-L241 HydrophobicContact CD2-CG 4.25Å; L235-L241 HydrophobicContact CD2-CB 4.33Å; L235-L241 HydrophobicContact CD2-CD1 4.18Å; L241-T243 PolarHBondContact O-N 3.37Å; L241-T243 VanDerWaalsContact O-N 3.1Å; L241-I244 HydrophobicContact CD1-CG1 4.5Å; L241-I244 CarbonylContact O-C 3.59Å; L241-I244 WeakPolarHBondContact O-CG1 3.34Å; L241-I244 PolarHBondContact O-N 2.95Å; L241-I245 PolarHBondContact O-N 2.9Å; L241-I252 HydrophobicContact CD1-CD1 3.86Å
242D94.1Very high92.2Very high130 Ų13061.5 Ų61.570%0.69531%0.313SS*.THydrogen-bonded Turntrans-58-28.5-178.3-64.8-19.8000113.1S240 I244 I245S240-D242 PolarHBondContact OG-N 3.39Å; D242-I244 VanDerWaalsContact C-N 3.31Å; D242-I244 PolarHBondContact O-N 3.35Å; D242-I245 WeakPolarHBondContact O-CG2 3.29Å
243T94.6Very high91.9Very high70 Ų7063.9 Ų63.943%0.42933%0.325SS..THydrogen-bonded Turntrans-73.3-24.9178.6-57.30000112.3H238 S240 L241 H246H238-T243 HydrophobicContact CB-CG2 4.16Å; S240-T243 WeakPolarHBondContact CB-OG1 3.3Å; S240-T243 PolarHBondContact OG-N 3.02Å; S240-T243 PolarHBondContact OG-OG1 3.24Å; L241-T243 PolarHBondContact O-N 3.37Å; L241-T243 VanDerWaalsContact O-N 3.1Å; T243-H246 PolarHBondContact O-CE1 2.78Å; T243-H246 PolarHBondContact O-ND1 2.53Å
244I94.7Very high91.6Very high0 Ų062.2 Ų62.20%032%0.319CS..THydrogen-bonded Turntrans-121.1-9.3-171.468.1168000113.8L231 Q234 L235 H238 L241 D242 H246 M247 F248L231-I244 HydrophobicContact CD1-CD1 3.99Å; Q234-I244 HydrophobicContact CB-CB 4.4Å; Q234-I244 HydrophobicContact CB-CD1 3.61Å; Q234-I244 HydrophobicContact CB-CG2 4.16Å; L235-I244 HydrophobicContact CB-CD1 4.43Å; L235-I244 HydrophobicContact CD2-CD1 3.71Å; L235-I244 HydrophobicContact CG-CD1 3.76Å; H238-I244 HydrophobicContact CB-CG2 3.69Å; L241-I244 HydrophobicContact CD1-CG1 4.5Å; L241-I244 CarbonylContact O-C 3.59Å; L241-I244 WeakPolarHBondContact O-CG1 3.34Å; L241-I244 PolarHBondContact O-N 2.95Å; D242-I244 VanDerWaalsContact C-N 3.31Å; D242-I244 PolarHBondContact O-N 3.35Å; I244-H246 PolarHBondContact O-N 3.08Å; I244-H246 VanDerWaalsContact O-N 3.13Å; I244-M247 HydrophobicContact CB-SD 4.01Å; I244-M247 HydrophobicContact CG2-SD 4.18Å; I244-M247 WeakPolarHBondContact O-CA 3.37Å; I244-M247 WeakPolarHBondContact O-CB 3.14Å; I244-M247 WeakPolarHBondContact O-CG 3.21Å; I244-M247 PolarHBondContact O-N 3.08Å; I244-F248 HydrophobicContact CD1-CE2 4.3Å
245I92.1Very high91.3Very high62 Ų6264 Ų6432%0.31833%0.328SS..G310 helixtrans-48.9-41.7-177.8-179.6148.6000112.9L241 D242 M247 F248 I252L241-I245 PolarHBondContact O-N 2.9Å; D242-I245 WeakPolarHBondContact O-CG2 3.29Å; I245-M247 PolarHBondContact O-N 3.24Å; I245-M247 VanDerWaalsContact O-N 3.15Å; I245-F248 CarbonylContact O-C 3.57Å; I245-F248 PolarHBondContact O-N 2.99Å; I245-I252 HydrophobicContact CB-CD1 3.88Å; I245-I252 HydrophobicContact CD1-CB 4.35Å; I245-I252 HydrophobicContact CD1-CD1 3.79Å; I245-I252 HydrophobicContact CD1-CG2 3.6Å; I245-I252 HydrophobicContact CG1-CB 4.32Å; I245-I252 HydrophobicContact CG1-CD1 3.4Å; I245-I252 HydrophobicContact CG1-CG1 4.38Å; I245-I252 HydrophobicContact CG1-CG2 4.1Å
246H93.6Very high90.9Very high140 Ų14067.6 Ų67.665%0.64835%0.347SS*.G310 helixtrans-64.6-18.1179.469.8-84.3000113.8T243 I244 F248T243-H246 PolarHBondContact O-CE1 2.78Å; T243-H246 PolarHBondContact O-ND1 2.53Å; I244-H246 PolarHBondContact O-N 3.08Å; I244-H246 VanDerWaalsContact O-N 3.13Å; H246-F248 VanDerWaalsContact C-N 3.33Å
247M93.9Very high90.5Very high79 Ų7970.1 Ų70.139%0.38936%0.36SS..G310 helixtrans-81.1-14.1176.3-55.6171.159.100112.5Q234 I244 I245 P249Q234-M247 HydrophobicContact CG-CE 3.91Å; I244-M247 HydrophobicContact CB-SD 4.01Å; I244-M247 HydrophobicContact CG2-SD 4.18Å; I244-M247 WeakPolarHBondContact O-CA 3.37Å; I244-M247 WeakPolarHBondContact O-CB 3.14Å; I244-M247 WeakPolarHBondContact O-CG 3.21Å; I244-M247 PolarHBondContact O-N 3.08Å; I245-M247 PolarHBondContact O-N 3.24Å; I245-M247 VanDerWaalsContact O-N 3.15Å; M247-P249 VanDerWaalsContact C-CD 3.45Å
248F92.8Very high90Very high4 Ų465 Ų652%0.01834%0.341CS..  trans-129.257.1-175.7-58.2-87.3000111.7Q227 Q230 L231 Q234 I244 I245 H246 D250 W251Q227-F248 HydrophobicContact CG-CD1 4.05Å; Q227-F248 HydrophobicContact CG-CE1 4.19Å; Q230-F248 HydrophobicContact CB-CE1 4.44Å; Q230-F248 HydrophobicContact CB-CZ 4.49Å; Q230-F248 HydrophobicContact CG-CE1 4.38Å; Q230-F248 HydrophobicContact CG-CZ 4.13Å; L231-F248 HydrophobicContact CB-CD1 4.45Å; L231-F248 HydrophobicContact CB-CE1 3.94Å; L231-F248 HydrophobicContact CB-CE2 4.47Å; L231-F248 HydrophobicContact CB-CZ 3.96Å; L231-F248 HydrophobicContact CD1-CD2 3.82Å; L231-F248 HydrophobicContact CD1-CE2 3.8Å; L231-F248 HydrophobicContact CD1-CG 4.21Å; L231-F248 HydrophobicContact CD1-CZ 4.15Å; Q234-F248 HydrophobicContact CB-CE2 4.33Å; Q234-F248 HydrophobicContact CG-CE2 4.26Å; Q234-F248 HydrophobicContact CG-CZ 4.2Å; I244-F248 HydrophobicContact CD1-CE2 4.3Å; I245-F248 CarbonylContact O-C 3.57Å; I245-F248 PolarHBondContact O-N 2.99Å; H246-F248 VanDerWaalsContact C-N 3.33Å; F248-D250 PolarHBondContact O-N 2.81Å; F248-D250 VanDerWaalsContact O-N 3.14Å; F248-W251 HydrophobicContact CB-CB 4.01Å; F248-W251 PolarHBondContact O-N 3.01Å
249P86Confident89.5Confident91 Ų9164.6 Ų64.659%0.59134%0.342SS*.THydrogen-bonded Turntrans-59.9-30.5-169.725.3-35.7000114M247M247-P249 VanDerWaalsContact C-CD 3.45Å
250D77.7Confident88.8Confident82 Ų8260.2 Ų60.244%0.43933%0.325SS..THydrogen-bonded Turntrans-91.4-11.1-178.4-48.4-51.2000113.5K21 I222 F248K21-D250 PolarHBondContact NZ-O 2.89Å; I222-D250 HydrophobicContact CB-CB 4.4Å; I222-D250 HydrophobicContact CD1-CB 4.17Å; I222-D250 VanDerWaalsContact CD1-O 3.3Å; I222-D250 WeakPolarHBondContact CD1-O 3.12Å; I222-D250 HydrophobicContact CG2-CB 3.63Å; F248-D250 PolarHBondContact O-N 2.81Å; F248-D250 VanDerWaalsContact O-N 3.14Å
251W78.4Confident88.3Confident7 Ų762.4 Ų62.43%0.02733%0.332CS..THydrogen-bonded Turntrans-80.8-32.9178.8-169.173.3000111.6K21 T39 I42 I43 M228 L231 F248K21-W251 WeakPolarHBondContact CE-O 3.35Å; K21-W251 PolarHBondContact NZ-O 2.79Å; T39-W251 HydrophobicContact CG2-CZ2 4.32Å; I42-W251 HydrophobicContact CG2-CH2 4.38Å; I43-W251 HydrophobicContact CD1-CE3 4.23Å; I43-W251 HydrophobicContact CD1-CH2 4.26Å; I43-W251 HydrophobicContact CD1-CZ3 3.86Å; I43-W251 HydrophobicContact CG1-CZ3 4.39Å; M228-W251 HydrophobicContact CE-CZ2 3.98Å; M228-W251 HydrophobicContact SD-CZ2 4.47Å; M228-W251 PolarHBondContact SD-NE1 2.92Å; L231-W251 HydrophobicContact CD1-CE3 4.41Å; L231-W251 HydrophobicContact CD1-CZ3 4.48Å; L231-W251 HydrophobicContact CD2-CD2 3.69Å; L231-W251 HydrophobicContact CD2-CE3 3.59Å; L231-W251 HydrophobicContact CD2-CH2 3.59Å; L231-W251 HydrophobicContact CD2-CZ2 3.6Å; L231-W251 HydrophobicContact CD2-CZ3 3.57Å; F248-W251 HydrophobicContact CB-CB 4.01Å; F248-W251 PolarHBondContact O-N 3.01Å
252I67.1Low87.7Confident55 Ų5565.5 Ų65.528%0.28235%0.349SS..  trans-103.50-168.4-59.4172.1000111.7I43 L241 I245I43-I252 HydrophobicContact CD1-CB 4.23Å; I43-I252 HydrophobicContact CD1-CG1 3.96Å; I43-I252 HydrophobicContact CD1-CG2 4.02Å; I43-I252 HydrophobicContact CG2-CG2 4.15Å; L241-I252 HydrophobicContact CD1-CD1 3.86Å; I245-I252 HydrophobicContact CB-CD1 3.88Å; I245-I252 HydrophobicContact CD1-CB 4.35Å; I245-I252 HydrophobicContact CD1-CD1 3.79Å; I245-I252 HydrophobicContact CD1-CG2 3.6Å; I245-I252 HydrophobicContact CG1-CB 4.32Å; I245-I252 HydrophobicContact CG1-CD1 3.4Å; I245-I252 HydrophobicContact CG1-CG1 4.38Å; I245-I252 HydrophobicContact CG1-CG2 4.1Å

Retrieved 252 of 252 residues in 392.8 ms (Link to these results)

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