A0A060ZI43_ONCMY Loading...

Tubulin polymerization-promoting protein family member 2

AlphaFold DB (A0A1S3RJI0), UniProt , Accession A0A060ZI43, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110533783, Length 178 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
1M34.6Very low63.2Low239 Ų23996.7 Ų96.7100%1.17758%0.576SS**  098.50-62-59.9-171.700106.2
2A37.5Very low65.4Low103 Ų10394.4 Ų94.485%0.85156%0.555SS**  trans-100.7101175.900000107.1G4A2-G4 PolarHBondContact O-N 3.06Å
3E41Very low67.4Low200 Ų20092.5 Ų92.594%0.93555%0.545SS*.  trans-66.784.1163.3-70.6175.510700107.4
4G44Very low69.2Low56 Ų5686.1 Ų86.158%0.57751%0.508SS*.  trans-95.399.7175.900000109.1A2 V6A2-G4 PolarHBondContact O-N 3.06Å; G4-V6 PolarHBondContact O-N 2.68Å
5S54.9Low70.7Confident96 Ų9680.5 Ų80.567%0.67148%0.475SS*.  trans-54.2109.9161.3570000107.8S7S5-S7 PolarHBondContact O-N 3.16Å; S5-S7 VanDerWaalsContact O-N 3.07Å
6V66.6Low72.1Confident41 Ų4181.4 Ų81.425%0.24847%0.471CS..  trans-63.7114.3179179.20000107.7G4 V11 A105G4-V6 PolarHBondContact O-N 2.68Å; V6-V11 HydrophobicContact CG1-CG2 4.19Å; V6-A105 HydrophobicContact CG1-CB 3.48Å; V6-A105 VanDerWaalsContact CG1-CB 3.48Å
7S75.4Confident73.2Confident60 Ų6080.7 Ų80.742%0.4246%0.461SS..  trans-72.2138.9-175.970.30000110.8S5 A9 E10S5-S7 PolarHBondContact O-N 3.16Å; S5-S7 VanDerWaalsContact O-N 3.07Å; S7-A9 PolarHBondContact O-N 3.26Å; S7-A9 VanDerWaalsContact O-N 3.09Å; S7-E10 PolarHBondContact O-N 2.99Å
8E79.7Confident74.3Confident109 Ų10976.2 Ų76.251%0.50944%0.435SS..Hα-helixtrans-56.4-27.8179.3-167.4166.9174.500112.2E10 V11 E12 F73E8-E10 PolarHBondContact O-N 3.14Å; E8-V11 PolarHBondContact O-N 2.96Å; E8-E12 WeakPolarHBondContact O-CB 3.46Å; E8-E12 PolarHBondContact O-N 2.91Å; E8-F73 HydrophobicContact CG-CE1 3.88Å; E8-F73 HydrophobicContact CG-CZ 3.78Å; E8-F73 WeakPolarHBondContact OE1-CE1 3.21Å
9A85.1Confident75.2Confident56 Ų5672.3 Ų72.346%0.46341%0.413SS..Hα-helixtrans-62.4-36.317500000113.8S7 E12 T13S7-A9 PolarHBondContact O-N 3.26Å; S7-A9 VanDerWaalsContact O-N 3.09Å; A9-E12 PolarHBondContact O-N 3.09Å; A9-T13 WeakPolarHBondContact O-CB 3.38Å; A9-T13 PolarHBondContact O-N 3.19Å; A9-T13 PolarHBondContact O-OG1 2.77Å
10E87Confident76Confident104 Ų10472.9 Ų72.949%0.48641%0.414SS..Hα-helixtrans-71.2-36.6176.8-67.7-135.795.300111.4S7 E8 T13 A14 A105S7-E10 PolarHBondContact O-N 2.99Å; E8-E10 PolarHBondContact O-N 3.14Å; E10-T13 PolarHBondContact O-N 2.92Å; E10-A14 PolarHBondContact O-N 3.49Å; E10-A105 HydrophobicContact CB-CB 3.93Å
11V89.2Confident76.7Confident0 Ų071.5 Ų71.50%040%0.404CS..Hα-helixtrans-68.3-40.5174.6-178.60000110.4V6 E8 T13 A14 F15 F73 F76 L80 Y101 I104V6-V11 HydrophobicContact CG1-CG2 4.19Å; E8-V11 PolarHBondContact O-N 2.96Å; V11-T13 VanDerWaalsContact C-N 3.31Å; V11-T13 PolarHBondContact O-N 3.34Å; V11-A14 PolarHBondContact O-N 3.41Å; V11-F15 WeakPolarHBondContact O-CB 3.26Å; V11-F15 PolarHBondContact O-N 3.43Å; V11-F73 HydrophobicContact CG1-CE2 4.5Å; V11-F76 HydrophobicContact CG1-CE1 3.84Å; V11-L80 HydrophobicContact CG1-CD1 4.44Å; V11-Y101 HydrophobicContact CG1-CD1 4.32Å; V11-Y101 HydrophobicContact CG2-CD1 4.09Å; V11-Y101 HydrophobicContact CG2-CD2 4.37Å; V11-Y101 HydrophobicContact CG2-CG 3.83Å; V11-I104 HydrophobicContact CG1-CG2 4.14Å
12E90.3Very high79Confident69 Ų6964 Ų6432%0.32239%0.388SS..Hα-helixtrans-63.7-37.9174.6-164-166.9154.500111.7E8 A9 F15 K16 F73E8-E12 WeakPolarHBondContact O-CB 3.46Å; E8-E12 PolarHBondContact O-N 2.91Å; A9-E12 PolarHBondContact O-N 3.09Å; E12-F15 WeakPolarHBondContact O-CB 3.3Å; E12-F15 PolarHBondContact O-N 2.92Å; E12-K16 WeakPolarHBondContact O-CG 3.42Å; E12-K16 PolarHBondContact O-N 2.81Å; E12-K16 WeakPolarHBondContact OE1-CE 3.28Å; E12-K16 IonicContact OE1-NZ 2.68Å; E12-K16 PolarHBondContact OE1-NZ 3.46Å; E12-F73 HydrophobicContact CB-CD2 4.35Å; E12-F73 HydrophobicContact CB-CE1 4.41Å; E12-F73 HydrophobicContact CB-CE2 3.76Å; E12-F73 HydrophobicContact CB-CZ 3.79Å; E12-F73 HydrophobicContact CG-CD1 4.48Å; E12-F73 HydrophobicContact CG-CD2 4.02Å; E12-F73 HydrophobicContact CG-CE1 4.39Å; E12-F73 HydrophobicContact CG-CE2 3.94Å; E12-F73 HydrophobicContact CG-CG 4.29Å; E12-F73 HydrophobicContact CG-CZ 4.13Å
13T91.4Very high81.1Confident70 Ų7062.6 Ų62.643%0.42937%0.366SS..Hα-helixtrans-63.7-45.7175.1-60.30000111.1A9 E10 V11 K16 K17A9-T13 WeakPolarHBondContact O-CB 3.38Å; A9-T13 PolarHBondContact O-N 3.19Å; A9-T13 PolarHBondContact O-OG1 2.77Å; E10-T13 PolarHBondContact O-N 2.92Å; V11-T13 VanDerWaalsContact C-N 3.31Å; V11-T13 PolarHBondContact O-N 3.34Å; T13-K16 PolarHBondContact O-N 3.32Å; T13-K17 WeakPolarHBondContact O-CG 3.47Å; T13-K17 PolarHBondContact O-N 3.46Å
14A91.4Very high82.9Confident2 Ų260.2 Ų60.22%0.01737%0.365CS..Hα-helixtrans-60.8-46.7172.900000110.9E10 V11 K16 K17 F18 I104E10-A14 PolarHBondContact O-N 3.49Å; V11-A14 PolarHBondContact O-N 3.41Å; A14-K16 VanDerWaalsContact C-N 3.33Å; A14-K16 PolarHBondContact O-N 2.99Å; A14-K17 WeakPolarHBondContact O-CB 3.23Å; A14-K17 PolarHBondContact O-N 3.32Å; A14-K17 VanDerWaalsContact O-N 3.09Å; A14-F18 VanDerWaalsContact O-CD2 3.28Å; A14-F18 WeakPolarHBondContact O-CD2 3.37Å; A14-F18 PolarHBondContact O-N 3.45Å; A14-I104 HydrophobicContact CB-CG2 3.95Å; A14-I104 WeakPolarHBondContact CB-O 3.38Å
15F92.6Very high84.7Confident3 Ų366.3 Ų66.31%0.01338%0.376CS..Hα-helixtrans-52.1-49.8176.6173.9-89.9000111.6V11 E12 K17 F18 A19 M31 F73 F76V11-F15 WeakPolarHBondContact O-CB 3.26Å; V11-F15 PolarHBondContact O-N 3.43Å; E12-F15 WeakPolarHBondContact O-CB 3.3Å; E12-F15 PolarHBondContact O-N 2.92Å; F15-K17 VanDerWaalsContact C-N 3.35Å; F15-K17 PolarHBondContact O-N 3.32Å; F15-F18 PolarHBondContact O-N 3.01Å; F15-A19 HydrophobicContact CE1-CB 4.31Å; F15-A19 WeakPolarHBondContact O-CB 3.47Å; F15-A19 PolarHBondContact O-N 3.12Å; F15-M31 HydrophobicContact CB-CE 4.37Å; F15-M31 HydrophobicContact CD2-CB 4.39Å; F15-M31 HydrophobicContact CD2-CE 3.35Å; F15-M31 HydrophobicContact CD2-SD 4.21Å; F15-M31 HydrophobicContact CE2-CB 3.52Å; F15-M31 HydrophobicContact CE2-CE 3.68Å; F15-M31 HydrophobicContact CE2-CG 4.41Å; F15-M31 HydrophobicContact CE2-SD 4.13Å; F15-M31 HydrophobicContact CG-CE 3.9Å; F15-M31 HydrophobicContact CZ-CB 3.68Å; F15-M31 HydrophobicContact CZ-CE 4.46Å; F15-M31 WeakPolarHBondContact O-CE 3.44Å; F15-F73 HydrophobicContact CB-CD2 4.04Å; F15-F73 HydrophobicContact CB-CE2 4.22Å; F15-F73 HydrophobicContact CD1-CD2 4.03Å; F15-F73 HydrophobicContact CD2-CD2 4.16Å; F15-F73 HydrophobicContact CE1-CB 4.3Å; F15-F73 AromaticContact CG-CD2 3.81Å; F15-F73 HydrophobicContact CG-CD2 3.81Å; F15-F73 HydrophobicContact CG-CE2 4.47Å; F15-F73 HydrophobicContact CZ-CB 4.49Å; F15-F76 HydrophobicContact CB-CE1 4.47Å; F15-F76 HydrophobicContact CD2-CB 3.97Å; F15-F76 AromaticContact CD2-CD1 3.76Å; F15-F76 HydrophobicContact CD2-CD1 3.76Å; F15-F76 AromaticContact CD2-CD2 3.8Å; F15-F76 HydrophobicContact CD2-CD2 3.8Å; F15-F76 HydrophobicContact CD2-CE1 4.14Å; F15-F76 HydrophobicContact CD2-CE2 4.2Å; F15-F76 AromaticContact CD2-CG 3.56Å; F15-F76 HydrophobicContact CD2-CG 3.56Å; F15-F76 HydrophobicContact CD2-CZ 4.35Å; F15-F76 HydrophobicContact CE2-CB 3.7Å; F15-F76 HydrophobicContact CE2-CD1 4.37Å; F15-F76 HydrophobicContact CE2-CD2 4.06Å; F15-F76 AromaticContact CE2-CG 3.8Å; F15-F76 HydrophobicContact CE2-CG 3.8Å
16K92.4Very high86.2Confident94 Ų9463.2 Ų63.241%0.40936%0.356SS..Hα-helixtrans-58.3-44.2177.8-75.5171-176.7164.20112.2E12 T13 A14 F18 A19 I20E12-K16 WeakPolarHBondContact O-CG 3.42Å; E12-K16 PolarHBondContact O-N 2.81Å; E12-K16 WeakPolarHBondContact OE1-CE 3.28Å; E12-K16 IonicContact OE1-NZ 2.68Å; E12-K16 PolarHBondContact OE1-NZ 3.46Å; T13-K16 PolarHBondContact O-N 3.32Å; A14-K16 VanDerWaalsContact C-N 3.33Å; A14-K16 PolarHBondContact O-N 2.99Å; K16-F18 PolarHBondContact O-N 2.86Å; K16-A19 PolarHBondContact O-N 2.88Å; K16-I20 WeakPolarHBondContact O-CG1 3.43Å; K16-I20 PolarHBondContact O-N 3.1Å; K16-I20 VanDerWaalsContact O-N 3.15Å
17K91.6Very high87Confident70 Ų7066.5 Ų66.530%0.30438%0.377SS..Hα-helixtrans-61.5-43178.1-69.1178.9-176-175.90112.2T13 A14 F15 E108T13-K17 WeakPolarHBondContact O-CG 3.47Å; T13-K17 PolarHBondContact O-N 3.46Å; A14-K17 WeakPolarHBondContact O-CB 3.23Å; A14-K17 PolarHBondContact O-N 3.32Å; A14-K17 VanDerWaalsContact O-N 3.09Å; F15-K17 VanDerWaalsContact C-N 3.35Å; F15-K17 PolarHBondContact O-N 3.32Å; K17-E108 HydrophobicContact CD-CB 4.44Å; K17-E108 HydrophobicContact CD-CG 3.82Å; K17-E108 WeakPolarHBondContact CD-OE1 3.34Å; K17-E108 WeakPolarHBondContact CE-OE1 3.43Å; K17-E108 IonicContact NZ-OE1 2.76Å; K17-E108 PolarHBondContact NZ-OE1 2.93Å
18F91.9Very high87.5Confident0 Ų063.9 Ų63.90%036%0.359CS..Hα-helixtrans-74-32.4176.1-78.5-86.4000112.4A14 F15 K16 H21 M31 N35 K38 L39 D42 K107 E108 P109A14-F18 VanDerWaalsContact O-CD2 3.28Å; A14-F18 WeakPolarHBondContact O-CD2 3.37Å; A14-F18 PolarHBondContact O-N 3.45Å; F15-F18 PolarHBondContact O-N 3.01Å; K16-F18 PolarHBondContact O-N 2.86Å; F18-H21 VanDerWaalsContact O-CB 3.3Å; F18-H21 WeakPolarHBondContact O-CB 3.33Å; F18-H21 PolarHBondContact O-N 2.63Å; F18-M31 HydrophobicContact CB-CE 3.54Å; F18-N35 WeakPolarHBondContact O-CB 3.42Å; F18-N35 VanDerWaalsContact O-CG 3.31Å; F18-N35 PolarHBondContact O-ND2 3.49Å; F18-K38 HydrophobicContact CD1-CG 4.45Å; F18-K38 HydrophobicContact CE1-CG 4.25Å; F18-L39 HydrophobicContact CB-CB 4.35Å; F18-L39 HydrophobicContact CB-CD1 4.02Å; F18-L39 HydrophobicContact CD1-CB 3.77Å; F18-L39 HydrophobicContact CD1-CG 4.39Å; F18-L39 HydrophobicContact CD2-CB 4.22Å; F18-L39 HydrophobicContact CD2-CD1 3.7Å; F18-L39 HydrophobicContact CD2-CG 3.95Å; F18-L39 HydrophobicContact CE1-CB 4.06Å; F18-L39 HydrophobicContact CE2-CD1 4.34Å; F18-L39 HydrophobicContact CE2-CG 4.16Å; F18-L39 HydrophobicContact CG-CB 3.87Å; F18-L39 HydrophobicContact CG-CD1 3.88Å; F18-L39 HydrophobicContact CG-CG 4.09Å; F18-L39 HydrophobicContact CZ-CB 4.44Å; F18-L39 HydrophobicContact CZ-CG 4.46Å; F18-D42 HydrophobicContact CE1-CB 4.07Å; F18-D42 HydrophobicContact CZ-CB 3.98Å; F18-K107 HydrophobicContact CE2-CB 4.22Å; F18-E108 VanDerWaalsContact CZ-C 3.45Å; F18-P109 HydrophobicContact CD1-CB 3.72Å; F18-P109 HydrophobicContact CD1-CG 4.37Å; F18-P109 VanDerWaalsContact CE1-CA 3.4Å; F18-P109 HydrophobicContact CE1-CB 3.65Å; F18-P109 HydrophobicContact CG-CB 4.41Å; F18-P109 HydrophobicContact CZ-CB 4.27Å
19A92.2Very high88Confident2 Ų266.2 Ų66.22%0.01737%0.367CS..Hα-helixtrans-63.6-44.5-179.800000112F15 K16 H21 E30 M31 N35F15-A19 HydrophobicContact CE1-CB 4.31Å; F15-A19 WeakPolarHBondContact O-CB 3.47Å; F15-A19 PolarHBondContact O-N 3.12Å; K16-A19 PolarHBondContact O-N 2.88Å; A19-H21 VanDerWaalsContact C-N 3.25Å; A19-H21 PolarHBondContact O-N 3.34Å; A19-E30 WeakPolarHBondContact CB-O 3.02Å; A19-M31 HydrophobicContact CB-CB 4.27Å; A19-M31 HydrophobicContact CB-CE 4.31Å; A19-N35 PolarHBondContact O-ND2 3.06Å
20I92Very high88.4Confident83 Ų8368.4 Ų68.443%0.42637%0.368SS..THydrogen-bonded Turntrans-78.7-6.717868.1178.7000113.9K16 G22 D23 A26K16-I20 WeakPolarHBondContact O-CG1 3.43Å; K16-I20 PolarHBondContact O-N 3.1Å; K16-I20 VanDerWaalsContact O-N 3.15Å; I20-G22 PolarHBondContact O-N 3.31Å; I20-D23 PolarHBondContact O-N 3.01Å; I20-A26 HydrophobicContact CG2-CB 4.43Å
21H89.4Confident88.7Confident45 Ų4563.4 Ų63.421%0.20835%0.345CS..THydrogen-bonded Turntrans-66.9120.4-173.1-175.672.2000111.7F18 A19 D23 N35 K38 P109 N111F18-H21 VanDerWaalsContact O-CB 3.3Å; F18-H21 WeakPolarHBondContact O-CB 3.33Å; F18-H21 PolarHBondContact O-N 2.63Å; A19-H21 VanDerWaalsContact C-N 3.25Å; A19-H21 PolarHBondContact O-N 3.34Å; H21-D23 PolarHBondContact O-N 3.23Å; H21-N35 PolarHBondContact O-ND2 3.44Å; H21-N35 PolarHBondContact O-OD1 3.07Å; H21-K38 VanDerWaalsContact NE2-CE 3.32Å; H21-K38 WeakPolarHBondContact NE2-CE 3.4Å; H21-P109 HydrophobicContact CB-CB 4.12Å; H21-P109 HydrophobicContact CB-CG 4Å; H21-P109 WeakPolarHBondContact ND1-CB 3.37Å; H21-N111 PolarHBondContact CE1-OD1 3.4Å; H21-N111 VanDerWaalsContact CE1-OD1 3.22Å
22G83.4Confident88.9Confident82 Ų8265.6 Ų65.685%0.84536%0.356SS*.THydrogen-bonded Turntrans78.10.5177.600000115.2I20I20-G22 PolarHBondContact O-N 3.31Å
23D82.6Confident89Confident73 Ų7363.1 Ų63.139%0.3935%0.349SS..  trans-128.8102.6173.2-171-13.5000110I20 H21 K25 A26I20-D23 PolarHBondContact O-N 3.01Å; H21-D23 PolarHBondContact O-N 3.23Å; D23-K25 PolarHBondContact O-N 3.42Å; D23-K25 VanDerWaalsContact O-N 3.17Å; D23-K25 PolarHBondContact OD1-N 3.03Å; D23-A26 HydrophobicContact CB-CB 3.92Å; D23-A26 WeakPolarHBondContact O-CB 3.47Å; D23-A26 PolarHBondContact O-N 3.28Å
24T77.9Confident89Confident149 Ų14967.9 Ų67.991%0.91436%0.364SS*.THydrogen-bonded Turntrans-69.1-9.4-177.550.90000113.8
25K81.9Confident89.1Confident184 Ų18468 Ų6880%0.836%0.364SS*.THydrogen-bonded Turntrans-100.3-10.1176.4-61.8-178.1-179.3-1790112.9D23D23-K25 PolarHBondContact O-N 3.42Å; D23-K25 VanDerWaalsContact O-N 3.17Å; D23-K25 PolarHBondContact OD1-N 3.03Å
26A85.8Confident89.2Confident32 Ų3267.9 Ų67.926%0.26436%0.364SS..  trans-69.9138.1-178.200000111.2I20 D23I20-A26 HydrophobicContact CG2-CB 4.43Å; D23-A26 HydrophobicContact CB-CB 3.92Å; D23-A26 WeakPolarHBondContact O-CB 3.47Å; D23-A26 PolarHBondContact O-N 3.28Å
27T83.8Confident89.2Confident110 Ų11064.7 Ų64.768%0.67536%0.355SS*.  trans-91.1-2.7-178.154.40000113.4K29T27-K29 PolarHBondContact O-N 2.9Å
28G86.4Confident89.2Confident4 Ų463.4 Ų63.44%0.04135%0.35CS..SBendtrans77.64.1-177.200000114.7
29K90.3Very high89.2Confident158 Ų15863.4 Ų63.469%0.68735%0.35SS*.SBendtrans-78.3-28.3177-64.6-174.5178.9-175.50113.3T27T27-K29 PolarHBondContact O-N 2.9Å
30E93.1Very high89.2Confident102 Ų10263.3 Ų63.348%0.47735%0.349SS..EExtended strand (participates in β ladder)trans-134.7148.2-174.3-57.9177.7120.800110.3A19 V70 I71A19-E30 WeakPolarHBondContact CB-O 3.02Å; E30-V70 HydrophobicContact CB-CB 4.02Å; E30-V70 HydrophobicContact CB-CG2 4.01Å; E30-V70 HydrophobicContact CG-CG2 4.37Å; E30-I71 CarbonylContact C-O 3.56Å; E30-I71 VanDerWaalsContact CA-O 3.29Å; E30-I71 WeakPolarHBondContact CA-O 3.25Å
31M93.3Very high89.2Confident0 Ų065.3 Ų65.30%035%0.354CS..EExtended strand (participates in β ladder)trans-121132.6-178-176.8179-68.700110.9F15 F18 A19 N35 F36 L39 V70 I71 F76F15-M31 HydrophobicContact CB-CE 4.37Å; F15-M31 HydrophobicContact CD2-CB 4.39Å; F15-M31 HydrophobicContact CD2-CE 3.35Å; F15-M31 HydrophobicContact CD2-SD 4.21Å; F15-M31 HydrophobicContact CE2-CB 3.52Å; F15-M31 HydrophobicContact CE2-CE 3.68Å; F15-M31 HydrophobicContact CE2-CG 4.41Å; F15-M31 HydrophobicContact CE2-SD 4.13Å; F15-M31 HydrophobicContact CG-CE 3.9Å; F15-M31 HydrophobicContact CZ-CB 3.68Å; F15-M31 HydrophobicContact CZ-CE 4.46Å; F15-M31 WeakPolarHBondContact O-CE 3.44Å; F18-M31 HydrophobicContact CB-CE 3.54Å; A19-M31 HydrophobicContact CB-CB 4.27Å; A19-M31 HydrophobicContact CB-CE 4.31Å; M31-N35 HydrophobicContact CG-CB 3.87Å; M31-F36 HydrophobicContact CG-CB 4.3Å; M31-F36 VanDerWaalsContact SD-CA 3.54Å; M31-F36 HydrophobicContact SD-CB 3.85Å; M31-F36 HydrophobicContact SD-CD2 4.13Å; M31-L39 HydrophobicContact CE-CD1 3.89Å; M31-L39 HydrophobicContact SD-CD1 4.36Å; M31-V70 CarbonylContact O-C 3.5Å; M31-V70 WeakPolarHBondContact O-CA 3.48Å; M31-I71 HydrophobicContact CB-CG1 4.31Å; M31-I71 PolarHBondContact N-O 2.66Å; M31-I71 PolarHBondContact O-N 2.99Å; M31-F76 HydrophobicContact SD-CD2 4.48Å
32N93Very high89.2Confident45 Ų4565.5 Ų65.524%0.24136%0.357CS..EExtended strand (participates in β ladder)trans-81.5163.1174.269.750.4000112.1K34 N35 F36 V70N32-K34 VanDerWaalsContact C-N 3.3Å; N32-K34 PolarHBondContact O-N 3.33Å; N32-K34 WeakPolarHBondContact OD1-CB 3.37Å; N32-K34 PolarHBondContact OD1-N 2.75Å; N32-K34 VanDerWaalsContact OD1-N 3.11Å; N32-N35 PolarHBondContact ND2-ND2 3.24Å; N32-N35 PolarHBondContact O-N 3.42Å; N32-N35 VanDerWaalsContact O-N 3.17Å; N32-N35 WeakPolarHBondContact OD1-CB 3.42Å; N32-N35 PolarHBondContact OD1-N 2.97Å; N32-F36 PolarHBondContact O-N 3.26Å; N32-V70 HydrophobicContact CB-CG1 4.14Å
33G92.2Very high89.5Confident17 Ų1761.7 Ų61.718%0.17532%0.317CS..Hα-helixtrans-61.8-33.7-177.200000114.1F36 A37 F60G33-F36 PolarHBondContact O-N 2.93Å; G33-A37 WeakPolarHBondContact O-CB 3.46Å; G33-A37 PolarHBondContact O-N 3.06Å; G33-F60 VanDerWaalsContact CA-CE2 3.46Å
34K92.2Very high89.7Confident171 Ų17167.4 Ų67.474%0.74333%0.333SS*.Hα-helixtrans-63.6-44.6175.8177.9-173.1173.2-1730111.2N32 K38N32-K34 VanDerWaalsContact C-N 3.3Å; N32-K34 PolarHBondContact O-N 3.33Å; N32-K34 WeakPolarHBondContact OD1-CB 3.37Å; N32-K34 PolarHBondContact OD1-N 2.75Å; N32-K34 VanDerWaalsContact OD1-N 3.11Å; K34-K38 WeakPolarHBondContact O-CB 3.48Å; K34-K38 PolarHBondContact O-N 3.38Å
35N93Very high90.2Very high4 Ų460.3 Ų60.32%0.02129%0.29CS..Hα-helixtrans-71.9-36.3-179.9-72.5-1.6000111.1F18 A19 H21 M31 N32 K38 L39F18-N35 WeakPolarHBondContact O-CB 3.42Å; F18-N35 VanDerWaalsContact O-CG 3.31Å; F18-N35 PolarHBondContact O-ND2 3.49Å; A19-N35 PolarHBondContact O-ND2 3.06Å; H21-N35 PolarHBondContact O-ND2 3.44Å; H21-N35 PolarHBondContact O-OD1 3.07Å; M31-N35 HydrophobicContact CG-CB 3.87Å; N32-N35 PolarHBondContact ND2-ND2 3.24Å; N32-N35 PolarHBondContact O-N 3.42Å; N32-N35 VanDerWaalsContact O-N 3.17Å; N32-N35 WeakPolarHBondContact OD1-CB 3.42Å; N32-N35 PolarHBondContact OD1-N 2.97Å; N35-K38 WeakPolarHBondContact O-CB 3.21Å; N35-K38 PolarHBondContact O-N 2.9Å; N35-L39 WeakPolarHBondContact O-CB 3.37Å; N35-L39 PolarHBondContact O-N 2.92Å
36F94.3Very high90.6Very high1 Ų153.1 Ų53.10%0.00426%0.26CS..Hα-helixtrans-62.6-48.8171.6-177.6-116.1000111.9M31 N32 G33 K38 L39 C40 V56 F60 I71 F76 A79 L83M31-F36 HydrophobicContact CG-CB 4.3Å; M31-F36 VanDerWaalsContact SD-CA 3.54Å; M31-F36 HydrophobicContact SD-CB 3.85Å; M31-F36 HydrophobicContact SD-CD2 4.13Å; N32-F36 PolarHBondContact O-N 3.26Å; G33-F36 PolarHBondContact O-N 2.93Å; F36-K38 PolarHBondContact O-N 3.07Å; F36-L39 WeakPolarHBondContact O-CB 3.43Å; F36-L39 PolarHBondContact O-N 2.98Å; F36-L39 VanDerWaalsContact O-N 3.14Å; F36-C40 PolarHBondContact O-N 3.24Å; F36-C40 PolarHBondContact O-SG 3.48Å; F36-C40 VanDerWaalsContact O-SG 3.34Å; F36-V56 HydrophobicContact CD1-CG1 3.64Å; F36-V56 HydrophobicContact CE1-CG1 3.52Å; F36-V56 HydrophobicContact CZ-CG1 4.45Å; F36-F60 HydrophobicContact CB-CD2 3.95Å; F36-F60 HydrophobicContact CB-CE2 4.2Å; F36-F60 HydrophobicContact CD1-CB 3.9Å; F36-F60 AromaticContact CD1-CD2 3.64Å; F36-F60 HydrophobicContact CD1-CD2 3.64Å; F36-F60 HydrophobicContact CD1-CG 4.18Å; F36-F60 HydrophobicContact CE1-CB 4.12Å; F36-F60 HydrophobicContact CE1-CD2 4.38Å; F36-F60 AromaticContact CG-CD2 3.95Å; F36-F60 HydrophobicContact CG-CD2 3.95Å; F36-I71 HydrophobicContact CD2-CD1 4.22Å; F36-I71 HydrophobicContact CG-CD1 4.39Å; F36-F76 AromaticContact CD2-CD2 3.64Å; F36-F76 HydrophobicContact CD2-CD2 3.64Å; F36-F76 AromaticContact CD2-CE2 3.72Å; F36-F76 HydrophobicContact CD2-CE2 3.72Å; F36-F76 AromaticContact CE2-CD2 3.51Å; F36-F76 HydrophobicContact CE2-CD2 3.51Å; F36-F76 AromaticContact CE2-CE2 3.56Å; F36-F76 HydrophobicContact CE2-CE2 3.56Å; F36-A79 HydrophobicContact CE1-CB 4.49Å; F36-A79 HydrophobicContact CE2-CB 4.31Å; F36-A79 HydrophobicContact CZ-CB 3.75Å; F36-L83 HydrophobicContact CZ-CD1 4.05Å
37A92.9Very high90.5Very high27 Ų2753.7 Ų53.722%0.22326%0.258CS..Hα-helixtrans-60.4-35.7174.800000112.3G33 K41 V56G33-A37 WeakPolarHBondContact O-CB 3.46Å; G33-A37 PolarHBondContact O-N 3.06Å; A37-K41 WeakPolarHBondContact O-CG 3.49Å; A37-K41 PolarHBondContact O-N 3.17Å; A37-K41 VanDerWaalsContact O-N 3.1Å; A37-V56 HydrophobicContact CB-CG1 4.47Å
38K92Very high90.3Very high43 Ų4351.3 Ų51.319%0.18726%0.256CS..Hα-helixtrans-65.8-45.4173.5-178.3170175.7450111.9F18 H21 K34 N35 F36 C40 K41 D42 S110F18-K38 HydrophobicContact CD1-CG 4.45Å; F18-K38 HydrophobicContact CE1-CG 4.25Å; H21-K38 VanDerWaalsContact NE2-CE 3.32Å; H21-K38 WeakPolarHBondContact NE2-CE 3.4Å; K34-K38 WeakPolarHBondContact O-CB 3.48Å; K34-K38 PolarHBondContact O-N 3.38Å; N35-K38 WeakPolarHBondContact O-CB 3.21Å; N35-K38 PolarHBondContact O-N 2.9Å; F36-K38 PolarHBondContact O-N 3.07Å; K38-C40 VanDerWaalsContact C-N 3.32Å; K38-C40 PolarHBondContact O-N 3.24Å; K38-K41 PolarHBondContact O-N 2.62Å; K38-K41 VanDerWaalsContact O-N 3.16Å; K38-D42 IonicContact NZ-OD1 2.81Å; K38-D42 PolarHBondContact NZ-OD1 3.39Å; K38-D42 IonicContact NZ-OD2 3.17Å; K38-D42 PolarHBondContact NZ-OD2 2.87Å; K38-D42 WeakPolarHBondContact O-CB 3.33Å; K38-D42 PolarHBondContact O-N 3.44Å; K38-S110 PolarHBondContact NZ-O 3.11Å
39L92.7Very high90.1Very high0 Ų059.8 Ų59.80%029%0.292CS..Hα-helixtrans-56.8-47.8174.9-177.1156.6000110.4F18 M31 N35 F36 K41 D42 C43 F76 I104F18-L39 HydrophobicContact CB-CB 4.35Å; F18-L39 HydrophobicContact CB-CD1 4.02Å; F18-L39 HydrophobicContact CD1-CB 3.77Å; F18-L39 HydrophobicContact CD1-CG 4.39Å; F18-L39 HydrophobicContact CD2-CB 4.22Å; F18-L39 HydrophobicContact CD2-CD1 3.7Å; F18-L39 HydrophobicContact CD2-CG 3.95Å; F18-L39 HydrophobicContact CE1-CB 4.06Å; F18-L39 HydrophobicContact CE2-CD1 4.34Å; F18-L39 HydrophobicContact CE2-CG 4.16Å; F18-L39 HydrophobicContact CG-CB 3.87Å; F18-L39 HydrophobicContact CG-CD1 3.88Å; F18-L39 HydrophobicContact CG-CG 4.09Å; F18-L39 HydrophobicContact CZ-CB 4.44Å; F18-L39 HydrophobicContact CZ-CG 4.46Å; M31-L39 HydrophobicContact CE-CD1 3.89Å; M31-L39 HydrophobicContact SD-CD1 4.36Å; N35-L39 WeakPolarHBondContact O-CB 3.37Å; N35-L39 PolarHBondContact O-N 2.92Å; F36-L39 WeakPolarHBondContact O-CB 3.43Å; F36-L39 PolarHBondContact O-N 2.98Å; F36-L39 VanDerWaalsContact O-N 3.14Å; L39-K41 VanDerWaalsContact C-N 3.27Å; L39-K41 PolarHBondContact O-N 3.05Å; L39-D42 PolarHBondContact O-N 3.31Å; L39-C43 WeakPolarHBondContact O-CB 3.29Å; L39-C43 PolarHBondContact O-N 2.75Å; L39-C43 PolarHBondContact O-SG 2.9Å; L39-F76 HydrophobicContact CD1-CE2 3.82Å; L39-F76 HydrophobicContact CD1-CZ 3.84Å; L39-F76 HydrophobicContact CD2-CE2 4.08Å; L39-F76 HydrophobicContact CD2-CZ 4.13Å; L39-I104 HydrophobicContact CD1-CG2 4.39Å; L39-I104 HydrophobicContact CD2-CD1 4.01Å; L39-I104 HydrophobicContact CD2-CG1 4.03Å; L39-I104 HydrophobicContact CD2-CG2 4.21Å
40C91.9Very high89.8Confident0 Ų055 Ų550%027%0.274CS..Hα-helixtrans-64.1-31179.7-62.40000113F36 K38 R44 V45 I46 V56F36-C40 PolarHBondContact O-N 3.24Å; F36-C40 PolarHBondContact O-SG 3.48Å; F36-C40 VanDerWaalsContact O-SG 3.34Å; K38-C40 VanDerWaalsContact C-N 3.32Å; K38-C40 PolarHBondContact O-N 3.24Å; C40-R44 PolarHBondContact O-N 3.11Å; C40-V45 HydrophobicContact CB-CB 4.02Å; C40-V45 HydrophobicContact CB-CG1 4.26Å; C40-V45 WeakPolarHBondContact O-CA 3.34Å; C40-V45 WeakPolarHBondContact O-CB 3.44Å; C40-V45 PolarHBondContact O-N 3.41Å; C40-I46 HydrophobicContact CB-CD1 4.1Å; C40-I46 HydrophobicContact CB-CG1 3.84Å; C40-I46 PolarHBondContact O-N 3.43Å; C40-I46 VanDerWaalsContact O-N 3.09Å; C40-V56 HydrophobicContact CB-CG1 4.15Å; C40-V56 HydrophobicContact CB-CG2 4.01Å
41K90.6Very high89.6Confident125 Ų12550.1 Ų50.154%0.54325%0.251SS..Hα-helixtrans-74-53.1173.5-72.9176.1-175.5179.20112A37 K38 L39 C43 R44 I46A37-K41 WeakPolarHBondContact O-CG 3.49Å; A37-K41 PolarHBondContact O-N 3.17Å; A37-K41 VanDerWaalsContact O-N 3.1Å; K38-K41 PolarHBondContact O-N 2.62Å; K38-K41 VanDerWaalsContact O-N 3.16Å; L39-K41 VanDerWaalsContact C-N 3.27Å; L39-K41 PolarHBondContact O-N 3.05Å; K41-C43 VanDerWaalsContact C-N 3.3Å; K41-C43 PolarHBondContact O-N 3.22Å; K41-R44 PolarHBondContact O-N 3.17Å; K41-I46 HydrophobicContact CG-CD1 3.67Å
42D89.6Confident89.5Confident49 Ų4952.5 Ų52.526%0.26227%0.266SS..Hα-helixtrans-65.5-34.4-175.1-72.39.1000111.4F18 K38 L39 R44 S110F18-D42 HydrophobicContact CE1-CB 4.07Å; F18-D42 HydrophobicContact CZ-CB 3.98Å; K38-D42 IonicContact NZ-OD1 2.81Å; K38-D42 PolarHBondContact NZ-OD1 3.39Å; K38-D42 IonicContact NZ-OD2 3.17Å; K38-D42 PolarHBondContact NZ-OD2 2.87Å; K38-D42 WeakPolarHBondContact O-CB 3.33Å; K38-D42 PolarHBondContact O-N 3.44Å; L39-D42 PolarHBondContact O-N 3.31Å; D42-R44 VanDerWaalsContact C-N 3.3Å; D42-S110 PolarHBondContact OD2-N 2.85Å
43C90.1Very high89.4Confident2 Ų252.8 Ų52.81%0.01427%0.274CS..THydrogen-bonded Turntrans-85.11.7175.8-53.10000113.2L39 K41 V45 I104 K107L39-C43 WeakPolarHBondContact O-CB 3.29Å; L39-C43 PolarHBondContact O-N 2.75Å; L39-C43 PolarHBondContact O-SG 2.9Å; K41-C43 VanDerWaalsContact C-N 3.3Å; K41-C43 PolarHBondContact O-N 3.22Å; C43-V45 HydrophobicContact CB-CG2 4.11Å; C43-V45 PolarHBondContact O-N 2.88Å; C43-I104 HydrophobicContact CB-CG1 3.89Å; C43-K107 HydrophobicContact CB-CG 4.43Å
44R87Confident89.5Confident192 Ų19256.6 Ų56.673%0.72529%0.294SS*.THydrogen-bonded Turntrans57.627.7-177.6-56.6-177.6173.6-179.8-2.5114.7C40 K41 D42 I46 R87C40-R44 PolarHBondContact O-N 3.11Å; K41-R44 PolarHBondContact O-N 3.17Å; D42-R44 VanDerWaalsContact C-N 3.3Å; R44-I46 VanDerWaalsContact C-N 3.25Å; R44-R87 VanDerWaalsContact O-CZ 3.26Å; R44-R87 PolarHBondContact O-NH1 2.85Å; R44-R87 PolarHBondContact O-NH2 3.06Å
45V88.4Confident89.5Confident0 Ų049.9 Ų49.90%027%0.266CS..  trans-66.9-29.5170.3172.40000111.1C40 C43 L83 R87 L100 I104C40-V45 HydrophobicContact CB-CB 4.02Å; C40-V45 HydrophobicContact CB-CG1 4.26Å; C40-V45 WeakPolarHBondContact O-CA 3.34Å; C40-V45 WeakPolarHBondContact O-CB 3.44Å; C40-V45 PolarHBondContact O-N 3.41Å; C43-V45 HydrophobicContact CB-CG2 4.11Å; C43-V45 PolarHBondContact O-N 2.88Å; V45-L83 HydrophobicContact CG1-CD1 4.22Å; V45-R87 PolarHBondContact O-NH1 2.88Å; V45-L100 HydrophobicContact CB-CD1 4.4Å; V45-L100 HydrophobicContact CG1-CD1 3.93Å; V45-L100 HydrophobicContact CG2-CD1 3.94Å; V45-L100 HydrophobicContact CG2-CG 4.35Å; V45-I104 HydrophobicContact CG2-CD1 4.25Å; V45-I104 HydrophobicContact CG2-CG1 4.21Å
46I89.3Confident89.5Confident33 Ų3349.8 Ų49.817%0.16927%0.265CS..  trans-83115.1167.2-56.2-175.4000108.2C40 K41 R44 V51 A53 V56C40-I46 HydrophobicContact CB-CD1 4.1Å; C40-I46 HydrophobicContact CB-CG1 3.84Å; C40-I46 PolarHBondContact O-N 3.43Å; C40-I46 VanDerWaalsContact O-N 3.09Å; K41-I46 HydrophobicContact CG-CD1 3.67Å; R44-I46 VanDerWaalsContact C-N 3.25Å; I46-V51 HydrophobicContact CG1-CG1 4.43Å; I46-V51 VanDerWaalsContact CG2-O 3.25Å; I46-V51 WeakPolarHBondContact CG2-O 3.34Å; I46-A53 HydrophobicContact CD1-CB 4.34Å; I46-V56 HydrophobicContact CD1-CG2 3.91Å; I46-V56 HydrophobicContact CG1-CG2 3.81Å
47D84.6Confident89.4Confident44 Ų4454.2 Ų54.224%0.23529%0.289CS..  trans-93-12.1176.348.7-4000111.6K49 N50 V51 R87D47-K49 PolarHBondContact O-N 3.16Å; D47-K49 PolarHBondContact OD1-N 2.92Å; D47-K49 VanDerWaalsContact OD1-N 3.15Å; D47-N50 VanDerWaalsContact CG-N 3.3Å; D47-N50 PolarHBondContact OD1-N 3.41Å; D47-N50 WeakPolarHBondContact OD2-CB 3.39Å; D47-N50 PolarHBondContact OD2-N 3.27Å; D47-N50 PolarHBondContact OD2-ND2 2.95Å; D47-V51 PolarHBondContact N-O 3.33Å; D47-V51 PolarHBondContact OD1-N 2.86Å; D47-R87 IonicContact OD1-NH1 3.62Å
48G79.3Confident89.5Confident61 Ų6157.4 Ų57.463%0.62930%0.302SS*.SBendtrans67.812.1-170.900000113.1V51G48-V51 PolarHBondContact N-O 3.43Å
49K82.5Confident89.6Confident181 Ų18155.5 Ų55.579%0.78729%0.294SS*.SBendtrans-122.2-59.6178.1-62-177.9-179.1-177.10111.2D47D47-K49 PolarHBondContact O-N 3.16Å; D47-K49 PolarHBondContact OD1-N 2.92Å; D47-K49 VanDerWaalsContact OD1-N 3.15Å
50N84.3Confident89.7Confident58 Ų5856 Ų5631%0.3130%0.296SS..SBendtrans-105.5-33.8-177.3-58.3-78.3000113.1D47 K86 K89D47-N50 VanDerWaalsContact CG-N 3.3Å; D47-N50 PolarHBondContact OD1-N 3.41Å; D47-N50 WeakPolarHBondContact OD2-CB 3.39Å; D47-N50 PolarHBondContact OD2-N 3.27Å; D47-N50 PolarHBondContact OD2-ND2 2.95Å; N50-K86 VanDerWaalsContact CB-O 3.23Å; N50-K86 WeakPolarHBondContact CB-O 3.47Å; N50-K89 WeakPolarHBondContact OD1-CE 3.3Å; N50-K89 PolarHBondContact OD1-NZ 3.29Å
51V88.8Confident89.9Confident0 Ų059.6 Ų59.60%032%0.318CS..SBendtrans-114.3111.6174.9178.10000107.7I46 D47 G48 V56 L83 K86 R87I46-V51 HydrophobicContact CG1-CG1 4.43Å; I46-V51 VanDerWaalsContact CG2-O 3.25Å; I46-V51 WeakPolarHBondContact CG2-O 3.34Å; D47-V51 PolarHBondContact N-O 3.33Å; D47-V51 PolarHBondContact OD1-N 2.86Å; G48-V51 PolarHBondContact N-O 3.43Å; V51-V56 HydrophobicContact CG1-CG2 3.9Å; V51-L83 HydrophobicContact CG1-CD2 3.94Å; V51-K86 HydrophobicContact CG2-CB 4.04Å; V51-R87 HydrophobicContact CG2-CB 3.83Å
52T91.8Very high90Very high50 Ų5060.1 Ų60.131%0.30732%0.32SS..  trans-100.3168.5176.569.90000111.4T54 D55 V56T52-T54 PolarHBondContact O-N 3.11Å; T52-T54 PolarHBondContact OG1-N 3.02Å; T52-D55 WeakPolarHBondContact CB-OD2 3.34Å; T52-D55 PolarHBondContact N-OD2 3.43Å; T52-D55 WeakPolarHBondContact O-CB 3.48Å; T52-D55 PolarHBondContact O-N 3.45Å; T52-D55 VanDerWaalsContact O-N 3.17Å; T52-D55 PolarHBondContact OG1-N 2.89Å; T52-D55 PolarHBondContact OG1-OD2 2.95Å; T52-V56 PolarHBondContact O-N 2.86Å; T52-V56 VanDerWaalsContact O-N 3.17Å
53A90.7Very high90.3Very high50 Ų5058.5 Ų58.541%0.41331%0.312SS..Hα-helixtrans-59.6-33.2173.100000112.2I46 V56 D57I46-A53 HydrophobicContact CD1-CB 4.34Å; A53-V56 PolarHBondContact O-N 2.87Å; A53-D57 PolarHBondContact O-N 3.29Å; A53-D57 VanDerWaalsContact O-N 3.11Å
54T93.1Very high90.5Very high97 Ų9760.4 Ų60.460%0.59532%0.32SS*.Hα-helixtrans-66.6-41.7175.1-48.50000111.4T52 V56 D57 I58T52-T54 PolarHBondContact O-N 3.11Å; T52-T54 PolarHBondContact OG1-N 3.02Å; T54-V56 VanDerWaalsContact C-N 3.3Å; T54-V56 PolarHBondContact O-N 3.11Å; T54-D57 PolarHBondContact O-N 2.78Å; T54-I58 HydrophobicContact CG2-CD1 4.01Å; T54-I58 HydrophobicContact CG2-CG1 4.5Å; T54-I58 VanDerWaalsContact O-CG1 3.26Å; T54-I58 WeakPolarHBondContact O-CG1 3.41Å; T54-I58 PolarHBondContact O-N 3.17Å
55D91.8Very high90.7Very high31 Ų3154 Ų5417%0.16631%0.308CS..Hα-helixtrans-60.2-41.8175.6-71.8-79.2000112.1T52 D57 I58 V59 K86T52-D55 WeakPolarHBondContact CB-OD2 3.34Å; T52-D55 PolarHBondContact N-OD2 3.43Å; T52-D55 WeakPolarHBondContact O-CB 3.48Å; T52-D55 PolarHBondContact O-N 3.45Å; T52-D55 VanDerWaalsContact O-N 3.17Å; T52-D55 PolarHBondContact OG1-N 2.89Å; T52-D55 PolarHBondContact OG1-OD2 2.95Å; D55-D57 VanDerWaalsContact C-N 3.34Å; D55-I58 PolarHBondContact O-N 2.93Å; D55-V59 WeakPolarHBondContact O-CG2 3.23Å; D55-V59 PolarHBondContact O-N 3.45Å; D55-K86 IonicContact OD1-NZ 3.06Å; D55-K86 PolarHBondContact OD1-NZ 3.26Å
56V93.6Very high90.7Very high1 Ų163.7 Ų63.71%0.00635%0.35CS..Hα-helixtrans-62.7-42.8177.5174.50000110.9F36 A37 C40 I46 V51 T52 A53 T54 V59 F60 L83F36-V56 HydrophobicContact CD1-CG1 3.64Å; F36-V56 HydrophobicContact CE1-CG1 3.52Å; F36-V56 HydrophobicContact CZ-CG1 4.45Å; A37-V56 HydrophobicContact CB-CG1 4.47Å; C40-V56 HydrophobicContact CB-CG1 4.15Å; C40-V56 HydrophobicContact CB-CG2 4.01Å; I46-V56 HydrophobicContact CD1-CG2 3.91Å; I46-V56 HydrophobicContact CG1-CG2 3.81Å; V51-V56 HydrophobicContact CG1-CG2 3.9Å; T52-V56 PolarHBondContact O-N 2.86Å; T52-V56 VanDerWaalsContact O-N 3.17Å; A53-V56 PolarHBondContact O-N 2.87Å; T54-V56 VanDerWaalsContact C-N 3.3Å; T54-V56 PolarHBondContact O-N 3.11Å; V56-V59 PolarHBondContact O-N 3.14Å; V56-F60 WeakPolarHBondContact O-CB 3.42Å; V56-F60 PolarHBondContact O-N 3.3Å; V56-L83 HydrophobicContact CG2-CD1 4.48Å; V56-L83 HydrophobicContact CG2-CD2 4.46Å
57D93.4Very high90.7Very high94 Ų9468.4 Ų68.450%0.50338%0.38SS..Hα-helixtrans-67.4-38.4178.2-161.2-96.1000112.5A53 T54 D55 F60 T61A53-D57 PolarHBondContact O-N 3.29Å; A53-D57 VanDerWaalsContact O-N 3.11Å; T54-D57 PolarHBondContact O-N 2.78Å; D55-D57 VanDerWaalsContact C-N 3.34Å; D57-F60 PolarHBondContact O-N 3.34Å; D57-T61 WeakPolarHBondContact O-CB 3.41Å; D57-T61 PolarHBondContact O-N 3.47Å; D57-T61 PolarHBondContact O-OG1 3.44Å
58I94.4Very high91.1Very high95 Ų9567.6 Ų67.649%0.48738%0.38SS..Hα-helixtrans-62.1-49.7173.5-69.5165.5000110.5T54 D55 F60 T61 K62T54-I58 HydrophobicContact CG2-CD1 4.01Å; T54-I58 HydrophobicContact CG2-CG1 4.5Å; T54-I58 VanDerWaalsContact O-CG1 3.26Å; T54-I58 WeakPolarHBondContact O-CG1 3.41Å; T54-I58 PolarHBondContact O-N 3.17Å; D55-I58 PolarHBondContact O-N 2.93Å; I58-F60 PolarHBondContact O-N 2.89Å; I58-T61 PolarHBondContact O-N 2.86Å; I58-K62 WeakPolarHBondContact O-CB 3.38Å; I58-K62 PolarHBondContact O-N 3.35Å
59V94.6Very high91.7Very high3 Ų375 Ų752%0.01839%0.389CS..Hα-helixtrans-62.5-44.6179.6171.10000110.4D55 V56 T61 K62 V63 A79 E82 L83D55-V59 WeakPolarHBondContact O-CG2 3.23Å; D55-V59 PolarHBondContact O-N 3.45Å; V56-V59 PolarHBondContact O-N 3.14Å; V59-T61 VanDerWaalsContact C-N 3.27Å; V59-T61 PolarHBondContact O-N 3.09Å; V59-K62 WeakPolarHBondContact O-CB 3.46Å; V59-K62 PolarHBondContact O-N 3.39Å; V59-K62 VanDerWaalsContact O-N 3.09Å; V59-V63 HydrophobicContact CG1-CG1 4.37Å; V59-V63 WeakPolarHBondContact O-CG2 3.4Å; V59-V63 PolarHBondContact O-N 2.69Å; V59-A79 HydrophobicContact CG1-CB 3.61Å; V59-E82 HydrophobicContact CG1-CB 4.09Å; V59-E82 HydrophobicContact CG2-CB 4.3Å; V59-L83 HydrophobicContact CB-CD2 4.42Å; V59-L83 HydrophobicContact CG1-CG 4.32Å; V59-L83 HydrophobicContact CG2-CD2 3.89Å; V59-L83 HydrophobicContact CG2-CG 4.28Å
60F94.7Very high92.2Very high10 Ų1068.4 Ų68.44%0.04436%0.364CS..Hα-helixtrans-55.7-45.1174.9-177.4-94.1000111.4G33 F36 V56 D57 I58 K62 K64 I71G33-F60 VanDerWaalsContact CA-CE2 3.46Å; F36-F60 HydrophobicContact CB-CD2 3.95Å; F36-F60 HydrophobicContact CB-CE2 4.2Å; F36-F60 HydrophobicContact CD1-CB 3.9Å; F36-F60 AromaticContact CD1-CD2 3.64Å; F36-F60 HydrophobicContact CD1-CD2 3.64Å; F36-F60 HydrophobicContact CD1-CG 4.18Å; F36-F60 HydrophobicContact CE1-CB 4.12Å; F36-F60 HydrophobicContact CE1-CD2 4.38Å; F36-F60 AromaticContact CG-CD2 3.95Å; F36-F60 HydrophobicContact CG-CD2 3.95Å; V56-F60 WeakPolarHBondContact O-CB 3.42Å; V56-F60 PolarHBondContact O-N 3.3Å; D57-F60 PolarHBondContact O-N 3.34Å; I58-F60 PolarHBondContact O-N 2.89Å; F60-K62 VanDerWaalsContact C-N 3.28Å; F60-K62 PolarHBondContact O-N 2.94Å; F60-K64 HydrophobicContact CD1-CD 3.65Å; F60-K64 HydrophobicContact CE1-CD 3.41Å; F60-K64 VanDerWaalsContact CE1-CD 3.41Å; F60-K64 HydrophobicContact CZ-CD 4.25Å; F60-K64 WeakPolarHBondContact O-CB 3.4Å; F60-K64 WeakPolarHBondContact O-CD 3.38Å; F60-K64 VanDerWaalsContact O-CG 3.28Å; F60-K64 WeakPolarHBondContact O-CG 3.35Å; F60-K64 PolarHBondContact O-N 3.15Å; F60-K64 VanDerWaalsContact O-N 3.14Å; F60-I71 HydrophobicContact CD2-CD1 3.83Å; F60-I71 HydrophobicContact CD2-CG1 4.33Å; F60-I71 HydrophobicContact CD2-CG2 3.98Å; F60-I71 HydrophobicContact CE2-CB 4.2Å; F60-I71 HydrophobicContact CE2-CD1 3.77Å; F60-I71 HydrophobicContact CE2-CG1 3.76Å; F60-I71 HydrophobicContact CE2-CG2 3.54Å; F60-I71 HydrophobicContact CZ-CG2 3.92Å
61T94.8Very high92.7Very high75 Ų7565.7 Ų65.746%0.4635%0.349SS..Hα-helixtrans-67.7-29.2179-63.50000113.3D57 I58 V59D57-T61 WeakPolarHBondContact O-CB 3.41Å; D57-T61 PolarHBondContact O-N 3.47Å; D57-T61 PolarHBondContact O-OG1 3.44Å; I58-T61 PolarHBondContact O-N 2.86Å; V59-T61 VanDerWaalsContact C-N 3.27Å; V59-T61 PolarHBondContact O-N 3.09Å
62K94.3Very high93Very high137 Ų13767.9 Ų67.960%0.59636%0.363SS*.Hα-helixtrans-75.8-42.8178.1-173.7-179.7170.4-162.80112.9I58 V59 F60 E82I58-K62 WeakPolarHBondContact O-CB 3.38Å; I58-K62 PolarHBondContact O-N 3.35Å; V59-K62 WeakPolarHBondContact O-CB 3.46Å; V59-K62 PolarHBondContact O-N 3.39Å; V59-K62 VanDerWaalsContact O-N 3.09Å; F60-K62 VanDerWaalsContact C-N 3.28Å; F60-K62 PolarHBondContact O-N 2.94Å; K62-E82 WeakPolarHBondContact CD-OE1 3.32Å; K62-E82 WeakPolarHBondContact CD-OE2 3.44Å; K62-E82 VanDerWaalsContact CE-OE1 3.23Å; K62-E82 WeakPolarHBondContact CE-OE1 3.42Å; K62-E82 IonicContact NZ-OE1 2.81Å; K62-E82 PolarHBondContact NZ-OE1 3.37Å; K62-E82 IonicContact NZ-OE2 3.46Å; K62-E82 PolarHBondContact NZ-OE2 3.39Å
63V94.4Very high93Very high15 Ų1567.2 Ų67.29%0.09136%0.356CS..Hα-helixtrans-81.8-25.2-176.7-58.80000113.4V59 I71 Q75 Q78 A79V59-V63 HydrophobicContact CG1-CG1 4.37Å; V59-V63 WeakPolarHBondContact O-CG2 3.4Å; V59-V63 PolarHBondContact O-N 2.69Å; V63-I71 HydrophobicContact CG2-CG2 4.08Å; V63-Q75 HydrophobicContact CB-CB 4.42Å; V63-Q75 HydrophobicContact CG2-CB 4.36Å; V63-Q75 PolarHBondContact O-NE2 3.3Å; V63-Q78 HydrophobicContact CG1-CB 4.3Å; V63-A79 HydrophobicContact CG1-CB 4.09Å; V63-A79 HydrophobicContact CG2-CB 4Å
64K94.2Very high93.1Very high42 Ų4271.9 Ų71.918%0.18337%0.369CS..SBendtrans-74.4149.2179.576.6-168.7-175.2670110.8F60 A68 I71F60-K64 HydrophobicContact CD1-CD 3.65Å; F60-K64 HydrophobicContact CE1-CD 3.41Å; F60-K64 VanDerWaalsContact CE1-CD 3.41Å; F60-K64 HydrophobicContact CZ-CD 4.25Å; F60-K64 WeakPolarHBondContact O-CB 3.4Å; F60-K64 WeakPolarHBondContact O-CD 3.38Å; F60-K64 VanDerWaalsContact O-CG 3.28Å; F60-K64 WeakPolarHBondContact O-CG 3.35Å; F60-K64 PolarHBondContact O-N 3.15Å; F60-K64 VanDerWaalsContact O-N 3.14Å; K64-A68 WeakPolarHBondContact CD-O 3.46Å; K64-A68 PolarHBondContact NZ-O 3.26Å; K64-I71 HydrophobicContact CB-CG2 3.54Å
65A91.8Very high93.1Very high56 Ų5669.3 Ų69.346%0.46335%0.35SS..PPolyproline II helixtrans-60149.6171.500000111.2T67 A68A65-T67 PolarHBondContact O-N 3.39Å; A65-A68 HydrophobicContact CB-CB 4.03Å; A65-A68 VanDerWaalsContact O-CB 3.3Å; A65-A68 WeakPolarHBondContact O-CB 3.45Å; A65-A68 PolarHBondContact O-N 2.82Å
66K89.4Confident93.2Very high205 Ų20567.9 Ų67.989%0.89134%0.342SS*.THydrogen-bonded Turntrans-54.4130.8176.7-164.8173.2-176.1178.50109.1A68K66-A68 PolarHBondContact O-N 3.23Å; K66-A68 VanDerWaalsContact O-N 3.16Å
67T89.2Confident93.1Very high131 Ų13168.7 Ų68.780%0.80435%0.348SS*.THydrogen-bonded Turntrans73.5-14.9-176.3-45.70000116.1A65A65-T67 PolarHBondContact O-N 3.39Å
68A91.4Very high93Very high28 Ų2869.4 Ų69.423%0.23135%0.349CS..  trans-64.9147.6176.800000112K64 A65 K66K64-A68 WeakPolarHBondContact CD-O 3.46Å; K64-A68 PolarHBondContact NZ-O 3.26Å; A65-A68 HydrophobicContact CB-CB 4.03Å; A65-A68 VanDerWaalsContact O-CB 3.3Å; A65-A68 WeakPolarHBondContact O-CB 3.45Å; A65-A68 PolarHBondContact O-N 2.82Å; K66-A68 PolarHBondContact O-N 3.23Å; K66-A68 VanDerWaalsContact O-N 3.16Å
69R91.7Very high92.9Very high216 Ų21664.9 Ų64.982%0.81533%0.325SS*.SBendtrans-105.3-4.4176.7-65.7-177.7178.7160.2-0.4113.2
70V93.5Very high92.7Very high43 Ų4364.7 Ų64.726%0.26132%0.324SS..EExtended strand (participates in β ladder)trans-135161-174.8-60.90000110.2E30 M31 N32E30-V70 HydrophobicContact CB-CB 4.02Å; E30-V70 HydrophobicContact CB-CG2 4.01Å; E30-V70 HydrophobicContact CG-CG2 4.37Å; M31-V70 CarbonylContact O-C 3.5Å; M31-V70 WeakPolarHBondContact O-CA 3.48Å; N32-V70 HydrophobicContact CB-CG1 4.14Å
71I94.3Very high92.5Very high1 Ų166.8 Ų66.81%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-125.2148.6173.663.2177.6000110.4E30 M31 F36 F60 V63 K64 Q75 F76E30-I71 CarbonylContact C-O 3.56Å; E30-I71 VanDerWaalsContact CA-O 3.29Å; E30-I71 WeakPolarHBondContact CA-O 3.25Å; M31-I71 HydrophobicContact CB-CG1 4.31Å; M31-I71 PolarHBondContact N-O 2.66Å; M31-I71 PolarHBondContact O-N 2.99Å; F36-I71 HydrophobicContact CD2-CD1 4.22Å; F36-I71 HydrophobicContact CG-CD1 4.39Å; F60-I71 HydrophobicContact CD2-CD1 3.83Å; F60-I71 HydrophobicContact CD2-CG1 4.33Å; F60-I71 HydrophobicContact CD2-CG2 3.98Å; F60-I71 HydrophobicContact CE2-CB 4.2Å; F60-I71 HydrophobicContact CE2-CD1 3.77Å; F60-I71 HydrophobicContact CE2-CG1 3.76Å; F60-I71 HydrophobicContact CE2-CG2 3.54Å; F60-I71 HydrophobicContact CZ-CG2 3.92Å; V63-I71 HydrophobicContact CG2-CG2 4.08Å; K64-I71 HydrophobicContact CB-CG2 3.54Å; I71-Q75 VanDerWaalsContact CA-OE1 3.29Å; I71-Q75 HydrophobicContact CB-CB 3.93Å; I71-Q75 HydrophobicContact CG2-CB 4.39Å; I71-F76 HydrophobicContact CD1-CB 4Å; I71-F76 HydrophobicContact CD1-CD2 4.38Å
72T95.1Very high92.3Very high46 Ų4666 Ų6628%0.28233%0.331SS..EExtended strand (participates in β ladder)trans-81.9172.1171.764.10000111.2E74 Q75 F76T72-E74 VanDerWaalsContact C-N 3.3Å; T72-E74 PolarHBondContact O-N 2.81Å; T72-Q75 PolarHBondContact O-N 3.47Å; T72-F76 WeakPolarHBondContact O-CB 3.42Å; T72-F76 PolarHBondContact O-N 3.26Å
73F92.4Very high92.1Very high36 Ų3659.4 Ų59.416%0.15830%0.303CS..Hα-helixtrans-59.8-38.7175.5-176-107.6000112.6E8 V11 E12 F15 Q75 F76 S77E8-F73 HydrophobicContact CG-CE1 3.88Å; E8-F73 HydrophobicContact CG-CZ 3.78Å; E8-F73 WeakPolarHBondContact OE1-CE1 3.21Å; V11-F73 HydrophobicContact CG1-CE2 4.5Å; E12-F73 HydrophobicContact CB-CD2 4.35Å; E12-F73 HydrophobicContact CB-CE1 4.41Å; E12-F73 HydrophobicContact CB-CE2 3.76Å; E12-F73 HydrophobicContact CB-CZ 3.79Å; E12-F73 HydrophobicContact CG-CD1 4.48Å; E12-F73 HydrophobicContact CG-CD2 4.02Å; E12-F73 HydrophobicContact CG-CE1 4.39Å; E12-F73 HydrophobicContact CG-CE2 3.94Å; E12-F73 HydrophobicContact CG-CG 4.29Å; E12-F73 HydrophobicContact CG-CZ 4.13Å; F15-F73 HydrophobicContact CB-CD2 4.04Å; F15-F73 HydrophobicContact CB-CE2 4.22Å; F15-F73 HydrophobicContact CD1-CD2 4.03Å; F15-F73 HydrophobicContact CD2-CD2 4.16Å; F15-F73 HydrophobicContact CE1-CB 4.3Å; F15-F73 AromaticContact CG-CD2 3.81Å; F15-F73 HydrophobicContact CG-CD2 3.81Å; F15-F73 HydrophobicContact CG-CE2 4.47Å; F15-F73 HydrophobicContact CZ-CB 4.49Å; F73-Q75 PolarHBondContact O-N 2.83Å; F73-F76 HydrophobicContact CD2-CD1 4.08Å; F73-F76 HydrophobicContact CE2-CD1 4.06Å; F73-F76 HydrophobicContact CE2-CE1 4.39Å; F73-F76 WeakPolarHBondContact O-CB 3.41Å; F73-F76 PolarHBondContact O-N 3.15Å; F73-F76 VanDerWaalsContact O-N 3.16Å; F73-S77 PolarHBondContact O-N 3.22Å; F73-S77 PolarHBondContact O-OG 3.3Å
74E92.4Very high91.8Very high148 Ų14858.7 Ų58.769%0.69230%0.298SS*.Hα-helixtrans-61.8-45.2177.2-63180105.200112T72 F76 S77 Q78T72-E74 VanDerWaalsContact C-N 3.3Å; T72-E74 PolarHBondContact O-N 2.81Å; E74-F76 VanDerWaalsContact C-N 3.29Å; E74-F76 PolarHBondContact O-N 3.46Å; E74-S77 PolarHBondContact O-N 2.94Å; E74-Q78 WeakPolarHBondContact O-CG 3.41Å; E74-Q78 PolarHBondContact O-N 3.39Å
75Q93.8Very high91.4Very high43 Ų4359.5 Ų59.520%0.20131%0.308CS..Hα-helixtrans-67.2-31.9175.8-72.3172.6-21.300112.1V63 I71 T72 F73 Q78 A79V63-Q75 HydrophobicContact CB-CB 4.42Å; V63-Q75 HydrophobicContact CG2-CB 4.36Å; V63-Q75 PolarHBondContact O-NE2 3.3Å; I71-Q75 VanDerWaalsContact CA-OE1 3.29Å; I71-Q75 HydrophobicContact CB-CB 3.93Å; I71-Q75 HydrophobicContact CG2-CB 4.39Å; T72-Q75 PolarHBondContact O-N 3.47Å; F73-Q75 PolarHBondContact O-N 2.83Å; Q75-Q78 PolarHBondContact O-N 3.3Å; Q75-A79 WeakPolarHBondContact O-CB 3.46Å; Q75-A79 PolarHBondContact O-N 3.03Å
76F93.7Very high91.1Very high0 Ų060.6 Ų60.60%030%0.302CS..Hα-helixtrans-65.6-45.7172.7170.5-95.8000111.8V11 F15 M31 F36 L39 I71 T72 F73 E74 Q78 A79 L80 I104V11-F76 HydrophobicContact CG1-CE1 3.84Å; F15-F76 HydrophobicContact CB-CE1 4.47Å; F15-F76 HydrophobicContact CD2-CB 3.97Å; F15-F76 AromaticContact CD2-CD1 3.76Å; F15-F76 HydrophobicContact CD2-CD1 3.76Å; F15-F76 AromaticContact CD2-CD2 3.8Å; F15-F76 HydrophobicContact CD2-CD2 3.8Å; F15-F76 HydrophobicContact CD2-CE1 4.14Å; F15-F76 HydrophobicContact CD2-CE2 4.2Å; F15-F76 AromaticContact CD2-CG 3.56Å; F15-F76 HydrophobicContact CD2-CG 3.56Å; F15-F76 HydrophobicContact CD2-CZ 4.35Å; F15-F76 HydrophobicContact CE2-CB 3.7Å; F15-F76 HydrophobicContact CE2-CD1 4.37Å; F15-F76 HydrophobicContact CE2-CD2 4.06Å; F15-F76 AromaticContact CE2-CG 3.8Å; F15-F76 HydrophobicContact CE2-CG 3.8Å; M31-F76 HydrophobicContact SD-CD2 4.48Å; F36-F76 AromaticContact CD2-CD2 3.64Å; F36-F76 HydrophobicContact CD2-CD2 3.64Å; F36-F76 AromaticContact CD2-CE2 3.72Å; F36-F76 HydrophobicContact CD2-CE2 3.72Å; F36-F76 AromaticContact CE2-CD2 3.51Å; F36-F76 HydrophobicContact CE2-CD2 3.51Å; F36-F76 AromaticContact CE2-CE2 3.56Å; F36-F76 HydrophobicContact CE2-CE2 3.56Å; L39-F76 HydrophobicContact CD1-CE2 3.82Å; L39-F76 HydrophobicContact CD1-CZ 3.84Å; L39-F76 HydrophobicContact CD2-CE2 4.08Å; L39-F76 HydrophobicContact CD2-CZ 4.13Å; I71-F76 HydrophobicContact CD1-CB 4Å; I71-F76 HydrophobicContact CD1-CD2 4.38Å; T72-F76 WeakPolarHBondContact O-CB 3.42Å; T72-F76 PolarHBondContact O-N 3.26Å; F73-F76 HydrophobicContact CD2-CD1 4.08Å; F73-F76 HydrophobicContact CE2-CD1 4.06Å; F73-F76 HydrophobicContact CE2-CE1 4.39Å; F73-F76 WeakPolarHBondContact O-CB 3.41Å; F73-F76 PolarHBondContact O-N 3.15Å; F73-F76 VanDerWaalsContact O-N 3.16Å; E74-F76 VanDerWaalsContact C-N 3.29Å; E74-F76 PolarHBondContact O-N 3.46Å; F76-Q78 VanDerWaalsContact C-N 3.29Å; F76-Q78 PolarHBondContact O-N 3.42Å; F76-A79 WeakPolarHBondContact O-CB 3.4Å; F76-A79 PolarHBondContact O-N 3.09Å; F76-A79 VanDerWaalsContact O-N 3.12Å; F76-L80 HydrophobicContact CD1-CD1 4.04Å; F76-L80 HydrophobicContact CE1-CD1 3.37Å; F76-L80 HydrophobicContact CE1-CG 4.13Å; F76-L80 HydrophobicContact CE2-CD1 4.34Å; F76-L80 HydrophobicContact CE2-CD2 4.42Å; F76-L80 HydrophobicContact CE2-CG 4.39Å; F76-L80 HydrophobicContact CZ-CD1 3.56Å; F76-L80 HydrophobicContact CZ-CD2 4.26Å; F76-L80 HydrophobicContact CZ-CG 4.08Å; F76-L80 WeakPolarHBondContact O-CG 3.42Å; F76-L80 PolarHBondContact O-N 3.25Å; F76-I104 HydrophobicContact CZ-CD1 4.43Å
77S91.1Very high90.7Very high19 Ų1953.1 Ų53.113%0.13327%0.268CS..Hα-helixtrans-60.7-39.6174.3-62.10000111.5F73 E74 L80 S81F73-S77 PolarHBondContact O-N 3.22Å; F73-S77 PolarHBondContact O-OG 3.3Å; E74-S77 PolarHBondContact O-N 2.94Å; S77-L80 PolarHBondContact O-N 2.8Å; S77-S81 PolarHBondContact O-N 3.47Å
78Q92.1Very high90.4Very high108 Ų10849 Ų4951%0.50524%0.24SC..Hα-helixtrans-61.7-45171.7-70.8175.4-1.400112V63 E74 Q75 F76 L80 S81 E82V63-Q78 HydrophobicContact CG1-CB 4.3Å; E74-Q78 WeakPolarHBondContact O-CG 3.41Å; E74-Q78 PolarHBondContact O-N 3.39Å; Q75-Q78 PolarHBondContact O-N 3.3Å; F76-Q78 VanDerWaalsContact C-N 3.29Å; F76-Q78 PolarHBondContact O-N 3.42Å; Q78-L80 VanDerWaalsContact C-N 3.28Å; Q78-L80 PolarHBondContact O-N 3.44Å; Q78-S81 WeakPolarHBondContact O-CB 3.1Å; Q78-S81 PolarHBondContact O-N 2.99Å; Q78-S81 VanDerWaalsContact O-N 3.1Å; Q78-S81 PolarHBondContact O-OG 2.97Å; Q78-E82 PolarHBondContact O-N 2.82Å
79A92.9Very high89.8Confident0 Ų054.9 Ų54.90%026%0.26CS..Hα-helixtrans-59.3-39.9176.400000112.2F36 V59 V63 Q75 F76 S81 E82 L83F36-A79 HydrophobicContact CE1-CB 4.49Å; F36-A79 HydrophobicContact CE2-CB 4.31Å; F36-A79 HydrophobicContact CZ-CB 3.75Å; V59-A79 HydrophobicContact CG1-CB 3.61Å; V63-A79 HydrophobicContact CG1-CB 4.09Å; V63-A79 HydrophobicContact CG2-CB 4Å; Q75-A79 WeakPolarHBondContact O-CB 3.46Å; Q75-A79 PolarHBondContact O-N 3.03Å; F76-A79 WeakPolarHBondContact O-CB 3.4Å; F76-A79 PolarHBondContact O-N 3.09Å; F76-A79 VanDerWaalsContact O-N 3.12Å; A79-S81 VanDerWaalsContact C-N 3.35Å; A79-E82 PolarHBondContact O-N 2.93Å; A79-L83 WeakPolarHBondContact O-CG 3.36Å; A79-L83 PolarHBondContact O-N 2.95Å
80L90.4Very high89Confident0 Ų048.9 Ų48.90%027%0.265CS..Hα-helixtrans-65.2-38.2175.6-69.2-175.1000111.9V11 F76 S77 Q78 E82 L83 A84 L97 L100 Y101 I104V11-L80 HydrophobicContact CG1-CD1 4.44Å; F76-L80 HydrophobicContact CD1-CD1 4.04Å; F76-L80 HydrophobicContact CE1-CD1 3.37Å; F76-L80 HydrophobicContact CE1-CG 4.13Å; F76-L80 HydrophobicContact CE2-CD1 4.34Å; F76-L80 HydrophobicContact CE2-CD2 4.42Å; F76-L80 HydrophobicContact CE2-CG 4.39Å; F76-L80 HydrophobicContact CZ-CD1 3.56Å; F76-L80 HydrophobicContact CZ-CD2 4.26Å; F76-L80 HydrophobicContact CZ-CG 4.08Å; F76-L80 WeakPolarHBondContact O-CG 3.42Å; F76-L80 PolarHBondContact O-N 3.25Å; S77-L80 PolarHBondContact O-N 2.8Å; Q78-L80 VanDerWaalsContact C-N 3.28Å; Q78-L80 PolarHBondContact O-N 3.44Å; L80-E82 VanDerWaalsContact C-N 3.3Å; L80-E82 PolarHBondContact O-N 3.01Å; L80-L83 PolarHBondContact O-N 3.18Å; L80-A84 WeakPolarHBondContact O-CB 3.38Å; L80-A84 PolarHBondContact O-N 3.07Å; L80-L97 HydrophobicContact CB-CD2 4.49Å; L80-L100 HydrophobicContact CB-CD2 3.83Å; L80-L100 HydrophobicContact CD2-CD2 3.58Å; L80-L100 HydrophobicContact CD2-CG 4.37Å; L80-L100 HydrophobicContact CG-CD2 4.2Å; L80-L100 WeakPolarHBondContact O-CD2 3.44Å; L80-Y101 HydrophobicContact CB-CE1 4.2Å; L80-Y101 HydrophobicContact CD1-CD1 3.88Å; L80-Y101 HydrophobicContact CD1-CE1 3.51Å; L80-I104 HydrophobicContact CD1-CD1 3.65Å; L80-I104 HydrophobicContact CD2-CD1 3.59Å; L80-I104 HydrophobicContact CG-CD1 4.32Å
81S90.1Very high88.4Confident54 Ų5451.5 Ų51.538%0.37827%0.273SS..Hα-helixtrans-63.6-33173.779.50000113.4S77 Q78 A79 P85 L97S77-S81 PolarHBondContact O-N 3.47Å; Q78-S81 WeakPolarHBondContact O-CB 3.1Å; Q78-S81 PolarHBondContact O-N 2.99Å; Q78-S81 VanDerWaalsContact O-N 3.1Å; Q78-S81 PolarHBondContact O-OG 2.97Å; A79-S81 VanDerWaalsContact C-N 3.35Å; S81-P85 WeakPolarHBondContact O-CD 3.46Å; S81-L97 VanDerWaalsContact CA-CD2 3.5Å
82E90.8Very high87.6Confident57 Ų5753.8 Ų53.827%0.26630%0.297SS..Hα-helixtrans-75.6-32174.1-68.1-150.5-14300113.1V59 K62 Q78 A79 L80V59-E82 HydrophobicContact CG1-CB 4.09Å; V59-E82 HydrophobicContact CG2-CB 4.3Å; K62-E82 WeakPolarHBondContact CD-OE1 3.32Å; K62-E82 WeakPolarHBondContact CD-OE2 3.44Å; K62-E82 VanDerWaalsContact CE-OE1 3.23Å; K62-E82 WeakPolarHBondContact CE-OE1 3.42Å; K62-E82 IonicContact NZ-OE1 2.81Å; K62-E82 PolarHBondContact NZ-OE1 3.37Å; K62-E82 IonicContact NZ-OE2 3.46Å; K62-E82 PolarHBondContact NZ-OE2 3.39Å; Q78-E82 PolarHBondContact O-N 2.82Å; A79-E82 PolarHBondContact O-N 2.93Å; L80-E82 VanDerWaalsContact C-N 3.3Å; L80-E82 PolarHBondContact O-N 3.01Å
83L89Confident86.7Confident0 Ų058.9 Ų58.90%032%0.317CS..Hα-helixtrans-79.9-30.8179.2-71.2173.4000113.1F36 V45 V51 V56 V59 A79 L80 K86 R87 L100F36-L83 HydrophobicContact CZ-CD1 4.05Å; V45-L83 HydrophobicContact CG1-CD1 4.22Å; V51-L83 HydrophobicContact CG1-CD2 3.94Å; V56-L83 HydrophobicContact CG2-CD1 4.48Å; V56-L83 HydrophobicContact CG2-CD2 4.46Å; V59-L83 HydrophobicContact CB-CD2 4.42Å; V59-L83 HydrophobicContact CG1-CG 4.32Å; V59-L83 HydrophobicContact CG2-CD2 3.89Å; V59-L83 HydrophobicContact CG2-CG 4.28Å; A79-L83 WeakPolarHBondContact O-CG 3.36Å; A79-L83 PolarHBondContact O-N 2.95Å; L80-L83 PolarHBondContact O-N 3.18Å; L83-K86 PolarHBondContact O-N 2.99Å; L83-R87 WeakPolarHBondContact O-CB 3.46Å; L83-R87 PolarHBondContact O-N 3.15Å; L83-L100 HydrophobicContact CB-CD2 4.4Å
84A87.8Confident86.1Confident0 Ų064.4 Ų64.40%034%0.344CS..Hα-helixtrans-54.7-52.3-178.200000114.3L80 K86 R87 F88 T96 L97 L100L80-A84 WeakPolarHBondContact O-CB 3.38Å; L80-A84 PolarHBondContact O-N 3.07Å; A84-K86 VanDerWaalsContact C-N 3.32Å; A84-K86 PolarHBondContact O-N 2.89Å; A84-R87 PolarHBondContact O-N 3.39Å; A84-F88 PolarHBondContact O-N 3.29Å; A84-T96 WeakPolarHBondContact CB-OG1 3.44Å; A84-L97 HydrophobicContact CB-CD2 3.94Å; A84-L97 HydrophobicContact CB-CG 3.95Å; A84-L100 HydrophobicContact CB-CD2 4.43Å
85P86.4Confident85.7Confident59 Ų5961.8 Ų61.838%0.38333%0.332SS..Hα-helixtrans-70.4-28.3179.727.9-35.7000112.7S81S81-P85 WeakPolarHBondContact O-CD 3.46Å
86K85.9Confident85.3Confident79 Ų7959.9 Ų59.934%0.34332%0.323SS..Hα-helixtrans-66.9-41.9173.3-76.6-171.5170.5-170.90110.9N50 V51 D55 L83 A84N50-K86 VanDerWaalsContact CB-O 3.23Å; N50-K86 WeakPolarHBondContact CB-O 3.47Å; V51-K86 HydrophobicContact CG2-CB 4.04Å; D55-K86 IonicContact OD1-NZ 3.06Å; D55-K86 PolarHBondContact OD1-NZ 3.26Å; L83-K86 PolarHBondContact O-N 2.99Å; A84-K86 VanDerWaalsContact C-N 3.32Å; A84-K86 PolarHBondContact O-N 2.89Å
87R81.8Confident84.9Confident47 Ų4761.7 Ų61.718%0.17733%0.332CS..Hα-helixtrans-73.3-44.5-177.5-179.255.4-177.7-121-3.7112.9R44 V45 D47 V51 L83 A84R44-R87 VanDerWaalsContact O-CZ 3.26Å; R44-R87 PolarHBondContact O-NH1 2.85Å; R44-R87 PolarHBondContact O-NH2 3.06Å; V45-R87 PolarHBondContact O-NH1 2.88Å; D47-R87 IonicContact OD1-NH1 3.62Å; V51-R87 HydrophobicContact CG2-CB 3.83Å; L83-R87 WeakPolarHBondContact O-CB 3.46Å; L83-R87 PolarHBondContact O-N 3.15Å; A84-R87 PolarHBondContact O-N 3.39Å
88F82.8Confident84.6Confident46 Ų4665.4 Ų65.420%0.20235%0.348CS..SBendtrans-118.975.4-172.7-61.9-72.2000109.9A84 G90 K91 T96 Q99 L100 L103A84-F88 PolarHBondContact O-N 3.29Å; F88-G90 PolarHBondContact O-N 2.83Å; F88-K91 HydrophobicContact CB-CD 4.33Å; F88-T96 HydrophobicContact CB-CG2 3.38Å; F88-T96 HydrophobicContact CD2-CG2 4.4Å; F88-T96 HydrophobicContact CG-CG2 4.25Å; F88-Q99 HydrophobicContact CE2-CB 3.93Å; F88-Q99 HydrophobicContact CZ-CB 4.01Å; F88-L100 HydrophobicContact CE2-CD1 4.19Å; F88-L103 HydrophobicContact CZ-CD1 4.32Å
89K78.7Confident84.3Confident151 Ų15163.2 Ų63.266%0.65734%0.337SS*.THydrogen-bonded Turntrans-63.3135.2178.6-64.3177.2179162.40110.5N50N50-K89 WeakPolarHBondContact OD1-CE 3.3Å; N50-K89 PolarHBondContact OD1-NZ 3.29Å
90G74.6Confident84Confident90 Ų9063.2 Ų63.293%0.92834%0.337SS*.THydrogen-bonded Turntrans85.99.8172.400000116F88F88-G90 PolarHBondContact O-N 2.83Å
91K79.3Confident83.9Confident98 Ų9865 Ų6543%0.42634%0.344SS..SBendtrans-110.8160.9173.5-71.7-178.7168.4-141.80111.3F88 E95 T96 Q99F88-K91 HydrophobicContact CB-CD 4.33Å; K91-E95 WeakPolarHBondContact CD-OE1 3.48Å; K91-E95 IonicContact NZ-OE1 2.68Å; K91-E95 PolarHBondContact NZ-OE1 3.02Å; K91-T96 HydrophobicContact CB-CG2 3.42Å; K91-T96 VanDerWaalsContact CB-CG2 3.42Å; K91-T96 HydrophobicContact CD-CG2 4.38Å; K91-Q99 VanDerWaalsContact NZ-OE1 3.08Å
92G79.2Confident83.7Confident49 Ų4964.3 Ų64.351%0.50535%0.346SS..  trans-63.8140.5175.400000111.9E94 E95 T96G92-E94 VanDerWaalsContact C-N 3.3Å; G92-E94 PolarHBondContact O-N 3.16Å; G92-E95 PolarHBondContact O-N 3.3Å; G92-T96 WeakPolarHBondContact O-CG2 3.33Å; G92-T96 PolarHBondContact O-N 3.38Å
93Q76.3Confident83.5Confident152 Ų15264.3 Ų64.371%0.7135%0.348SS*.Hα-helixtrans-53.1-44.5-174.6-74.4-178.1-18.700112.7T96 L97Q93-T96 PolarHBondContact O-N 3.39Å; Q93-T96 PolarHBondContact O-OG1 3.48Å; Q93-L97 PolarHBondContact O-N 2.77Å
94E79.7Confident83.5Confident153 Ų15364.3 Ų64.372%0.71535%0.348SS*.Hα-helixtrans-62.4-42.9177.1-99174.475.200113.5G92 T96 L97 Q98G92-E94 VanDerWaalsContact C-N 3.3Å; G92-E94 PolarHBondContact O-N 3.16Å; E94-T96 VanDerWaalsContact C-N 3.33Å; E94-T96 PolarHBondContact O-N 3.26Å; E94-L97 PolarHBondContact O-N 3.24Å; E94-Q98 WeakPolarHBondContact O-CG 3.48Å; E94-Q98 PolarHBondContact O-N 3.1Å
95E82.6Confident83.5Confident93 Ų9365.3 Ų65.344%0.43536%0.356SS..Hα-helixtrans-65.7-39.6179.6-165.3-166.6108.600110.9K91 G92 L97 Q98 Q99K91-E95 WeakPolarHBondContact CD-OE1 3.48Å; K91-E95 IonicContact NZ-OE1 2.68Å; K91-E95 PolarHBondContact NZ-OE1 3.02Å; G92-E95 PolarHBondContact O-N 3.3Å; E95-L97 VanDerWaalsContact C-N 3.35Å; E95-Q98 PolarHBondContact O-N 3.09Å; E95-Q99 WeakPolarHBondContact O-CB 3.2Å; E95-Q99 WeakPolarHBondContact O-CG 3.46Å; E95-Q99 PolarHBondContact O-N 3.32Å; E95-Q99 PolarHBondContact OE1-NE2 2.9Å
96T85.8Confident83.3Confident2 Ų265.1 Ų65.11%0.01237%0.365CS..Hα-helixtrans-67-37178.661.30000112.6A84 F88 K91 G92 Q93 E94 L100A84-T96 WeakPolarHBondContact CB-OG1 3.44Å; F88-T96 HydrophobicContact CB-CG2 3.38Å; F88-T96 HydrophobicContact CD2-CG2 4.4Å; F88-T96 HydrophobicContact CG-CG2 4.25Å; K91-T96 HydrophobicContact CB-CG2 3.42Å; K91-T96 VanDerWaalsContact CB-CG2 3.42Å; K91-T96 HydrophobicContact CD-CG2 4.38Å; G92-T96 WeakPolarHBondContact O-CG2 3.33Å; G92-T96 PolarHBondContact O-N 3.38Å; Q93-T96 PolarHBondContact O-N 3.39Å; Q93-T96 PolarHBondContact O-OG1 3.48Å; E94-T96 VanDerWaalsContact C-N 3.33Å; E94-T96 PolarHBondContact O-N 3.26Å; T96-L100 WeakPolarHBondContact O-CB 3.46Å; T96-L100 PolarHBondContact O-N 3.14Å
97L85.1Confident83.3Confident38 Ų3866 Ų6620%0.19937%0.369CS..Hα-helixtrans-65.9-46.9174.9-89.5173000111.4L80 S81 A84 Q93 E94 E95 Q99 L100 Y101L80-L97 HydrophobicContact CB-CD2 4.49Å; S81-L97 VanDerWaalsContact CA-CD2 3.5Å; A84-L97 HydrophobicContact CB-CD2 3.94Å; A84-L97 HydrophobicContact CB-CG 3.95Å; Q93-L97 PolarHBondContact O-N 2.77Å; E94-L97 PolarHBondContact O-N 3.24Å; E95-L97 VanDerWaalsContact C-N 3.35Å; L97-Q99 VanDerWaalsContact C-N 3.32Å; L97-Q99 PolarHBondContact O-N 3Å; L97-L100 WeakPolarHBondContact O-CB 3.28Å; L97-L100 PolarHBondContact O-N 3.39Å; L97-L100 VanDerWaalsContact O-N 3.11Å; L97-Y101 PolarHBondContact O-N 3.05Å
98Q85.3Confident83.6Confident98 Ų9869.3 Ų69.346%0.45839%0.386SS..Hα-helixtrans-62.4-39.8176.8-73.4-175.2-7.300112.2E94 E95 L100 Y101 G102E94-Q98 WeakPolarHBondContact O-CG 3.48Å; E94-Q98 PolarHBondContact O-N 3.1Å; E95-Q98 PolarHBondContact O-N 3.09Å; Q98-L100 VanDerWaalsContact C-N 3.3Å; Q98-L100 PolarHBondContact O-N 2.89Å; Q98-Y101 PolarHBondContact O-N 3.16Å; Q98-G102 PolarHBondContact O-N 3.17Å
99Q85.6Confident83.7Confident62 Ų6268.5 Ų68.529%0.2939%0.386SS..Hα-helixtrans-62-39.3173.6-77170.410.700111.6F88 K91 E95 L97 G102 L103F88-Q99 HydrophobicContact CE2-CB 3.93Å; F88-Q99 HydrophobicContact CZ-CB 4.01Å; K91-Q99 VanDerWaalsContact NZ-OE1 3.08Å; E95-Q99 WeakPolarHBondContact O-CB 3.2Å; E95-Q99 WeakPolarHBondContact O-CG 3.46Å; E95-Q99 PolarHBondContact O-N 3.32Å; E95-Q99 PolarHBondContact OE1-NE2 2.9Å; L97-Q99 VanDerWaalsContact C-N 3.32Å; L97-Q99 PolarHBondContact O-N 3Å; Q99-G102 PolarHBondContact O-N 3.41Å; Q99-L103 WeakPolarHBondContact O-CG 3.31Å; Q99-L103 PolarHBondContact O-N 3.31Å
100L86.3Confident83.8Confident0 Ų064.7 Ų64.70%038%0.378CS..Hα-helixtrans-67.2-42.8176.3-154.474.9000111.9V45 L80 L83 A84 F88 T96 L97 Q98 G102 L103 I104V45-L100 HydrophobicContact CB-CD1 4.4Å; V45-L100 HydrophobicContact CG1-CD1 3.93Å; V45-L100 HydrophobicContact CG2-CD1 3.94Å; V45-L100 HydrophobicContact CG2-CG 4.35Å; L80-L100 HydrophobicContact CB-CD2 3.83Å; L80-L100 HydrophobicContact CD2-CD2 3.58Å; L80-L100 HydrophobicContact CD2-CG 4.37Å; L80-L100 HydrophobicContact CG-CD2 4.2Å; L80-L100 WeakPolarHBondContact O-CD2 3.44Å; L83-L100 HydrophobicContact CB-CD2 4.4Å; A84-L100 HydrophobicContact CB-CD2 4.43Å; F88-L100 HydrophobicContact CE2-CD1 4.19Å; T96-L100 WeakPolarHBondContact O-CB 3.46Å; T96-L100 PolarHBondContact O-N 3.14Å; L97-L100 WeakPolarHBondContact O-CB 3.28Å; L97-L100 PolarHBondContact O-N 3.39Å; L97-L100 VanDerWaalsContact O-N 3.11Å; Q98-L100 VanDerWaalsContact C-N 3.3Å; Q98-L100 PolarHBondContact O-N 2.89Å; L100-G102 VanDerWaalsContact C-N 3.32Å; L100-G102 PolarHBondContact O-N 3.04Å; L100-L103 WeakPolarHBondContact O-CB 3.2Å; L100-L103 PolarHBondContact O-N 3.37Å; L100-L103 VanDerWaalsContact O-N 3.15Å; L100-I104 HydrophobicContact CG-CD1 4.43Å; L100-I104 WeakPolarHBondContact O-CG1 3.21Å; L100-I104 PolarHBondContact O-N 3.2Å
101Y88.9Confident83.6Confident36 Ų3665.2 Ų65.214%0.14136%0.359CS..Hα-helixtrans-60.9-41.6174.2-71.8-6000111.4V11 L80 L97 Q98 L103 I104 A105V11-Y101 HydrophobicContact CG1-CD1 4.32Å; V11-Y101 HydrophobicContact CG2-CD1 4.09Å; V11-Y101 HydrophobicContact CG2-CD2 4.37Å; V11-Y101 HydrophobicContact CG2-CG 3.83Å; L80-Y101 HydrophobicContact CB-CE1 4.2Å; L80-Y101 HydrophobicContact CD1-CD1 3.88Å; L80-Y101 HydrophobicContact CD1-CE1 3.51Å; L97-Y101 PolarHBondContact O-N 3.05Å; Q98-Y101 PolarHBondContact O-N 3.16Å; Y101-L103 PolarHBondContact O-N 3.17Å; Y101-I104 PolarHBondContact O-N 3.22Å; Y101-A105 WeakPolarHBondContact O-CB 3.4Å; Y101-A105 PolarHBondContact O-N 3.4Å
102G86.1Confident82.8Confident41 Ų4164.8 Ų64.842%0.42337%0.374SS..Hα-helixtrans-63.3-25.5175.400000114.5Q98 Q99 L100Q98-G102 PolarHBondContact O-N 3.17Å; Q99-G102 PolarHBondContact O-N 3.41Å; L100-G102 VanDerWaalsContact C-N 3.32Å; L100-G102 PolarHBondContact O-N 3.04Å
103L86.8Confident81.8Confident57 Ų5766.7 Ų66.730%0.29839%0.394SS..Hα-helixtrans-76.1-28.1173.2-69.3174.4000112.9F88 Q99 L100 Y101 K107F88-L103 HydrophobicContact CZ-CD1 4.32Å; Q99-L103 WeakPolarHBondContact O-CG 3.31Å; Q99-L103 PolarHBondContact O-N 3.31Å; L100-L103 WeakPolarHBondContact O-CB 3.2Å; L100-L103 PolarHBondContact O-N 3.37Å; L100-L103 VanDerWaalsContact O-N 3.15Å; Y101-L103 PolarHBondContact O-N 3.17Å; L103-K107 WeakPolarHBondContact O-CG 3.46Å
104I88.3Confident81Confident0 Ų063.6 Ų63.60%039%0.385CS..Hα-helixtrans-95.1-36.1-173.9-62.7166.3000111.4V11 A14 L39 C43 V45 F76 L80 L100 Y101 G106 K107V11-I104 HydrophobicContact CG1-CG2 4.14Å; A14-I104 HydrophobicContact CB-CG2 3.95Å; A14-I104 WeakPolarHBondContact CB-O 3.38Å; L39-I104 HydrophobicContact CD1-CG2 4.39Å; L39-I104 HydrophobicContact CD2-CD1 4.01Å; L39-I104 HydrophobicContact CD2-CG1 4.03Å; L39-I104 HydrophobicContact CD2-CG2 4.21Å; C43-I104 HydrophobicContact CB-CG1 3.89Å; V45-I104 HydrophobicContact CG2-CD1 4.25Å; V45-I104 HydrophobicContact CG2-CG1 4.21Å; F76-I104 HydrophobicContact CZ-CD1 4.43Å; L80-I104 HydrophobicContact CD1-CD1 3.65Å; L80-I104 HydrophobicContact CD2-CD1 3.59Å; L80-I104 HydrophobicContact CG-CD1 4.32Å; L100-I104 HydrophobicContact CG-CD1 4.43Å; L100-I104 WeakPolarHBondContact O-CG1 3.21Å; L100-I104 PolarHBondContact O-N 3.2Å; Y101-I104 PolarHBondContact O-N 3.22Å; I104-G106 PolarHBondContact O-N 2.73Å; I104-K107 VanDerWaalsContact O-CB 3.31Å; I104-K107 WeakPolarHBondContact O-CB 3.32Å; I104-K107 PolarHBondContact O-N 3.15Å
105A87.8Confident79.9Confident20 Ų2062.4 Ų62.417%0.16539%0.389CS..THydrogen-bonded Turntrans-55.2133.8179.200000111.2V6 E10 Y101 K107V6-A105 HydrophobicContact CG1-CB 3.48Å; V6-A105 VanDerWaalsContact CG1-CB 3.48Å; E10-A105 HydrophobicContact CB-CB 3.93Å; Y101-A105 WeakPolarHBondContact O-CB 3.4Å; Y101-A105 PolarHBondContact O-N 3.4Å; A105-K107 PolarHBondContact O-N 2.81Å; A105-K107 VanDerWaalsContact O-N 3.16Å
106G82.4Confident78.8Confident56 Ų5667.4 Ų67.458%0.57741%0.409SS*.THydrogen-bonded Turntrans69.92.3-178.500000115.7I104I104-G106 PolarHBondContact O-N 2.73Å
107K86.8Confident77.6Confident97 Ų9773.5 Ų73.542%0.42245%0.445SS..  trans-81.2151176-66.4-64.5-174-170.60112.4F18 C43 L103 I104 A105F18-K107 HydrophobicContact CE2-CB 4.22Å; C43-K107 HydrophobicContact CB-CG 4.43Å; L103-K107 WeakPolarHBondContact O-CG 3.46Å; I104-K107 VanDerWaalsContact O-CB 3.31Å; I104-K107 WeakPolarHBondContact O-CB 3.32Å; I104-K107 PolarHBondContact O-N 3.15Å; A105-K107 PolarHBondContact O-N 2.81Å; A105-K107 VanDerWaalsContact O-N 3.16Å
108E86.8Confident76.3Confident117 Ų11775 Ų7555%0.54746%0.463SS..  trans-132.6149.1179.1-50.2-167.310800109.4K17 F18 S110K17-E108 HydrophobicContact CD-CB 4.44Å; K17-E108 HydrophobicContact CD-CG 3.82Å; K17-E108 WeakPolarHBondContact CD-OE1 3.34Å; K17-E108 WeakPolarHBondContact CE-OE1 3.43Å; K17-E108 IonicContact NZ-OE1 2.76Å; K17-E108 PolarHBondContact NZ-OE1 2.93Å; F18-E108 VanDerWaalsContact CZ-C 3.45Å; E108-S110 PolarHBondContact O-N 3.46Å; E108-S110 VanDerWaalsContact O-N 3.11Å
109P86.1Confident75.1Confident29 Ų2979.4 Ų79.419%0.18848%0.481CS..  trans-62.3115.817824.1-33.1000110.6F18 H21F18-P109 HydrophobicContact CD1-CB 3.72Å; F18-P109 HydrophobicContact CD1-CG 4.37Å; F18-P109 VanDerWaalsContact CE1-CA 3.4Å; F18-P109 HydrophobicContact CE1-CB 3.65Å; F18-P109 HydrophobicContact CG-CB 4.41Å; F18-P109 HydrophobicContact CZ-CB 4.27Å; H21-P109 HydrophobicContact CB-CB 4.12Å; H21-P109 HydrophobicContact CB-CG 4Å; H21-P109 WeakPolarHBondContact ND1-CB 3.37Å
110S80.3Confident74.3Confident70 Ų7078.4 Ų78.449%0.4948%0.483SS..  trans-94.3128.5-178.2-175.70000111.3K38 D42 E108 A112K38-S110 PolarHBondContact NZ-O 3.11Å; D42-S110 PolarHBondContact OD2-N 2.85Å; E108-S110 PolarHBondContact O-N 3.46Å; E108-S110 VanDerWaalsContact O-N 3.11Å; S110-A112 VanDerWaalsContact C-N 3.29Å; S110-A112 PolarHBondContact O-N 2.68Å; S110-A112 VanDerWaalsContact O-N 3.15Å
111N70.2Confident73.5Confident101 Ų10182.2 Ų82.254%0.5452%0.515SS..  trans-8866.3175.2-76.1-13.5000110.3H21 G113 V114H21-N111 PolarHBondContact CE1-OD1 3.4Å; H21-N111 VanDerWaalsContact CE1-OD1 3.22Å; N111-G113 PolarHBondContact O-N 3.48Å; N111-V114 HydrophobicContact CB-CB 4.24Å; N111-V114 HydrophobicContact CB-CG2 3.66Å
112A62.4Low72.8Confident90 Ų9083.7 Ų83.774%0.74453%0.534SS*.THydrogen-bonded Turntrans-69.4128.3174.700000110.5S110S110-A112 VanDerWaalsContact C-N 3.29Å; S110-A112 PolarHBondContact O-N 2.68Å; S110-A112 VanDerWaalsContact O-N 3.15Å
113G58.9Low72.3Confident89 Ų8985.1 Ų85.192%0.91854%0.535SS*.THydrogen-bonded Turntrans81.36176.500000115.8N111N111-G113 PolarHBondContact O-N 3.48Å
114V59.8Low71.9Confident87 Ų8787.3 Ų87.353%0.52755%0.547SS..  trans-73.7135.8172.8-178.10000109.3N111 K116N111-V114 HydrophobicContact CB-CB 4.24Å; N111-V114 HydrophobicContact CB-CG2 3.66Å; V114-K116 PolarHBondContact O-N 3.17Å
115T56.2Low71.5Confident128 Ų12895.8 Ų95.879%0.78558%0.579SS**  trans-54.5110170.145.70000108.3V117T115-V117 PolarHBondContact O-N 3.33Å
116K59Low71.1Confident198 Ų198101 Ų10186%0.86160%0.603SS**  trans-54129.1172.1-66.3-177.5-179.9-179.20106.9V114 A118V114-K116 PolarHBondContact O-N 3.17Å; K116-A118 PolarHBondContact O-N 3.42Å
117V59.9Low71.1Confident129 Ų129102.6 Ų102.678%0.78260%0.602SS**  trans-52119170.9177.60000106.2T115 K119T115-V117 PolarHBondContact O-N 3.33Å; V117-K119 VanDerWaalsContact C-N 3.3Å; V117-K119 PolarHBondContact O-N 3.34Å
118A59.3Low71.1Confident69 Ų69100 Ų10057%0.5759%0.592SS**  trans-63.898.4176.200000106.9K116 A120K116-A118 PolarHBondContact O-N 3.42Å; A118-A120 PolarHBondContact O-N 3.21Å
119K58.8Low71.1Confident192 Ų19295.8 Ų95.884%0.83558%0.575SS**  trans-72.850.6167.1-68.1-172.6177.8-177.20109.5V117 A121V117-K119 VanDerWaalsContact C-N 3.3Å; V117-K119 PolarHBondContact O-N 3.34Å; K119-A121 PolarHBondContact O-N 2.97Å
120A68.9Low71.1Confident41 Ų4199.6 Ų99.634%0.33960%0.597SS.*  trans-77.3115170.600000105.7A118 A122 V123 D124A118-A120 PolarHBondContact O-N 3.21Å; A120-A122 PolarHBondContact O-N 3.34Å; A120-V123 HydrophobicContact CB-CG2 4Å; A120-V123 WeakPolarHBondContact O-CB 3.29Å; A120-V123 PolarHBondContact O-N 3.2Å; A120-D124 PolarHBondContact O-N 3.38Å
121A69.9Low71.4Confident79 Ų79102.2 Ų102.265%0.65360%0.6SS**Hα-helixtrans-51.5-24.2174.900000112.5K119 R125K119-A121 PolarHBondContact O-N 2.97Å; A121-R125 WeakPolarHBondContact O-CB 3.39Å; A121-R125 PolarHBondContact O-N 3.4Å
122A73.6Confident72.2Confident67 Ų67100.1 Ų100.155%0.55459%0.586SS**Hα-helixtrans-63.5-40.7171.700000113.4A120 R125 L126A120-A122 PolarHBondContact O-N 3.34Å; A122-R125 PolarHBondContact O-N 3.22Å; A122-L126 WeakPolarHBondContact O-CB 2.76Å; A122-L126 PolarHBondContact O-N 3.08Å
123V75.7Confident73.4Confident71 Ų71101.4 Ų101.443%0.4359%0.585SS.*Hα-helixtrans-68.3-48178.5176.80000109.7A120 R125 L126 T127A120-V123 HydrophobicContact CB-CG2 4Å; A120-V123 WeakPolarHBondContact O-CB 3.29Å; A120-V123 PolarHBondContact O-N 3.2Å; V123-R125 VanDerWaalsContact C-N 3.25Å; V123-R125 PolarHBondContact O-N 3.32Å; V123-L126 PolarHBondContact O-N 3.48Å; V123-T127 HydrophobicContact CG1-CG2 4.31Å; V123-T127 PolarHBondContact O-N 3.44Å; V123-T127 PolarHBondContact O-OG1 3.47Å
124D79.4Confident74.7Confident103 Ų10399.9 Ų99.955%0.55157%0.569SS**Hα-helixtrans-57.1-40.8176.1-70.2-16.7000111.4A120 D128A120-D124 PolarHBondContact O-N 3.38Å; D124-D128 WeakPolarHBondContact O-CB 3.26Å; D124-D128 PolarHBondContact O-N 3.26Å
125R79.9Confident75.8Confident178 Ų17899.5 Ų99.567%0.67258%0.575SS**Hα-helixtrans-65.7-37.6174.5-166.2-175.182.2168.34.6112.6A121 A122 V123A121-R125 WeakPolarHBondContact O-CB 3.39Å; A121-R125 PolarHBondContact O-N 3.4Å; A122-R125 PolarHBondContact O-N 3.22Å; V123-R125 VanDerWaalsContact C-N 3.25Å; V123-R125 PolarHBondContact O-N 3.32Å
126L79.4Confident77.2Confident130 Ų13097 Ų9768%0.68155%0.554SS**Hα-helixtrans-75.7-27.1-177.4-135.797.2000112.6A122 V123A122-L126 WeakPolarHBondContact O-CB 2.76Å; A122-L126 PolarHBondContact O-N 3.08Å; V123-L126 PolarHBondContact O-N 3.48Å
127T82.1Confident78.6Confident89 Ų8993.5 Ų93.555%0.54654%0.539SS..Hα-helixtrans-102.23.1-17758.90000114V123 T129V123-T127 HydrophobicContact CG1-CG2 4.31Å; V123-T127 PolarHBondContact O-N 3.44Å; V123-T127 PolarHBondContact O-OG1 3.47Å; T127-T129 PolarHBondContact O-N 3.3Å; T127-T129 VanDerWaalsContact O-N 3.17Å
128D85.9Confident79.9Confident42 Ų4292.6 Ų92.623%0.22553%0.526CS..  trans-74.9101.2177.9-177-3.3000111.2D124 T130 K131D124-D128 WeakPolarHBondContact O-CB 3.26Å; D124-D128 PolarHBondContact O-N 3.26Å; D128-T130 VanDerWaalsContact CG-OG1 3.3Å; D128-T130 PolarHBondContact O-N 3.45Å; D128-T130 VanDerWaalsContact OD1-CB 3.32Å; D128-T130 WeakPolarHBondContact OD1-CB 3.3Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.37Å; D128-T130 PolarHBondContact OD1-N 2.85Å; D128-T130 PolarHBondContact OD1-OG1 3.49Å; D128-T130 PolarHBondContact OD2-OG1 2.62Å; D128-K131 HydrophobicContact CB-CD 4.3Å; D128-K131 HydrophobicContact CB-CG 4.49Å; D128-K131 PolarHBondContact O-N 3.33Å; D128-K131 WeakPolarHBondContact OD2-CE 3.29Å; D128-K131 IonicContact OD2-NZ 2.72Å; D128-K131 PolarHBondContact OD2-NZ 3.42Å
129T87.6Confident81.4Confident30 Ų3093.9 Ų93.918%0.18452%0.516CS..G310 helixtrans-66.8-20-17956.70000113.2T127 K131 F132 F140 G144T127-T129 PolarHBondContact O-N 3.3Å; T127-T129 VanDerWaalsContact O-N 3.17Å; T129-K131 PolarHBondContact O-N 2.79Å; T129-F132 HydrophobicContact CG2-CD2 4.21Å; T129-F132 HydrophobicContact CG2-CE2 3.85Å; T129-F132 WeakPolarHBondContact O-CB 3.44Å; T129-F132 PolarHBondContact O-N 2.81Å; T129-F140 HydrophobicContact CG2-CD1 3.73Å; T129-F140 HydrophobicContact CG2-CD2 4.31Å; T129-F140 HydrophobicContact CG2-CE1 3.92Å; T129-F140 HydrophobicContact CG2-CG 3.94Å; T129-F140 HydrophobicContact CG2-CZ 4.31Å; T129-G144 WeakPolarHBondContact OG1-CA 3.35Å
130T85.4Confident82.9Confident108 Ų10887 Ų8766%0.66349%0.487SS*.G310 helixtrans-69.6-23.6179.572.10000112.3D128 F132D128-T130 VanDerWaalsContact CG-OG1 3.3Å; D128-T130 PolarHBondContact O-N 3.45Å; D128-T130 VanDerWaalsContact OD1-CB 3.32Å; D128-T130 WeakPolarHBondContact OD1-CB 3.3Å; D128-T130 WeakPolarHBondContact OD1-CG2 3.37Å; D128-T130 PolarHBondContact OD1-N 2.85Å; D128-T130 PolarHBondContact OD1-OG1 3.49Å; D128-T130 PolarHBondContact OD2-OG1 2.62Å; T130-F132 VanDerWaalsContact C-N 3.34Å
131K86.8Confident83.7Confident125 Ų12587.8 Ų87.854%0.54349%0.485SS..G310 helixtrans-84.6-7.1177.3-68.1179.8178.3118.20113.3D128 T129D128-K131 HydrophobicContact CB-CD 4.3Å; D128-K131 HydrophobicContact CB-CG 4.49Å; D128-K131 PolarHBondContact O-N 3.33Å; D128-K131 WeakPolarHBondContact OD2-CE 3.29Å; D128-K131 IonicContact OD2-NZ 2.72Å; D128-K131 PolarHBondContact OD2-NZ 3.42Å; T129-K131 PolarHBondContact O-N 2.79Å
132F87.4Confident84.4Confident58 Ų5893.7 Ų93.725%0.25450%0.499SS..  trans-72.4136174.2-62.1-28.1000110.6T129 T130 H136 K137 F140T129-F132 HydrophobicContact CG2-CD2 4.21Å; T129-F132 HydrophobicContact CG2-CE2 3.85Å; T129-F132 WeakPolarHBondContact O-CB 3.44Å; T129-F132 PolarHBondContact O-N 2.81Å; T130-F132 VanDerWaalsContact C-N 3.34Å; F132-H136 HydrophobicContact CB-CB 4.33Å; F132-H136 AromaticContact CD2-CE1 3.85Å; F132-H136 AromaticContact CD2-ND1 3.28Å; F132-H136 VanDerWaalsContact CD2-ND1 3.28Å; F132-H136 WeakPolarHBondContact CD2-ND1 3.37Å; F132-H136 AromaticContact CE2-CE1 3.78Å; F132-H136 AromaticContact CE2-ND1 3.69Å; F132-H136 AromaticContact CG-ND1 3.47Å; F132-H136 WeakPolarHBondContact CG-ND1 3.44Å; F132-K137 WeakPolarHBondContact O-CB 3.15Å; F132-F140 AromaticContact CD2-CD2 3.86Å; F132-F140 HydrophobicContact CD2-CD2 3.86Å; F132-F140 AromaticContact CD2-CE2 3.5Å; F132-F140 HydrophobicContact CD2-CE2 3.5Å; F132-F140 HydrophobicContact CD2-CZ 4.22Å; F132-F140 HydrophobicContact CE2-CD2 4.33Å; F132-F140 AromaticContact CE2-CE2 3.66Å; F132-F140 HydrophobicContact CE2-CE2 3.66Å; F132-F140 AromaticContact CE2-CZ 3.9Å; F132-F140 HydrophobicContact CE2-CZ 3.9Å
133T87.7Confident85Confident117 Ų11796.2 Ų96.272%0.71851%0.508SS*.  trans-120.4168-178.460.70000110.9H136T133-H136 PolarHBondContact O-N 3.12Å
134G86.7Confident85.3Confident56 Ų5693.9 Ų93.958%0.57750%0.498SS*.G310 helixtrans57.8-145.3-179.700000113H136 K137G134-H136 PolarHBondContact O-N 2.96Å; G134-K137 WeakPolarHBondContact O-CB 3.38Å; G134-K137 PolarHBondContact O-N 2.99Å
135A83.1Confident85.7Confident79 Ų7996 Ų9665%0.65350%0.503SS*.G310 helixtrans-60.7-18.3-178.100000114.3
136H84.8Confident86.2Confident76 Ų7689.9 Ų89.935%0.35249%0.494SS..G310 helixtrans-78.4-24.3177.4-150.6-93.7000112.4F132 T133 G134 R139 F140F132-H136 HydrophobicContact CB-CB 4.33Å; F132-H136 AromaticContact CD2-CE1 3.85Å; F132-H136 AromaticContact CD2-ND1 3.28Å; F132-H136 VanDerWaalsContact CD2-ND1 3.28Å; F132-H136 WeakPolarHBondContact CD2-ND1 3.37Å; F132-H136 AromaticContact CE2-CE1 3.78Å; F132-H136 AromaticContact CE2-ND1 3.69Å; F132-H136 AromaticContact CG-ND1 3.47Å; F132-H136 WeakPolarHBondContact CG-ND1 3.44Å; T133-H136 PolarHBondContact O-N 3.12Å; G134-H136 PolarHBondContact O-N 2.96Å; H136-R139 WeakPolarHBondContact O-CB 3.08Å; H136-R139 PolarHBondContact O-N 3.17Å; H136-F140 AromaticContact CE1-CE2 3.6Å; H136-F140 AromaticContact ND1-CE2 3.65Å; H136-F140 VanDerWaalsContact O-CD2 3.31Å; H136-F140 WeakPolarHBondContact O-CD2 3.08Å; H136-F140 WeakPolarHBondContact O-CE2 3.48Å
137K88.4Confident86.5Confident124 Ų12488.2 Ų88.254%0.53948%0.482SS..THydrogen-bonded Turntrans-65.7-43.6173.8-169.7179.1177.3-176.70111.3F132 G134 R139 F140F132-K137 WeakPolarHBondContact O-CB 3.15Å; G134-K137 WeakPolarHBondContact O-CB 3.38Å; G134-K137 PolarHBondContact O-N 2.99Å; K137-R139 PolarHBondContact O-N 3.05Å; K137-F140 PolarHBondContact O-N 3.28Å; K137-F140 VanDerWaalsContact O-N 3.15Å
138E88.3Confident86.8Confident110 Ų11085.9 Ų85.951%0.51448%0.475SS..THydrogen-bonded Turntrans-62.6-17.9-179-60.1-51119.400113.4F140 K147 G151E138-F140 PolarHBondContact O-N 2.82Å; E138-K147 WeakPolarHBondContact O-CD 3.33Å; E138-G151 CarbonylContact C-O 3.5Å; E138-G151 WeakPolarHBondContact O-CA 3.45Å
139R89Confident86.6Confident96 Ų9690.3 Ų90.336%0.36249%0.492SS..THydrogen-bonded Turntrans-72.5-15178.3-66177178.5-160.6-4.6113.8H136 K137 G146 K147 G151 R152H136-R139 WeakPolarHBondContact O-CB 3.08Å; H136-R139 PolarHBondContact O-N 3.17Å; K137-R139 PolarHBondContact O-N 3.05Å; R139-G146 CarbonylContact O-C 3.56Å; R139-G146 VanDerWaalsContact O-CA 3.29Å; R139-G146 WeakPolarHBondContact O-CA 3.41Å; R139-K147 PolarHBondContact O-N 2.98Å; R139-G151 WeakPolarHBondContact CG-O 3.4Å; R139-G151 PolarHBondContact N-O 3.17Å; R139-R152 HydrophobicContact CG-CG 4.23Å
140F90.2Very high86.5Confident49 Ų4992.3 Ų92.322%0.21551%0.512CS..BIsolated β-bridgetrans-123.2154.3-175.2-55.9-88.2000111.8T129 F132 H136 K137 E138 G144 K145 K147T129-F140 HydrophobicContact CG2-CD1 3.73Å; T129-F140 HydrophobicContact CG2-CD2 4.31Å; T129-F140 HydrophobicContact CG2-CE1 3.92Å; T129-F140 HydrophobicContact CG2-CG 3.94Å; T129-F140 HydrophobicContact CG2-CZ 4.31Å; F132-F140 AromaticContact CD2-CD2 3.86Å; F132-F140 HydrophobicContact CD2-CD2 3.86Å; F132-F140 AromaticContact CD2-CE2 3.5Å; F132-F140 HydrophobicContact CD2-CE2 3.5Å; F132-F140 HydrophobicContact CD2-CZ 4.22Å; F132-F140 HydrophobicContact CE2-CD2 4.33Å; F132-F140 AromaticContact CE2-CE2 3.66Å; F132-F140 HydrophobicContact CE2-CE2 3.66Å; F132-F140 AromaticContact CE2-CZ 3.9Å; F132-F140 HydrophobicContact CE2-CZ 3.9Å; H136-F140 AromaticContact CE1-CE2 3.6Å; H136-F140 AromaticContact ND1-CE2 3.65Å; H136-F140 VanDerWaalsContact O-CD2 3.31Å; H136-F140 WeakPolarHBondContact O-CD2 3.08Å; H136-F140 WeakPolarHBondContact O-CE2 3.48Å; K137-F140 PolarHBondContact O-N 3.28Å; K137-F140 VanDerWaalsContact O-N 3.15Å; E138-F140 PolarHBondContact O-N 2.82Å; F140-G144 WeakPolarHBondContact CD1-O 3.48Å; F140-K145 CarbonylContact C-O 3.49Å; F140-K145 VanDerWaalsContact CA-O 3.3Å; F140-K145 WeakPolarHBondContact CA-O 3.21Å; F140-K147 WeakPolarHBondContact O-CD 3.49Å; F140-K147 WeakPolarHBondContact O-CE 3.28Å; F140-K147 PolarHBondContact O-NZ 3.37Å
141D87Confident86.4Confident56 Ų5687.5 Ų87.530%0.29948%0.484SS..  trans-88176.7167.767.624.8000111.8T143 G144 K145 K147D141-T143 PolarHBondContact O-N 3.03Å; D141-T143 VanDerWaalsContact O-N 3.17Å; D141-T143 WeakPolarHBondContact OD1-CA 3.48Å; D141-T143 WeakPolarHBondContact OD1-CB 3.31Å; D141-T143 PolarHBondContact OD1-N 3.25Å; D141-T143 PolarHBondContact OD1-OG1 2.89Å; D141-T143 PolarHBondContact OD2-OG1 2.86Å; D141-G144 WeakPolarHBondContact O-CA 3.49Å; D141-G144 PolarHBondContact O-N 3.17Å; D141-G144 PolarHBondContact OD1-N 3.26Å; D141-G144 VanDerWaalsContact OD1-N 3.12Å; D141-K145 PolarHBondContact N-O 2.48Å; D141-K145 WeakPolarHBondContact OD1-CB 3.5Å; D141-K145 PolarHBondContact OD1-N 2.76Å; D141-K145 WeakPolarHBondContact OD2-CB 3.21Å; D141-K147 HydrophobicContact CB-CG 4.23Å
142E84.4Confident86.2Confident204 Ų20490.2 Ų90.295%0.95349%0.491SS*.THydrogen-bonded Turntrans-63.1-20.4-178-59.8-177.3112.300112.7G144E142-G144 VanDerWaalsContact C-N 3.3Å
143T85.1Confident86Confident120 Ų12092.4 Ų92.474%0.73650%0.502SS*.THydrogen-bonded Turntrans-86.8-2.1174.974.40000112.9D141 K145D141-T143 PolarHBondContact O-N 3.03Å; D141-T143 VanDerWaalsContact O-N 3.17Å; D141-T143 WeakPolarHBondContact OD1-CA 3.48Å; D141-T143 WeakPolarHBondContact OD1-CB 3.31Å; D141-T143 PolarHBondContact OD1-N 3.25Å; D141-T143 PolarHBondContact OD1-OG1 2.89Å; D141-T143 PolarHBondContact OD2-OG1 2.86Å; T143-K145 VanDerWaalsContact C-N 3.33Å
144G83.1Confident85.6Confident22 Ų2295.6 Ų95.623%0.22751%0.509CS..SBendtrans80.410.2-176.200000114.1T129 F140 D141 E142T129-G144 WeakPolarHBondContact OG1-CA 3.35Å; F140-G144 WeakPolarHBondContact CD1-O 3.48Å; D141-G144 WeakPolarHBondContact O-CA 3.49Å; D141-G144 PolarHBondContact O-N 3.17Å; D141-G144 PolarHBondContact OD1-N 3.26Å; D141-G144 VanDerWaalsContact OD1-N 3.12Å; E142-G144 VanDerWaalsContact C-N 3.3Å
145K87.3Confident85Confident148 Ų14898.4 Ų98.464%0.64351%0.509SS*.  trans-85.8138.9177.4-178.1-178.4-177.5-176.30110.1F140 D141 T143 K147F140-K145 CarbonylContact C-O 3.49Å; F140-K145 VanDerWaalsContact CA-O 3.3Å; F140-K145 WeakPolarHBondContact CA-O 3.21Å; D141-K145 PolarHBondContact N-O 2.48Å; D141-K145 WeakPolarHBondContact OD1-CB 3.5Å; D141-K145 PolarHBondContact OD1-N 2.76Å; D141-K145 WeakPolarHBondContact OD2-CB 3.21Å; T143-K145 VanDerWaalsContact C-N 3.33Å; K145-K147 PolarHBondContact O-N 3.17Å
146G90.1Very high84.6Confident48 Ų4899.3 Ų99.350%0.49551%0.508SS..BIsolated β-bridgetrans-66129-178.500000112.5R139 G148R139-G146 CarbonylContact O-C 3.56Å; R139-G146 VanDerWaalsContact O-CA 3.29Å; R139-G146 WeakPolarHBondContact O-CA 3.41Å; G146-G148 PolarHBondContact O-N 3.5Å
147K87.2Confident84.1Confident96 Ų96100.9 Ų100.942%0.41752%0.519SS..  trans-75.8-0.6176.5-70.1177.3176.4157.20114.1E138 R139 F140 D141 K145 K149E138-K147 WeakPolarHBondContact O-CD 3.33Å; R139-K147 PolarHBondContact O-N 2.98Å; F140-K147 WeakPolarHBondContact O-CD 3.49Å; F140-K147 WeakPolarHBondContact O-CE 3.28Å; F140-K147 PolarHBondContact O-NZ 3.37Å; D141-K147 HydrophobicContact CB-CG 4.23Å; K145-K147 PolarHBondContact O-N 3.17Å; K147-K149 PolarHBondContact O-N 3.04Å
148G87.4Confident83.5Confident39 Ų3999.9 Ų99.940%0.40253%0.534SS..G310 helixtrans63.3-131.1179.500000112.3G146 A150 G151 R152G146-G148 PolarHBondContact O-N 3.5Å; G148-A150 PolarHBondContact O-N 3.35Å; G148-G151 PolarHBondContact O-N 3.15Å; G148-R152 WeakPolarHBondContact O-CG 3.39Å
149K82.7Confident82.6Confident135 Ų13598 Ų9859%0.58753%0.533SS*.G310 helixtrans-61.9-40.9-177.8-168.6176.7-178-177.90112.5K147 G151 R152 E153K147-K149 PolarHBondContact O-N 3.04Å; K149-G151 PolarHBondContact O-N 2.91Å; K149-R152 PolarHBondContact O-N 2.98Å; K149-E153 VanDerWaalsContact CE-CD 3.42Å; K149-E153 WeakPolarHBondContact CE-OE2 3.47Å; K149-E153 IonicContact NZ-OE2 2.87Å; K149-E153 PolarHBondContact O-N 3.17Å
150A83.8Confident81.5Confident72 Ų7295.8 Ų95.860%0.59554%0.541SS*.G310 helixtrans-62.3-24.3-178.500000113.9G148G148-A150 PolarHBondContact O-N 3.35Å
151G83.8Confident80Confident8 Ų8104.5 Ų104.58%0.08257%0.574CS.*G310 helixtrans-97.11.8175.600000114.6E138 R139 G148 K149E138-G151 CarbonylContact C-O 3.5Å; E138-G151 WeakPolarHBondContact O-CA 3.45Å; R139-G151 WeakPolarHBondContact CG-O 3.4Å; R139-G151 PolarHBondContact N-O 3.17Å; G148-G151 PolarHBondContact O-N 3.15Å; K149-G151 PolarHBondContact O-N 2.91Å
152R83.8Confident79Confident181 Ų181106.6 Ų106.668%0.68359%0.589SS**THydrogen-bonded Turntrans-117.3-25.3-176.9-69.3179-174.7-161.21.7113.2R139 G148 K149R139-R152 HydrophobicContact CG-CG 4.23Å; G148-R152 WeakPolarHBondContact O-CG 3.39Å; K149-R152 PolarHBondContact O-N 2.98Å
153E82.8Confident78.1Confident105 Ų105100.2 Ų100.249%0.49158%0.578SS.*SBendtrans-125133.8-177.5-67.5175.6-156.800109.6K149 I155K149-E153 VanDerWaalsContact CE-CD 3.42Å; K149-E153 WeakPolarHBondContact CE-OE2 3.47Å; K149-E153 IonicContact NZ-OE2 2.87Å; K149-E153 PolarHBondContact O-N 3.17Å; E153-I155 PolarHBondContact O-N 2.83Å
154E77.9Confident77.2Confident184 Ų18498.6 Ų98.686%0.8658%0.576SS**  trans-75106.7163.8-170.6-171.3122.400107.1P156E154-P156 WeakPolarHBondContact O-CD 3.48Å
155I75.9Confident76.3Confident114 Ų114105.2 Ų105.259%0.58560%0.595SS**  trans-86.2107.3177.7-57.1171.8000106.8E153E153-I155 PolarHBondContact O-N 2.83Å
156P73.8Confident75.3Confident98 Ų98107.6 Ų107.664%0.63661%0.606SS**  trans-64.8145.9178.427.2-34.4000110.1E154 A158E154-P156 WeakPolarHBondContact O-CD 3.48Å; P156-A158 PolarHBondContact O-N 3.49Å
157D75Confident74.3Confident109 Ų109106.3 Ų106.358%0.58359%0.593SS**  trans-64.4109.9175.7178.1-89.8000109.7S159 K168D157-S159 PolarHBondContact O-N 3.47Å; D157-S159 VanDerWaalsContact OD1-CB 3.26Å; D157-S159 WeakPolarHBondContact OD1-CB 3.49Å; D157-S159 PolarHBondContact OD1-N 3.02Å; D157-S159 PolarHBondContact OD1-OG 3.26Å; D157-K168 VanDerWaalsContact CG-NZ 3.29Å; D157-K168 IonicContact OD1-NZ 4Å; D157-K168 PolarHBondContact OD1-NZ 3.28Å; D157-K168 VanDerWaalsContact OD1-NZ 3.17Å; D157-K168 IonicContact OD2-NZ 2.66Å; D157-K168 PolarHBondContact OD2-NZ 3.46Å
158A74.3Confident73.3Confident103 Ų103107.8 Ų107.885%0.85160%0.599SS**THydrogen-bonded Turntrans-83.111.1-178.600000113.2P156 G160P156-A158 PolarHBondContact O-N 3.49Å; A158-G160 PolarHBondContact O-N 3.07Å; A158-G160 VanDerWaalsContact O-N 3.08Å
159S71.1Confident72.5Confident70 Ų70109.1 Ų109.149%0.4961%0.612SS.*THydrogen-bonded Turntrans-71.6-2.6-174.674.70000114.3D157 K168D157-S159 PolarHBondContact O-N 3.47Å; D157-S159 VanDerWaalsContact OD1-CB 3.26Å; D157-S159 WeakPolarHBondContact OD1-CB 3.49Å; D157-S159 PolarHBondContact OD1-N 3.02Å; D157-S159 PolarHBondContact OD1-OG 3.26Å; S159-K168 PolarHBondContact OG-NZ 3.03Å
160G65.3Low72Confident51 Ų51105 Ų10553%0.52660%0.599SS.*  trans76.3151.1175.500000112.9A158 V162A158-G160 PolarHBondContact O-N 3.07Å; A158-G160 VanDerWaalsContact O-N 3.08Å; G160-V162 PolarHBondContact O-N 3Å; G160-V162 VanDerWaalsContact O-N 3.17Å
161Y58.1Low71.3Confident231 Ų231110.1 Ų110.191%0.90660%0.604SS**  trans-8194.4177.3-168.8-97.1000110
162V65.6Low70.7Confident101 Ų101116.4 Ų116.461%0.61263%0.631SS**  trans-105.894172-173.90000108.7G160 A164 Y165G160-V162 PolarHBondContact O-N 3Å; G160-V162 VanDerWaalsContact O-N 3.17Å; V162-A164 PolarHBondContact O-N 3.22Å; V162-Y165 PolarHBondContact O-N 3.3Å
163G66Low70Confident70 Ų70112.3 Ų112.372%0.72262%0.623SS**THydrogen-bonded Turntrans-60.2-7.4-168.200000117.4
164A65.8Low69.2Low85 Ų85114.1 Ų114.170%0.70263%0.629SS**THydrogen-bonded Turntrans-121.5-4.4-177.400000114.8V162 K166V162-A164 PolarHBondContact O-N 3.22Å; A164-K166 PolarHBondContact O-N 3.36Å
165Y64.5Low68.8Low161 Ų161109.3 Ų109.363%0.63161%0.612SS**  trans-86.998.6-177.4-171.9-104.6000111.4V162 G167 K168V162-Y165 PolarHBondContact O-N 3.3Å; Y165-G167 PolarHBondContact OH-O 3.21Å; Y165-K168 HydrophobicContact CD1-CB 4.46Å; Y165-K168 HydrophobicContact CE1-CB 4.3Å
166K66.9Low68.1Low199 Ų199112 Ų11287%0.86562%0.619SS**  trans-91.43.9-179.3-62.1-177180-179.90114.3A164A164-K166 PolarHBondContact O-N 3.36Å
167G67.8Low67.3Low21 Ų21115.8 Ų115.822%0.21663%0.629CS.*  trans-98.416.4-173.700000115.5Y165 G169 T170Y165-G167 PolarHBondContact OH-O 3.21Å; G167-G169 PolarHBondContact O-N 2.92Å; G167-T170 PolarHBondContact O-OG1 2.96Å
168K68Low66.2Low126 Ų126117.3 Ų117.355%0.54866%0.657SS.*THydrogen-bonded Turntrans-70.9120.3178.9-171.1176179.2177.70109D157 S159 Y165 T170D157-K168 VanDerWaalsContact CG-NZ 3.29Å; D157-K168 IonicContact OD1-NZ 4Å; D157-K168 PolarHBondContact OD1-NZ 3.28Å; D157-K168 VanDerWaalsContact OD1-NZ 3.17Å; D157-K168 IonicContact OD2-NZ 2.66Å; D157-K168 PolarHBondContact OD2-NZ 3.46Å; S159-K168 PolarHBondContact OG-NZ 3.03Å; Y165-K168 HydrophobicContact CD1-CB 4.46Å; Y165-K168 HydrophobicContact CE1-CB 4.3Å; K168-T170 PolarHBondContact O-N 2.96Å
169G69.1Low65.8Low67 Ų67118.1 Ų118.169%0.69165%0.647SS**THydrogen-bonded Turntrans86-7.9177.400000116.2G167 Y171G167-G169 PolarHBondContact O-N 2.92Å; G169-Y171 VanDerWaalsContact C-N 3.31Å; G169-Y171 PolarHBondContact O-N 2.79Å
170T73.4Confident65.5Low48 Ų48120.6 Ų120.629%0.29466%0.655SS.*  trans-86.99.5-174.763.30000114.5G167 K168 K174G167-T170 PolarHBondContact O-OG1 2.96Å; K168-T170 PolarHBondContact O-N 2.96Å; T170-K174 WeakPolarHBondContact O-CG 3.32Å; T170-K174 PolarHBondContact O-N 3.4Å
171Y68.4Low65.5Low180 Ų180124.4 Ų124.471%0.70666%0.662SS**Hα-helixtrans-73.1-44.8-176-177.9-98.9000111.5G169 D173 K174 V175G169-Y171 VanDerWaalsContact C-N 3.31Å; G169-Y171 PolarHBondContact O-N 2.79Å; Y171-D173 VanDerWaalsContact C-N 3.32Å; Y171-D173 PolarHBondContact O-N 2.93Å; Y171-K174 PolarHBondContact O-N 2.58Å; Y171-V175 HydrophobicContact CD1-CG2 4.19Å; Y171-V175 HydrophobicContact CE1-CG2 3.82Å; Y171-V175 HydrophobicContact CE2-CG2 4.19Å; Y171-V175 VanDerWaalsContact O-CG2 3.29Å; Y171-V175 WeakPolarHBondContact O-CG2 3.32Å; Y171-V175 PolarHBondContact O-N 3.39Å; Y171-V175 VanDerWaalsContact O-N 3.17Å
172E70.8Confident66Low140 Ų140118.2 Ų118.265%0.65465%0.648SS**Hα-helixtrans-68.3-31.8-178-61.4-164.6123.800112.8K176E172-K176 WeakPolarHBondContact O-CG 3.38Å; E172-K176 PolarHBondContact O-N 3.39Å
173D70.4Confident66Low95 Ų95119.3 Ų119.351%0.50865%0.65SS.*Hα-helixtrans-66.6-44175.2-59.4-54.5000111.4Y171 V175 K176 E177Y171-D173 VanDerWaalsContact C-N 3.32Å; Y171-D173 PolarHBondContact O-N 2.93Å; D173-V175 VanDerWaalsContact C-N 3.31Å; D173-V175 PolarHBondContact O-N 3.37Å; D173-K176 PolarHBondContact O-N 3.05Å; D173-E177 PolarHBondContact O-N 2.72Å
174K65.2Low66Low144 Ų144122.5 Ų122.563%0.62665%0.646SS**Hα-helixtrans-67.4-29178.7-72.9-179.1-180-175.20113.9T170 Y171T170-K174 WeakPolarHBondContact O-CG 3.32Å; T170-K174 PolarHBondContact O-N 3.4Å; Y171-K174 PolarHBondContact O-N 2.58Å
175V68.9Low66Low82 Ų82125.2 Ų125.250%0.49764%0.642SS.*Hα-helixtrans-82.2-25.9179.7176.20000111.5Y171 D173Y171-V175 HydrophobicContact CD1-CG2 4.19Å; Y171-V175 HydrophobicContact CE1-CG2 3.82Å; Y171-V175 HydrophobicContact CE2-CG2 4.19Å; Y171-V175 VanDerWaalsContact O-CG2 3.29Å; Y171-V175 WeakPolarHBondContact O-CG2 3.32Å; Y171-V175 PolarHBondContact O-N 3.39Å; Y171-V175 VanDerWaalsContact O-N 3.17Å; D173-V175 VanDerWaalsContact C-N 3.31Å; D173-V175 PolarHBondContact O-N 3.37Å
176K60.9Low66.1Low170 Ų170122.5 Ų122.574%0.73964%0.642SS**Hα-helixtrans-76.9-21.7174.8-77.4175.8-177.7168.90113.7E172 D173E172-K176 WeakPolarHBondContact O-CG 3.38Å; E172-K176 PolarHBondContact O-N 3.39Å; D173-K176 PolarHBondContact O-N 3.05Å
177E57.1Low66.1Low178 Ų178116.1 Ų116.183%0.83262%0.624SS**THydrogen-bonded Turntrans-93.43.7177.1-68.3-171.9104.400113.8D173D173-E177 PolarHBondContact O-N 2.72Å
178A52.5Low65.9Low142 Ų142124.7 Ų124.7100%1.17466%0.661SS**  trans-102.40-179.300000113.3

Retrieved 178 of 178 residues in 110.2 ms (Link to these results)

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