A0A077YXB7_TRITR Loading...

E3 ubiquitin-protein transferase MAEA

AlphaFold DB , UniProt , Accession A0A077YXB7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 399 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
1M56.2Low79.7Confident136 Ų13662 Ų6267%0.6734%0.339SS*.  0-58.60-125.3-163.8-65.700110.1D3 I4 W5M1-D3 PolarHBondContact N-OD1 3.14Å; M1-D3 PolarHBondContact O-N 3.27Å; M1-I4 PolarHBondContact O-N 3.26Å; M1-W5 PolarHBondContact O-N 3.37Å
2S70.5Confident80.6Confident102 Ų10259.2 Ų59.271%0.71332%0.323SS*.Hα-helixtrans-59.9-34.1179630000113.1W5 A6S2-W5 PolarHBondContact O-N 3.5Å; S2-A6 VanDerWaalsContact O-CB 3.25Å; S2-A6 WeakPolarHBondContact O-CB 3.32Å; S2-A6 PolarHBondContact O-N 2.89Å
3D77.3Confident81.4Confident65 Ų6555.4 Ų55.435%0.34830%0.304SS..Hα-helixtrans-63.3-45.3178.271.2-54.7000112.9M1 A6 L7 R113M1-D3 PolarHBondContact N-OD1 3.14Å; M1-D3 PolarHBondContact O-N 3.27Å; D3-A6 PolarHBondContact O-N 3.5Å; D3-L7 WeakPolarHBondContact O-CB 3.28Å; D3-L7 WeakPolarHBondContact O-CG 3.44Å; D3-L7 PolarHBondContact O-N 2.93Å; D3-R113 PolarHBondContact O-NH2 3.45Å; D3-R113 IonicContact OD2-CZ 3.38Å; D3-R113 IonicContact OD2-NH1 3.41Å; D3-R113 PolarHBondContact OD2-NH1 3.29Å; D3-R113 IonicContact OD2-NH2 2.73Å
4I79.6Confident82Confident11 Ų1151.6 Ų51.66%0.05628%0.284CS..Hα-helixtrans-65.2-48.6178.3-67.9174.1000109M1 A6 L7 E8 L97 H100 F109M1-I4 PolarHBondContact O-N 3.26Å; I4-A6 VanDerWaalsContact C-N 3.28Å; I4-A6 PolarHBondContact O-N 3.08Å; I4-L7 PolarHBondContact O-N 3.19Å; I4-E8 HydrophobicContact CG2-CB 4.43Å; I4-E8 HydrophobicContact CG2-CG 4.21Å; I4-E8 WeakPolarHBondContact O-CA 3.37Å; I4-E8 WeakPolarHBondContact O-CB 3.37Å; I4-E8 WeakPolarHBondContact O-CG 3.48Å; I4-E8 PolarHBondContact O-N 3.39Å; I4-L97 HydrophobicContact CG2-CD2 4.44Å; I4-H100 HydrophobicContact CD1-CB 3.56Å; I4-H100 WeakPolarHBondContact CD1-CD2 3.5Å; I4-F109 HydrophobicContact CD1-CE1 4.28Å; I4-F109 HydrophobicContact CD1-CZ 4.49Å
5W77.9Confident82.6Confident125 Ų12549.3 Ų49.347%0.47327%0.273SS..Hα-helixtrans-61.9-37.4179.2-66.4118.4000112.3M1 S2 H9 L12 L94M1-W5 PolarHBondContact O-N 3.37Å; S2-W5 PolarHBondContact O-N 3.5Å; W5-H9 VanDerWaalsContact O-CB 3.3Å; W5-H9 WeakPolarHBondContact O-CB 3.48Å; W5-H9 PolarHBondContact O-N 3.36Å; W5-L12 HydrophobicContact CZ3-CD1 3.93Å; W5-L94 HydrophobicContact CH2-CD1 4.26Å
6A82.8Confident83.3Confident78 Ų7854.6 Ų54.665%0.64529%0.288SS*.Hα-helixtrans-69-46.9178.300000112.5S2 D3 I4S2-A6 VanDerWaalsContact O-CB 3.25Å; S2-A6 WeakPolarHBondContact O-CB 3.32Å; S2-A6 PolarHBondContact O-N 2.89Å; D3-A6 PolarHBondContact O-N 3.5Å; I4-A6 VanDerWaalsContact C-N 3.28Å; I4-A6 PolarHBondContact O-N 3.08Å
7L85.6Confident83.8Confident37 Ų3752.6 Ų52.619%0.19428%0.277CS..Hα-helixtrans-82.9-29.1-173.9-68169.3000113.4D3 I4 P274 A277 C278D3-L7 WeakPolarHBondContact O-CB 3.28Å; D3-L7 WeakPolarHBondContact O-CG 3.44Å; D3-L7 PolarHBondContact O-N 2.93Å; I4-L7 PolarHBondContact O-N 3.19Å; L7-P274 HydrophobicContact CB-CB 4.43Å; L7-P274 HydrophobicContact CD2-CB 4.23Å; L7-P274 WeakPolarHBondContact O-CB 3.47Å; L7-P274 VanDerWaalsContact O-CG 3.22Å; L7-P274 WeakPolarHBondContact O-CG 3.34Å; L7-A277 HydrophobicContact CD2-CB 4.12Å; L7-C278 WeakPolarHBondContact CD1-SG 3.29Å
8E86.9Confident84.1Confident4 Ų451.1 Ų51.12%0.01927%0.268CS..SBendtrans-102.55.6-176.4-60-73.8179.500112.9I4 S10 T11 L97 R113 R116I4-E8 HydrophobicContact CG2-CB 4.43Å; I4-E8 HydrophobicContact CG2-CG 4.21Å; I4-E8 WeakPolarHBondContact O-CA 3.37Å; I4-E8 WeakPolarHBondContact O-CB 3.37Å; I4-E8 WeakPolarHBondContact O-CG 3.48Å; I4-E8 PolarHBondContact O-N 3.39Å; E8-S10 PolarHBondContact O-N 2.91Å; E8-T11 VanDerWaalsContact O-CB 3.25Å; E8-T11 WeakPolarHBondContact O-CB 3.15Å; E8-T11 PolarHBondContact O-N 3.05Å; E8-T11 PolarHBondContact OE2-OG1 3.08Å; E8-L97 HydrophobicContact CB-CD1 4.13Å; E8-L97 HydrophobicContact CB-CD2 3.91Å; E8-L97 HydrophobicContact CG-CD2 3.81Å; E8-R113 WeakPolarHBondContact OE1-CG 3.3Å; E8-R113 IonicContact OE1-NE 3.26Å; E8-R116 IonicContact OE1-CZ 3.26Å; E8-R116 IonicContact OE1-NE 3.97Å; E8-R116 PolarHBondContact OE1-NE 3.27Å; E8-R116 IonicContact OE1-NH2 2.65Å; E8-R116 PolarHBondContact OE1-NH2 2.92Å; E8-R116 IonicContact OE2-CZ 3.79Å; E8-R116 IonicContact OE2-NE 2.85Å; E8-R116 PolarHBondContact OE2-NE 2.58Å; E8-R116 IonicContact OE2-NH2 3.82Å; E8-R116 PolarHBondContact OE2-NH2 3.37Å
9H87.4Confident84.6Confident107 Ų10749.9 Ų49.950%0.49526%0.262SS..Hα-helixtrans-52.2-45.5178.3-177.7-98.2000111.6W5 T11 L12 A13W5-H9 VanDerWaalsContact O-CB 3.3Å; W5-H9 WeakPolarHBondContact O-CB 3.48Å; W5-H9 PolarHBondContact O-N 3.36Å; H9-T11 VanDerWaalsContact C-N 3.26Å; H9-T11 PolarHBondContact O-N 3.32Å; H9-L12 PolarHBondContact O-N 3.23Å; H9-L12 VanDerWaalsContact O-N 3.15Å; H9-A13 VanDerWaalsContact O-CB 3.31Å; H9-A13 WeakPolarHBondContact O-CB 3.49Å; H9-A13 PolarHBondContact O-N 3.02Å
10S85.3Confident85.1Confident9 Ų949.4 Ų49.46%0.06326%0.26CS..Hα-helixtrans-63-30.4-179.752.60000113.4E8 L12 A14 N145E8-S10 PolarHBondContact O-N 2.91Å; S10-L12 PolarHBondContact O-N 3.25Å; S10-A14 PolarHBondContact O-N 2.9Å; S10-N145 PolarHBondContact O-ND2 3.29Å
11T86.8Confident85.3Confident8 Ų849.8 Ų49.85%0.04926%0.259CS..Hα-helixtrans-60.3-36.8176.5-56.80000111.2E8 H9 K93 V143 N145E8-T11 VanDerWaalsContact O-CB 3.25Å; E8-T11 WeakPolarHBondContact O-CB 3.15Å; E8-T11 PolarHBondContact O-N 3.05Å; E8-T11 PolarHBondContact OE2-OG1 3.08Å; H9-T11 VanDerWaalsContact C-N 3.26Å; H9-T11 PolarHBondContact O-N 3.32Å; T11-K93 HydrophobicContact CG2-CD 4.29Å; T11-K93 WeakPolarHBondContact O-CD 3.47Å; T11-V143 WeakPolarHBondContact CG2-O 3.38Å; T11-N145 PolarHBondContact O-OD1 3.43Å
12L91.2Very high87.1Confident28 Ų2843.6 Ų43.615%0.14723%0.23CC..Hα-helixtrans-92.6-41.1178.8-62.4179.3000112.8W5 H9 S10 A14 S15 Y16 L90 K93 L94 L97W5-L12 HydrophobicContact CZ3-CD1 3.93Å; H9-L12 PolarHBondContact O-N 3.23Å; H9-L12 VanDerWaalsContact O-N 3.15Å; S10-L12 PolarHBondContact O-N 3.25Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 2.9Å; L12-S15 PolarHBondContact O-N 2.87Å; L12-Y16 WeakPolarHBondContact O-CB 3.49Å; L12-Y16 PolarHBondContact O-N 3.5Å; L12-L90 HydrophobicContact CB-CD1 4.39Å; L12-L90 HydrophobicContact CD2-CD1 3.9Å; L12-K93 HydrophobicContact CD2-CB 3.74Å; L12-L94 HydrophobicContact CD1-CD1 4.38Å; L12-L97 HydrophobicContact CD1-CD1 3.83Å; L12-L97 HydrophobicContact CD2-CD1 4Å; L12-L97 HydrophobicContact CG-CD1 3.8Å
13A90.7Very high88.2Confident10 Ų1043.6 Ų43.68%0.08322%0.217CC..Hα-helixtrans-60.6-41.6-174.200000112.5H9 Y16 E17H9-A13 VanDerWaalsContact O-CB 3.31Å; H9-A13 WeakPolarHBondContact O-CB 3.49Å; H9-A13 PolarHBondContact O-N 3.02Å; A13-Y16 PolarHBondContact O-N 3.33Å; A13-E17 WeakPolarHBondContact O-CB 3.44Å; A13-E17 PolarHBondContact O-N 3.45Å
14A89.5Confident88.9Confident2 Ų246.6 Ų46.62%0.01722%0.224CC..Hα-helixtrans-64.2-45178.600000112S10 L12 E17 E18 Y267 M269S10-A14 PolarHBondContact O-N 2.9Å; L12-A14 VanDerWaalsContact C-N 3.34Å; L12-A14 PolarHBondContact O-N 2.9Å; A14-E17 PolarHBondContact O-N 2.94Å; A14-E18 PolarHBondContact O-N 3.05Å; A14-E18 VanDerWaalsContact O-N 3.14Å; A14-Y267 HydrophobicContact CB-CD1 4.22Å; A14-M269 HydrophobicContact CB-SD 4.34Å
15S91.3Very high89.5Confident17 Ų1749.4 Ų49.412%0.11924%0.241CC..Hα-helixtrans-67.4-37.2176.3-80.50000113.1L12 E17 E18 L19 K93L12-S15 PolarHBondContact O-N 2.87Å; S15-E17 VanDerWaalsContact C-N 3.28Å; S15-E17 PolarHBondContact O-N 3.1Å; S15-E18 PolarHBondContact O-N 3.24Å; S15-L19 PolarHBondContact O-N 3.32Å; S15-K93 PolarHBondContact OG-NZ 3.35Å
16Y93.5Very high90.2Very high134 Ų13443.7 Ų43.753%0.52522%0.221SC..Hα-helixtrans-62.5-39.3173.2175.8-97.4000111.3L12 A13 E18 L19 N20L12-Y16 WeakPolarHBondContact O-CB 3.49Å; L12-Y16 PolarHBondContact O-N 3.5Å; A13-Y16 PolarHBondContact O-N 3.33Å; Y16-E18 PolarHBondContact O-N 3.32Å; Y16-L19 PolarHBondContact O-N 2.98Å; Y16-N20 WeakPolarHBondContact O-CB 3.42Å; Y16-N20 PolarHBondContact O-N 2.92Å
17E91.1Very high90.7Very high21 Ų2143.6 Ų43.610%0.09821%0.207CC..Hα-helixtrans-65.8-38.6178.1-168.859.3-150.900112.4A13 A14 S15 N20 K21 K177 Y267A13-E17 WeakPolarHBondContact O-CB 3.44Å; A13-E17 PolarHBondContact O-N 3.45Å; A14-E17 PolarHBondContact O-N 2.94Å; S15-E17 VanDerWaalsContact C-N 3.28Å; S15-E17 PolarHBondContact O-N 3.1Å; E17-N20 PolarHBondContact O-N 3.29Å; E17-N20 PolarHBondContact OE1-ND2 3.45Å; E17-K21 WeakPolarHBondContact O-CB 3.34Å; E17-K21 PolarHBondContact O-N 2.92Å; E17-K177 IonicContact OE1-NZ 3.59Å; E17-K177 PolarHBondContact OE1-NZ 3.47Å; E17-K177 IonicContact OE2-NZ 2.69Å; E17-K177 PolarHBondContact OE2-NZ 3.22Å; E17-Y267 HydrophobicContact CB-CD1 3.95Å; E17-Y267 HydrophobicContact CB-CE1 4.4Å; E17-Y267 HydrophobicContact CG-CD1 4.16Å; E17-Y267 HydrophobicContact CG-CE1 4.43Å
18E90.3Very high91.1Very high25 Ų2547 Ų4712%0.11722%0.22CC..Hα-helixtrans-61.6-44.6172.4-73.5-67.2140.500111.8A14 S15 Y16 N20 K21 A22 L86 R151 Y267A14-E18 PolarHBondContact O-N 3.05Å; A14-E18 VanDerWaalsContact O-N 3.14Å; S15-E18 PolarHBondContact O-N 3.24Å; Y16-E18 PolarHBondContact O-N 3.32Å; E18-N20 VanDerWaalsContact C-N 3.33Å; E18-N20 PolarHBondContact O-N 3.33Å; E18-K21 PolarHBondContact O-N 3.23Å; E18-A22 PolarHBondContact O-N 2.92Å; E18-L86 HydrophobicContact CB-CD2 4.2Å; E18-R151 IonicContact OE1-NH1 3.35Å; E18-R151 PolarHBondContact OE1-NH1 3.19Å; E18-R151 VanDerWaalsContact OE1-NH1 3.16Å; E18-R151 IonicContact OE2-CZ 2.92Å; E18-R151 IonicContact OE2-NH1 2.76Å; E18-R151 PolarHBondContact OE2-NH1 3.06Å; E18-R151 IonicContact OE2-NH2 2.61Å; E18-Y267 HydrophobicContact CG-CE1 4.12Å; E18-Y267 WeakPolarHBondContact OE1-CE1 3.41Å; E18-Y267 VanDerWaalsContact OE1-CZ 3.31Å; E18-Y267 PolarHBondContact OE1-OH 3.37Å
19L94.2Very high91.3Very high30 Ų3048.2 Ų48.216%0.15723%0.228CC..Hα-helixtrans-60.6-44174.9177.961000111.2S15 Y16 K21 A22 F23 E83 L86 L90S15-L19 PolarHBondContact O-N 3.32Å; Y16-L19 PolarHBondContact O-N 2.98Å; L19-K21 PolarHBondContact O-N 3.49Å; L19-A22 PolarHBondContact O-N 3.5Å; L19-F23 WeakPolarHBondContact O-CB 3.49Å; L19-F23 PolarHBondContact O-N 3.41Å; L19-E83 HydrophobicContact CD1-CB 4.33Å; L19-E83 HydrophobicContact CD1-CG 4.47Å; L19-L86 HydrophobicContact CB-CB 4.29Å; L19-L86 HydrophobicContact CD1-CB 3.97Å; L19-L90 HydrophobicContact CD2-CD2 4.36Å
20N93.2Very high91.5Very high39 Ų3946.3 Ų46.321%0.20922%0.221CC..Hα-helixtrans-64.4-38.5176.4179.151.4000111.7Y16 E17 E18 F23 R24Y16-N20 WeakPolarHBondContact O-CB 3.42Å; Y16-N20 PolarHBondContact O-N 2.92Å; E17-N20 PolarHBondContact O-N 3.29Å; E17-N20 PolarHBondContact OE1-ND2 3.45Å; E18-N20 VanDerWaalsContact C-N 3.33Å; E18-N20 PolarHBondContact O-N 3.33Å; N20-F23 PolarHBondContact O-N 3.29Å; N20-R24 WeakPolarHBondContact O-CG 3.47Å; N20-R24 PolarHBondContact O-N 2.9Å
21K90.7Very high91.9Very high57 Ų5750.2 Ų50.225%0.24824%0.241CC..Hα-helixtrans-61-48.7173.7-172.5177.6177.11770110.5E17 E18 L19 R24 V25 E173E17-K21 WeakPolarHBondContact O-CB 3.34Å; E17-K21 PolarHBondContact O-N 2.92Å; E18-K21 PolarHBondContact O-N 3.23Å; L19-K21 PolarHBondContact O-N 3.49Å; K21-R24 PolarHBondContact O-N 3.18Å; K21-V25 WeakPolarHBondContact O-CG2 3.35Å; K21-V25 PolarHBondContact O-N 3.46Å; K21-E173 IonicContact NZ-OE2 2.75Å; K21-E173 PolarHBondContact NZ-OE2 3.38Å
22A92.8Very high92.2Very high7 Ų757.8 Ų57.86%0.05827%0.269CS..Hα-helixtrans-59.4-47.4176.900000111.7E18 L19 R24 V25 A26 E83 L86E18-A22 PolarHBondContact O-N 2.92Å; L19-A22 PolarHBondContact O-N 3.5Å; A22-R24 VanDerWaalsContact C-N 3.33Å; A22-R24 PolarHBondContact O-N 3.24Å; A22-V25 WeakPolarHBondContact O-CB 3.31Å; A22-V25 PolarHBondContact O-N 3.01Å; A22-A26 PolarHBondContact O-N 3.33Å; A22-E83 HydrophobicContact CB-CG 4.31Å; A22-L86 HydrophobicContact CB-CD1 3.58Å
23F94.9Very high92.2Very high101 Ų10156.7 Ų56.744%0.44326%0.263SS..Hα-helixtrans-55.9-44.2175.9175.6-98.9000113.1L19 N20 V25 A26 Q27 E83L19-F23 WeakPolarHBondContact O-CB 3.49Å; L19-F23 PolarHBondContact O-N 3.41Å; N20-F23 PolarHBondContact O-N 3.29Å; F23-V25 VanDerWaalsContact C-N 3.33Å; F23-V25 PolarHBondContact O-N 2.96Å; F23-A26 PolarHBondContact O-N 3.09Å; F23-Q27 WeakPolarHBondContact O-CB 3.39Å; F23-Q27 PolarHBondContact O-N 2.87Å; F23-E83 VanDerWaalsContact CA-OE1 3.3Å; F23-E83 WeakPolarHBondContact CA-OE1 3.5Å
24R92.2Very high92.3Very high128 Ų12859.8 Ų59.848%0.48328%0.284SS..Hα-helixtrans-67.9-32.9177.6-67.1-64.9-176.8177.33.7112.7N20 K21 A22 K28N20-R24 WeakPolarHBondContact O-CG 3.47Å; N20-R24 PolarHBondContact O-N 2.9Å; K21-R24 PolarHBondContact O-N 3.18Å; A22-R24 VanDerWaalsContact C-N 3.33Å; A22-R24 PolarHBondContact O-N 3.24Å; R24-K28 VanDerWaalsContact O-CG 3.29Å; R24-K28 WeakPolarHBondContact O-CG 3.5Å; R24-K28 PolarHBondContact O-N 2.89Å; R24-K28 VanDerWaalsContact O-N 3.14Å
25V90.8Very high92.5Very high71 Ų7163.8 Ų63.843%0.4331%0.308SS..Hα-helixtrans-70.1-44.2174.9170.70000110.2K21 A22 F23 K28 T29K21-V25 WeakPolarHBondContact O-CG2 3.35Å; K21-V25 PolarHBondContact O-N 3.46Å; A22-V25 WeakPolarHBondContact O-CB 3.31Å; A22-V25 PolarHBondContact O-N 3.01Å; F23-V25 VanDerWaalsContact C-N 3.33Å; F23-V25 PolarHBondContact O-N 2.96Å; V25-K28 PolarHBondContact O-N 3.46Å; V25-T29 WeakPolarHBondContact O-CB 3.5Å; V25-T29 PolarHBondContact O-N 3.11Å; V25-T29 PolarHBondContact O-OG1 2.99Å
26A93.2Very high92.6Very high5 Ų568.4 Ų68.44%0.04132%0.323CS..Hα-helixtrans-58.7-49.6175.100000111.1A22 F23 K28 T29 L30 C79 E83A22-A26 PolarHBondContact O-N 3.33Å; F23-A26 PolarHBondContact O-N 3.09Å; A26-K28 PolarHBondContact O-N 2.83Å; A26-T29 WeakPolarHBondContact O-CB 3.18Å; A26-T29 PolarHBondContact O-N 3.39Å; A26-T29 VanDerWaalsContact O-N 3.11Å; A26-L30 WeakPolarHBondContact O-CG 3.29Å; A26-L30 PolarHBondContact O-N 3.06Å; A26-C79 HydrophobicContact CB-CB 3.68Å; A26-E83 WeakPolarHBondContact CB-OE1 3.44Å
27Q94Very high92.5Very high76 Ų7663.1 Ų63.136%0.35531%0.306SS..Hα-helixtrans-54.9-52.4176.8-173.817815.800111.8F23 T29 L30 D31F23-Q27 WeakPolarHBondContact O-CB 3.39Å; F23-Q27 PolarHBondContact O-N 2.87Å; Q27-T29 VanDerWaalsContact C-N 3.26Å; Q27-T29 PolarHBondContact O-N 3.35Å; Q27-L30 PolarHBondContact O-N 3.45Å; Q27-D31 PolarHBondContact O-N 3.32Å
28K92.5Very high92.6Very high107 Ų10769.2 Ų69.247%0.46533%0.329SS..Hα-helixtrans-61.8-34.8178.4-73.7173.1-176.5176.40112.9R24 V25 A26 R32R24-K28 VanDerWaalsContact O-CG 3.29Å; R24-K28 WeakPolarHBondContact O-CG 3.5Å; R24-K28 PolarHBondContact O-N 2.89Å; R24-K28 VanDerWaalsContact O-N 3.14Å; V25-K28 PolarHBondContact O-N 3.46Å; A26-K28 PolarHBondContact O-N 2.83Å; K28-R32 WeakPolarHBondContact O-CB 3.44Å; K28-R32 WeakPolarHBondContact O-CD 3.49Å; K28-R32 WeakPolarHBondContact O-CG 3.42Å; K28-R32 PolarHBondContact O-N 2.98Å; K28-R32 VanDerWaalsContact O-N 3.11Å
29T92.1Very high92.8Very high31 Ų3170.9 Ų70.919%0.1934%0.338CS..Hα-helixtrans-68.6-46.8179-59.90000109.7V25 A26 Q27 R32 E33 K75V25-T29 WeakPolarHBondContact O-CB 3.5Å; V25-T29 PolarHBondContact O-N 3.11Å; V25-T29 PolarHBondContact O-OG1 2.99Å; A26-T29 WeakPolarHBondContact O-CB 3.18Å; A26-T29 PolarHBondContact O-N 3.39Å; A26-T29 VanDerWaalsContact O-N 3.11Å; Q27-T29 VanDerWaalsContact C-N 3.26Å; Q27-T29 PolarHBondContact O-N 3.35Å; T29-R32 PolarHBondContact O-N 2.79Å; T29-E33 WeakPolarHBondContact O-CG 3.35Å; T29-E33 PolarHBondContact O-N 2.92Å; T29-K75 HydrophobicContact CG2-CB 4.16Å; T29-K75 HydrophobicContact CG2-CD 3.88Å
30L91.2Very high92.7Very high67 Ų6771.6 Ų71.635%0.35134%0.342SS..Hα-helixtrans-62-45.6176.1-68.9171.5000112.3A26 Q27 R32 E33 S34 L76A26-L30 WeakPolarHBondContact O-CG 3.29Å; A26-L30 PolarHBondContact O-N 3.06Å; Q27-L30 PolarHBondContact O-N 3.45Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-R32 PolarHBondContact O-N 3.46Å; L30-E33 PolarHBondContact O-N 3.44Å; L30-S34 WeakPolarHBondContact O-CB 3.38Å; L30-S34 PolarHBondContact O-N 2.81Å; L30-L76 HydrophobicContact CD1-CD1 4.09Å; L30-L76 HydrophobicContact CD2-CB 4.29Å; L30-L76 HydrophobicContact CD2-CD1 3.91Å
31D93.3Very high92.7Very high90 Ų9074.6 Ų74.648%0.48136%0.356SS..Hα-helixtrans-58.3-46177.6-67.3-22.7000111Q27 S34 V35Q27-D31 PolarHBondContact O-N 3.32Å; D31-S34 PolarHBondContact O-N 3.26Å; D31-V35 WeakPolarHBondContact O-CG2 3.36Å; D31-V35 PolarHBondContact O-N 3.18Å
32R93.2Very high92.9Very high167 Ų16776.6 Ų76.663%0.6336%0.362SS*.Hα-helixtrans-63.6-45.4178.9-75.8170.1179.2-176.5-1.9112.7K28 T29 L30 R36K28-R32 WeakPolarHBondContact O-CB 3.44Å; K28-R32 WeakPolarHBondContact O-CD 3.49Å; K28-R32 WeakPolarHBondContact O-CG 3.42Å; K28-R32 PolarHBondContact O-N 2.98Å; K28-R32 VanDerWaalsContact O-N 3.11Å; T29-R32 PolarHBondContact O-N 2.79Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-R32 PolarHBondContact O-N 3.46Å; R32-R36 WeakPolarHBondContact O-CG 3.05Å; R32-R36 PolarHBondContact O-N 2.94Å
33E92.2Very high92.8Very high6 Ų681 Ų813%0.02838%0.381CS..Hα-helixtrans-74-30.5-179-59-54152.800111.8T29 L30 R36 S37 Q68 I72 K75T29-E33 WeakPolarHBondContact O-CG 3.35Å; T29-E33 PolarHBondContact O-N 2.92Å; L30-E33 PolarHBondContact O-N 3.44Å; E33-R36 PolarHBondContact O-N 3.3Å; E33-R36 IonicContact OE1-CZ 2.83Å; E33-R36 IonicContact OE1-NH1 3.87Å; E33-R36 PolarHBondContact OE1-NH1 3.3Å; E33-R36 IonicContact OE2-CZ 3.53Å; E33-R36 IonicContact OE2-NH1 3.91Å; E33-R36 PolarHBondContact OE2-NH1 2.92Å; E33-S37 PolarHBondContact O-N 3.11Å; E33-S37 PolarHBondContact O-OG 3.27Å; E33-Q68 PolarHBondContact O-NE2 2.94Å; E33-Q68 PolarHBondContact OE2-NE2 3.33Å; E33-I72 HydrophobicContact CB-CD1 3.91Å; E33-I72 HydrophobicContact CB-CG1 3.44Å; E33-I72 VanDerWaalsContact CB-CG1 3.44Å; E33-I72 HydrophobicContact CG-CG1 4.21Å; E33-K75 HydrophobicContact CG-CD 4Å; E33-K75 IonicContact OE1-NZ 2.92Å; E33-K75 PolarHBondContact OE1-NZ 3.49Å
34S91.8Very high92.7Very high74 Ų7477.4 Ų77.452%0.51737%0.367SS..Hα-helixtrans-64.1-43.2173.2179.10000112L30 D31 R36 S37 Y38L30-S34 WeakPolarHBondContact O-CB 3.38Å; L30-S34 PolarHBondContact O-N 2.81Å; D31-S34 PolarHBondContact O-N 3.26Å; S34-R36 VanDerWaalsContact C-N 3.33Å; S34-R36 PolarHBondContact O-N 2.89Å; S34-S37 PolarHBondContact O-N 3.39Å; S34-Y38 WeakPolarHBondContact O-CB 3.17Å; S34-Y38 PolarHBondContact O-N 3.14Å
35V94Very high92.7Very high87 Ų8776.3 Ų76.353%0.52737%0.367SS..Hα-helixtrans-59.2-44.5174170.50000110.9D31 S37 Y38 D39D31-V35 WeakPolarHBondContact O-CG2 3.36Å; D31-V35 PolarHBondContact O-N 3.18Å; V35-S37 PolarHBondContact O-N 3.44Å; V35-Y38 WeakPolarHBondContact O-CB 3.31Å; V35-Y38 PolarHBondContact O-N 3.27Å; V35-D39 PolarHBondContact O-N 3.45Å
36R92.7Very high92.6Very high114 Ų11478.7 Ų78.743%0.4337%0.374SS..Hα-helixtrans-62.8-42.6177.2-71.5177.7-178.3156.81.6112.8R32 E33 S34 Y38 D39 L40R32-R36 WeakPolarHBondContact O-CG 3.05Å; R32-R36 PolarHBondContact O-N 2.94Å; E33-R36 PolarHBondContact O-N 3.3Å; E33-R36 IonicContact OE1-CZ 2.83Å; E33-R36 IonicContact OE1-NH1 3.87Å; E33-R36 PolarHBondContact OE1-NH1 3.3Å; E33-R36 IonicContact OE2-CZ 3.53Å; E33-R36 IonicContact OE2-NH1 3.91Å; E33-R36 PolarHBondContact OE2-NH1 2.92Å; S34-R36 VanDerWaalsContact C-N 3.33Å; S34-R36 PolarHBondContact O-N 2.89Å; R36-Y38 VanDerWaalsContact C-N 3.32Å; R36-Y38 PolarHBondContact O-N 3.26Å; R36-D39 PolarHBondContact O-N 2.88Å; R36-L40 WeakPolarHBondContact O-CG 3.39Å; R36-L40 PolarHBondContact O-N 2.67Å; R36-L40 VanDerWaalsContact O-N 3.09Å
37S91.9Very high92.5Very high23 Ų2381.2 Ų81.216%0.16138%0.384CS..Hα-helixtrans-61.4-42.5174.7-67.80000111.7E33 S34 V35 L40 M41 Q68 I72E33-S37 PolarHBondContact O-N 3.11Å; E33-S37 PolarHBondContact O-OG 3.27Å; S34-S37 PolarHBondContact O-N 3.39Å; V35-S37 PolarHBondContact O-N 3.44Å; S37-L40 PolarHBondContact O-N 3.42Å; S37-M41 WeakPolarHBondContact O-CB 3.29Å; S37-M41 VanDerWaalsContact O-CG 3.31Å; S37-M41 WeakPolarHBondContact O-CG 3.39Å; S37-M41 PolarHBondContact O-N 2.97Å; S37-Q68 VanDerWaalsContact OG-CG 3.29Å; S37-Q68 WeakPolarHBondContact OG-CG 3.48Å; S37-I72 WeakPolarHBondContact OG-CD1 3.4Å
38Y93.6Very high92.3Very high148 Ų14881.9 Ų81.958%0.5839%0.389SS*.Hα-helixtrans-63.2-42.9177.6-178.9-98.5000112S34 V35 R36 L40 M41 R42S34-Y38 WeakPolarHBondContact O-CB 3.17Å; S34-Y38 PolarHBondContact O-N 3.14Å; V35-Y38 WeakPolarHBondContact O-CB 3.31Å; V35-Y38 PolarHBondContact O-N 3.27Å; R36-Y38 VanDerWaalsContact C-N 3.32Å; R36-Y38 PolarHBondContact O-N 3.26Å; Y38-L40 PolarHBondContact O-N 2.92Å; Y38-M41 PolarHBondContact O-N 2.78Å; Y38-R42 WeakPolarHBondContact O-CB 3.35Å; Y38-R42 PolarHBondContact O-N 2.86Å
39D94.2Very high92.2Very high60 Ų6084.8 Ų84.832%0.32140%0.402SS..Hα-helixtrans-62.6-42.5177.3-76.5-39.8000112V35 R36 R42 E43V35-D39 PolarHBondContact O-N 3.45Å; R36-D39 PolarHBondContact O-N 2.88Å; D39-R42 PolarHBondContact O-N 3.42Å; D39-R42 IonicContact OD1-CZ 3.23Å; D39-R42 VanDerWaalsContact OD1-CZ 3.23Å; D39-R42 IonicContact OD1-NH1 2.9Å; D39-R42 PolarHBondContact OD1-NH1 3.41Å; D39-R42 IonicContact OD1-NH2 2.9Å; D39-R42 PolarHBondContact OD1-NH2 3.33Å; D39-E43 PolarHBondContact O-N 3.09Å
40L92.6Very high91.8Very high45 Ų4584.8 Ų84.824%0.23641%0.408CS..Hα-helixtrans-64.8-41.8175.2-71.5169.2000112.2R36 S37 Y38 R42 E43 I44 V65 Q68R36-L40 WeakPolarHBondContact O-CG 3.39Å; R36-L40 PolarHBondContact O-N 2.67Å; R36-L40 VanDerWaalsContact O-N 3.09Å; S37-L40 PolarHBondContact O-N 3.42Å; Y38-L40 PolarHBondContact O-N 2.92Å; L40-R42 VanDerWaalsContact C-N 3.34Å; L40-E43 WeakPolarHBondContact O-CB 3.22Å; L40-E43 PolarHBondContact O-N 3.48Å; L40-I44 WeakPolarHBondContact O-CG1 3.4Å; L40-I44 PolarHBondContact O-N 3.14Å; L40-I44 VanDerWaalsContact O-N 3.1Å; L40-V65 HydrophobicContact CB-CG2 3.7Å; L40-Q68 HydrophobicContact CD1-CB 3.69Å; L40-Q68 HydrophobicContact CD1-CG 3.97Å
41M93.1Very high91.5Very high102 Ų10288.3 Ų88.350%0.50244%0.435SS..Hα-helixtrans-63.7-41.4175.6-73.4-179.76900111.6S37 Y38 E43 I44 E45S37-M41 WeakPolarHBondContact O-CB 3.29Å; S37-M41 VanDerWaalsContact O-CG 3.31Å; S37-M41 WeakPolarHBondContact O-CG 3.39Å; S37-M41 PolarHBondContact O-N 2.97Å; Y38-M41 PolarHBondContact O-N 2.78Å; M41-E43 VanDerWaalsContact C-N 3.31Å; M41-E43 PolarHBondContact O-N 2.97Å; M41-I44 PolarHBondContact O-N 3.03Å; M41-E45 WeakPolarHBondContact O-CG 3.39Å; M41-E45 PolarHBondContact O-N 2.91Å
42R93.6Very high91.1Very high99 Ų9990 Ų9037%0.37445%0.448SS..Hα-helixtrans-63.4-38.5176.5-170.1-176.169.5-133-11.7111.5Y38 D39 L40 E45 Q46Y38-R42 WeakPolarHBondContact O-CB 3.35Å; Y38-R42 PolarHBondContact O-N 2.86Å; D39-R42 PolarHBondContact O-N 3.42Å; D39-R42 IonicContact OD1-CZ 3.23Å; D39-R42 VanDerWaalsContact OD1-CZ 3.23Å; D39-R42 IonicContact OD1-NH1 2.9Å; D39-R42 PolarHBondContact OD1-NH1 3.41Å; D39-R42 IonicContact OD1-NH2 2.9Å; D39-R42 PolarHBondContact OD1-NH2 3.33Å; L40-R42 VanDerWaalsContact C-N 3.34Å; R42-E45 PolarHBondContact O-N 3.48Å; R42-Q46 WeakPolarHBondContact O-CB 3.49Å; R42-Q46 VanDerWaalsContact O-CG 3.28Å; R42-Q46 WeakPolarHBondContact O-CG 3.36Å; R42-Q46 PolarHBondContact O-N 3.35Å
43E91.9Very high90.6Very high99 Ų9984.9 Ų84.946%0.46344%0.435SS..Hα-helixtrans-61.6-43.8175.2-172174.3-178.500111.4D39 L40 M41 Q46 F47 L61D39-E43 PolarHBondContact O-N 3.09Å; L40-E43 WeakPolarHBondContact O-CB 3.22Å; L40-E43 PolarHBondContact O-N 3.48Å; M41-E43 VanDerWaalsContact C-N 3.31Å; M41-E43 PolarHBondContact O-N 2.97Å; E43-Q46 PolarHBondContact O-N 2.9Å; E43-F47 WeakPolarHBondContact O-CB 3.47Å; E43-F47 PolarHBondContact O-N 2.84Å; E43-L61 HydrophobicContact CG-CD1 4.49Å; E43-L61 HydrophobicContact CG-CD2 3.9Å; E43-L61 WeakPolarHBondContact OE1-CD2 3.2Å
44I92Very high90.3Very high27 Ų2786.4 Ų86.414%0.13845%0.447CS..Hα-helixtrans-62-47.5173.4-67.3173.5000111.3L40 M41 Q46 F47 L48 L58 L61 I62 V65L40-I44 WeakPolarHBondContact O-CG1 3.4Å; L40-I44 PolarHBondContact O-N 3.14Å; L40-I44 VanDerWaalsContact O-N 3.1Å; M41-I44 PolarHBondContact O-N 3.03Å; I44-Q46 VanDerWaalsContact C-N 3.3Å; I44-Q46 PolarHBondContact O-N 3.47Å; I44-F47 PolarHBondContact O-N 3.38Å; I44-L48 HydrophobicContact CG2-CD1 3.83Å; I44-L48 HydrophobicContact CG2-CG 4.22Å; I44-L48 VanDerWaalsContact O-CG 3.3Å; I44-L48 WeakPolarHBondContact O-CG 3.3Å; I44-L48 PolarHBondContact O-N 3.42Å; I44-L58 HydrophobicContact CG2-CD1 4.12Å; I44-L61 HydrophobicContact CD1-CB 4.14Å; I44-L61 HydrophobicContact CG1-CB 3.65Å; I44-L61 HydrophobicContact CG1-CD1 4.23Å; I44-I62 HydrophobicContact CD1-CG1 4.47Å; I44-V65 HydrophobicContact CD1-CB 4.45Å; I44-V65 HydrophobicContact CD1-CG2 3.54Å
45E91.9Very high90.1Very high105 Ų10588 Ų8849%0.49145%0.453SS..Hα-helixtrans-60-40.1178.8-75.5-178.1-175.700112.5M41 R42 L48 K49M41-E45 WeakPolarHBondContact O-CG 3.39Å; M41-E45 PolarHBondContact O-N 2.91Å; R42-E45 PolarHBondContact O-N 3.48Å; E45-L48 PolarHBondContact O-N 3.37Å; E45-K49 WeakPolarHBondContact O-CG 3.44Å; E45-K49 PolarHBondContact O-N 3.34Å
46Q90.1Very high89.8Confident121 Ų12190.2 Ų90.257%0.56546%0.462SS*.Hα-helixtrans-66.5-42.6175.8-74.1177.91000111.3R42 E43 I44 L48 K49R42-Q46 WeakPolarHBondContact O-CB 3.49Å; R42-Q46 VanDerWaalsContact O-CG 3.28Å; R42-Q46 WeakPolarHBondContact O-CG 3.36Å; R42-Q46 PolarHBondContact O-N 3.35Å; E43-Q46 PolarHBondContact O-N 2.9Å; I44-Q46 VanDerWaalsContact C-N 3.3Å; I44-Q46 PolarHBondContact O-N 3.47Å; Q46-L48 VanDerWaalsContact C-N 3.33Å; Q46-L48 PolarHBondContact O-N 2.78Å; Q46-K49 PolarHBondContact O-N 2.91Å
47F89.7Confident89.4Confident58 Ų5890.6 Ų90.625%0.25447%0.468SS..Hα-helixtrans-61.7-40.6176.6-174.9-100.2000112.1E43 I44 K49 G50 V53 H57 L58 L61E43-F47 WeakPolarHBondContact O-CB 3.47Å; E43-F47 PolarHBondContact O-N 2.84Å; I44-F47 PolarHBondContact O-N 3.38Å; F47-K49 VanDerWaalsContact C-N 3.29Å; F47-K49 PolarHBondContact O-N 3.38Å; F47-G50 PolarHBondContact O-N 3.07Å; F47-G50 VanDerWaalsContact O-N 3.14Å; F47-V53 HydrophobicContact CD1-CG1 4.32Å; F47-V53 HydrophobicContact CE1-CG1 3.79Å; F47-H57 HydrophobicContact CE1-CB 4.3Å; F47-H57 HydrophobicContact CE2-CB 3.78Å; F47-H57 HydrophobicContact CZ-CB 3.47Å; F47-H57 VanDerWaalsContact CZ-CB 3.47Å; F47-L58 HydrophobicContact CD1-CB 4.35Å; F47-L58 HydrophobicContact CD1-CD1 4.07Å; F47-L58 HydrophobicContact CE1-CB 3.92Å; F47-L58 HydrophobicContact CE1-CD1 4.47Å; F47-L61 HydrophobicContact CB-CD1 4.06Å; F47-L61 HydrophobicContact CD1-CD1 4.39Å; F47-L61 HydrophobicContact CG-CD1 4.09Å
48L90.5Very high89.2Confident90 Ų9091 Ų9147%0.47147%0.468SS..Hα-helixtrans-69.7-20.6178.7-70.1175.1000114.2I44 E45 Q46 V53 L58I44-L48 HydrophobicContact CG2-CD1 3.83Å; I44-L48 HydrophobicContact CG2-CG 4.22Å; I44-L48 VanDerWaalsContact O-CG 3.3Å; I44-L48 WeakPolarHBondContact O-CG 3.3Å; I44-L48 PolarHBondContact O-N 3.42Å; E45-L48 PolarHBondContact O-N 3.37Å; Q46-L48 VanDerWaalsContact C-N 3.33Å; Q46-L48 PolarHBondContact O-N 2.78Å; L48-V53 HydrophobicContact CD2-CG1 3.91Å; L48-V53 HydrophobicContact CD2-CG2 4.34Å; L48-L58 HydrophobicContact CD2-CD1 4.28Å; L48-L58 HydrophobicContact CD2-CD2 4.29Å
49K90Very high89.1Confident167 Ų16791.5 Ų91.573%0.72647%0.469SS*.THydrogen-bonded Turntrans-78.7-7.8173.1-70.4173.4-170.3177.60113E45 Q46 F47E45-K49 WeakPolarHBondContact O-CG 3.44Å; E45-K49 PolarHBondContact O-N 3.34Å; Q46-K49 PolarHBondContact O-N 2.91Å; F47-K49 VanDerWaalsContact C-N 3.29Å; F47-K49 PolarHBondContact O-N 3.38Å
50G85Confident89Confident31 Ų3192.1 Ų92.132%0.3248%0.477SS..SBendtrans-67.2152.2177.300000112.7F47 V52F47-G50 PolarHBondContact O-N 3.07Å; F47-G50 VanDerWaalsContact O-N 3.14Å; G50-V52 VanDerWaalsContact C-N 3.25Å; G50-V52 PolarHBondContact O-N 3.17Å
51P83.7Confident89Confident141 Ų14191.3 Ų91.392%0.91647%0.472SS*.SBendtrans-66.5-24.9-175.926.4-34.5000113.6
52V84.4Confident89Confident125 Ų12590.5 Ų90.576%0.75847%0.47SS*.SBendtrans-134.8113.3176.8-178.10000108.6G50 S54G50-V52 VanDerWaalsContact C-N 3.25Å; G50-V52 PolarHBondContact O-N 3.17Å; V52-S54 PolarHBondContact O-N 2.76Å
53V83.1Confident89Confident60 Ų6089.3 Ų89.336%0.36447%0.468SS..  trans-89.6106.5177.5-178.90000108.8F47 L48 L58F47-V53 HydrophobicContact CD1-CG1 4.32Å; F47-V53 HydrophobicContact CE1-CG1 3.79Å; L48-V53 HydrophobicContact CD2-CG1 3.91Å; L48-V53 HydrophobicContact CD2-CG2 4.34Å; V53-L58 HydrophobicContact CG1-CD2 4.34Å
54S87Confident89.1Confident38 Ų3885.5 Ų85.527%0.26646%0.456SS..  trans-82.3119.4174.2178.10000110.4V52 N56 H57 L58V52-S54 PolarHBondContact O-N 2.76Å; S54-N56 PolarHBondContact O-N 3.42Å; S54-H57 VanDerWaalsContact CB-ND1 3.32Å; S54-H57 WeakPolarHBondContact CB-ND1 3.38Å; S54-H57 PolarHBondContact O-N 2.95Å; S54-H57 VanDerWaalsContact O-N 3.08Å; S54-H57 PolarHBondContact OG-ND1 3.44Å; S54-H57 VanDerWaalsContact OG-ND1 3.08Å; S54-L58 PolarHBondContact O-N 3.04Å
55V86.1Confident89.2Confident109 Ų10985.6 Ų85.666%0.66146%0.457SS*.Hα-helixtrans-56.1-36.8176.7-1800000111.7H57 L58 R59V55-H57 VanDerWaalsContact C-N 3.26Å; V55-H57 PolarHBondContact O-N 3.45Å; V55-L58 PolarHBondContact O-N 3.3Å; V55-R59 WeakPolarHBondContact O-CB 3.33Å; V55-R59 PolarHBondContact O-N 3.37Å
56N87.8Confident89.3Confident132 Ų13286.1 Ų86.171%0.70646%0.46SS*.Hα-helixtrans-64.7-29-179.8-66.8-17000113.1S54 P60S54-N56 PolarHBondContact O-N 3.42Å; N56-P60 WeakPolarHBondContact O-CD 3.24Å
57H85.1Confident89.6Confident122 Ų12287 Ų8757%0.56546%0.464SS*.Hα-helixtrans-90.5-28.9177-66.190.9000112.2F47 S54 V55 P60F47-H57 HydrophobicContact CE1-CB 4.3Å; F47-H57 HydrophobicContact CE2-CB 3.78Å; F47-H57 HydrophobicContact CZ-CB 3.47Å; F47-H57 VanDerWaalsContact CZ-CB 3.47Å; S54-H57 VanDerWaalsContact CB-ND1 3.32Å; S54-H57 WeakPolarHBondContact CB-ND1 3.38Å; S54-H57 PolarHBondContact O-N 2.95Å; S54-H57 VanDerWaalsContact O-N 3.08Å; S54-H57 PolarHBondContact OG-ND1 3.44Å; S54-H57 VanDerWaalsContact OG-ND1 3.08Å; V55-H57 VanDerWaalsContact C-N 3.26Å; V55-H57 PolarHBondContact O-N 3.45Å; H57-P60 WeakPolarHBondContact O-CD 3.37Å
58L88.8Confident89.8Confident31 Ų3185 Ų8516%0.16246%0.455CS..Hα-helixtrans-69.3-36175.6-176.261000112.2I44 F47 L48 V53 S54 V55 L61 I62I44-L58 HydrophobicContact CG2-CD1 4.12Å; F47-L58 HydrophobicContact CD1-CB 4.35Å; F47-L58 HydrophobicContact CD1-CD1 4.07Å; F47-L58 HydrophobicContact CE1-CB 3.92Å; F47-L58 HydrophobicContact CE1-CD1 4.47Å; L48-L58 HydrophobicContact CD2-CD1 4.28Å; L48-L58 HydrophobicContact CD2-CD2 4.29Å; V53-L58 HydrophobicContact CG1-CD2 4.34Å; S54-L58 PolarHBondContact O-N 3.04Å; V55-L58 PolarHBondContact O-N 3.3Å; L58-L61 PolarHBondContact O-N 2.9Å; L58-I62 HydrophobicContact CD1-CD1 4.24Å; L58-I62 HydrophobicContact CD1-CG1 4.27Å; L58-I62 HydrophobicContact CD2-CD1 4.13Å; L58-I62 HydrophobicContact CG-CD1 3.75Å; L58-I62 HydrophobicContact CG-CG1 4.2Å; L58-I62 WeakPolarHBondContact O-CG1 3.45Å; L58-I62 PolarHBondContact O-N 2.98Å
59R91.4Very high89.9Confident159 Ų15985.5 Ų85.560%0.646%0.458SS*.Hα-helixtrans-59.1-49.5-175.2-175.6-179-146.5-104.314.3113.4V55 L61 I62 E63V55-R59 WeakPolarHBondContact O-CB 3.33Å; V55-R59 PolarHBondContact O-N 3.37Å; R59-L61 VanDerWaalsContact C-N 3.29Å; R59-L61 PolarHBondContact O-N 3.29Å; R59-I62 PolarHBondContact O-N 3.33Å; R59-E63 WeakPolarHBondContact CG-OE1 3.4Å; R59-E63 IonicContact CZ-OE1 2.72Å; R59-E63 IonicContact NE-OE1 3.84Å; R59-E63 IonicContact NH1-OE1 3.74Å; R59-E63 PolarHBondContact NH1-OE1 3.46Å; R59-E63 WeakPolarHBondContact O-CG 3.34Å; R59-E63 PolarHBondContact O-N 2.94Å
60P92.2Very high90.1Very high73 Ų7381.4 Ų81.447%0.47444%0.443SS..Hα-helixtrans-59.4-34.8174.5-25.233.7000114.2N56 H57 E63 G64N56-P60 WeakPolarHBondContact O-CD 3.24Å; H57-P60 WeakPolarHBondContact O-CD 3.37Å; P60-E63 PolarHBondContact O-N 3.17Å; P60-G64 PolarHBondContact O-N 2.85Å
61L92Very high90.5Very high28 Ų2884 Ų8415%0.14745%0.445CS..Hα-helixtrans-68-42.4177.9-63.6175.2000111.5E43 I44 F47 L58 R59 G64 V65E43-L61 HydrophobicContact CG-CD1 4.49Å; E43-L61 HydrophobicContact CG-CD2 3.9Å; E43-L61 WeakPolarHBondContact OE1-CD2 3.2Å; I44-L61 HydrophobicContact CD1-CB 4.14Å; I44-L61 HydrophobicContact CG1-CB 3.65Å; I44-L61 HydrophobicContact CG1-CD1 4.23Å; F47-L61 HydrophobicContact CB-CD1 4.06Å; F47-L61 HydrophobicContact CD1-CD1 4.39Å; F47-L61 HydrophobicContact CG-CD1 4.09Å; L58-L61 PolarHBondContact O-N 2.9Å; R59-L61 VanDerWaalsContact C-N 3.29Å; R59-L61 PolarHBondContact O-N 3.29Å; L61-G64 PolarHBondContact O-N 2.77Å; L61-V65 PolarHBondContact O-N 3.12Å
62I92.4Very high91Very high86 Ų8679.1 Ų79.144%0.44141%0.411SS..Hα-helixtrans-64-44.2174.7-66.8174.7000110.5I44 L58 R59 G64 V65 Q66I44-I62 HydrophobicContact CD1-CG1 4.47Å; L58-I62 HydrophobicContact CD1-CD1 4.24Å; L58-I62 HydrophobicContact CD1-CG1 4.27Å; L58-I62 HydrophobicContact CD2-CD1 4.13Å; L58-I62 HydrophobicContact CG-CD1 3.75Å; L58-I62 HydrophobicContact CG-CG1 4.2Å; L58-I62 WeakPolarHBondContact O-CG1 3.45Å; L58-I62 PolarHBondContact O-N 2.98Å; R59-I62 PolarHBondContact O-N 3.33Å; I62-G64 VanDerWaalsContact C-N 3.31Å; I62-G64 PolarHBondContact O-N 3.06Å; I62-V65 PolarHBondContact O-N 2.88Å; I62-Q66 WeakPolarHBondContact O-CB 3.35Å; I62-Q66 PolarHBondContact O-N 3.46Å
63E94.3Very high91.5Very high73 Ų7379.6 Ų79.634%0.34140%0.403SS..Hα-helixtrans-58.5-43.2175.1-72.6168.6177.500110.7R59 P60 V65 Q66 E67R59-E63 WeakPolarHBondContact CG-OE1 3.4Å; R59-E63 IonicContact CZ-OE1 2.72Å; R59-E63 IonicContact NE-OE1 3.84Å; R59-E63 IonicContact NH1-OE1 3.74Å; R59-E63 PolarHBondContact NH1-OE1 3.46Å; R59-E63 WeakPolarHBondContact O-CG 3.34Å; R59-E63 PolarHBondContact O-N 2.94Å; P60-E63 PolarHBondContact O-N 3.17Å; E63-V65 PolarHBondContact O-N 3.34Å; E63-Q66 WeakPolarHBondContact O-CB 3.49Å; E63-Q66 PolarHBondContact O-N 3.15Å; E63-E67 WeakPolarHBondContact O-CG 3.47Å; E63-E67 PolarHBondContact O-N 3.38Å
64G93.7Very high92.1Very high20 Ų2082.1 Ų82.121%0.20641%0.411CS..Hα-helixtrans-62.2-40.5175.200000113.9P60 L61 I62 Q68P60-G64 PolarHBondContact O-N 2.85Å; L61-G64 PolarHBondContact O-N 2.77Å; I62-G64 VanDerWaalsContact C-N 3.31Å; I62-G64 PolarHBondContact O-N 3.06Å; G64-Q68 WeakPolarHBondContact O-CB 3.13Å; G64-Q68 PolarHBondContact O-N 3.05Å
65V93.7Very high92.4Very high28 Ų2883.5 Ų83.517%0.1741%0.412CS..Hα-helixtrans-64.8-42172.8170.50000111.2L40 I44 L61 I62 E63 Q68 I69L40-V65 HydrophobicContact CB-CG2 3.7Å; I44-V65 HydrophobicContact CD1-CB 4.45Å; I44-V65 HydrophobicContact CD1-CG2 3.54Å; L61-V65 PolarHBondContact O-N 3.12Å; I62-V65 PolarHBondContact O-N 2.88Å; E63-V65 PolarHBondContact O-N 3.34Å; V65-Q68 PolarHBondContact O-N 3.4Å; V65-I69 HydrophobicContact CG1-CD1 3.83Å; V65-I69 HydrophobicContact CG1-CG1 4.39Å; V65-I69 VanDerWaalsContact O-CG1 3.31Å; V65-I69 WeakPolarHBondContact O-CG1 3.33Å; V65-I69 PolarHBondContact O-N 3.47Å
66Q94.7Very high92.7Very high116 Ų11681.7 Ų81.754%0.54240%0.398SS..Hα-helixtrans-60.5-47.2177.3-178.4179.9-3.700111.3I62 E63 Q68 I69 I70I62-Q66 WeakPolarHBondContact O-CB 3.35Å; I62-Q66 PolarHBondContact O-N 3.46Å; E63-Q66 WeakPolarHBondContact O-CB 3.49Å; E63-Q66 PolarHBondContact O-N 3.15Å; Q66-Q68 VanDerWaalsContact C-N 3.32Å; Q66-Q68 PolarHBondContact O-N 3Å; Q66-I69 PolarHBondContact O-N 3.32Å; Q66-I70 HydrophobicContact CG-CD1 4.19Å; Q66-I70 WeakPolarHBondContact O-CG1 3.47Å; Q66-I70 PolarHBondContact O-N 3.25Å
67E95.3Very high93.1Very high139 Ų13981 Ų8165%0.6539%0.392SS*.Hα-helixtrans-59-43.3175-73.9-179-176.600111.8E63 I69 I70 K71E63-E67 WeakPolarHBondContact O-CG 3.47Å; E63-E67 PolarHBondContact O-N 3.38Å; E67-I69 PolarHBondContact O-N 3.17Å; E67-I70 PolarHBondContact O-N 2.93Å; E67-K71 WeakPolarHBondContact O-CB 3.23Å; E67-K71 PolarHBondContact O-N 3.34Å
68Q94.3Very high93.6Very high16 Ų1680.5 Ų80.58%0.07539%0.394CS..Hα-helixtrans-64.8-38.1178.5-176.260.120.600112.2E33 S37 L40 G64 V65 Q66 K71 I72E33-Q68 PolarHBondContact O-NE2 2.94Å; E33-Q68 PolarHBondContact OE2-NE2 3.33Å; S37-Q68 VanDerWaalsContact OG-CG 3.29Å; S37-Q68 WeakPolarHBondContact OG-CG 3.48Å; L40-Q68 HydrophobicContact CD1-CB 3.69Å; L40-Q68 HydrophobicContact CD1-CG 3.97Å; G64-Q68 WeakPolarHBondContact O-CB 3.13Å; G64-Q68 PolarHBondContact O-N 3.05Å; V65-Q68 PolarHBondContact O-N 3.4Å; Q66-Q68 VanDerWaalsContact C-N 3.32Å; Q66-Q68 PolarHBondContact O-N 3Å; Q68-K71 PolarHBondContact O-N 3.47Å; Q68-I72 HydrophobicContact CG-CD1 4.3Å; Q68-I72 WeakPolarHBondContact O-CG1 3.38Å; Q68-I72 PolarHBondContact O-N 2.99Å
69I92.7Very high93.9Very high102 Ų10279.8 Ų79.852%0.52339%0.391SS..Hα-helixtrans-64.2-44.6174.8-70.8167.3000110.9V65 Q66 E67 K71 I72 K73V65-I69 HydrophobicContact CG1-CD1 3.83Å; V65-I69 HydrophobicContact CG1-CG1 4.39Å; V65-I69 VanDerWaalsContact O-CG1 3.31Å; V65-I69 WeakPolarHBondContact O-CG1 3.33Å; V65-I69 PolarHBondContact O-N 3.47Å; Q66-I69 PolarHBondContact O-N 3.32Å; E67-I69 PolarHBondContact O-N 3.17Å; I69-K71 VanDerWaalsContact C-N 3.33Å; I69-K71 PolarHBondContact O-N 3.25Å; I69-I72 PolarHBondContact O-N 2.97Å; I69-K73 WeakPolarHBondContact O-CB 3.26Å; I69-K73 PolarHBondContact O-N 3.37Å
70I94.4Very high94.1Very high81 Ų8175.9 Ų75.942%0.41539%0.385SS..Hα-helixtrans-59.7-47.5177.2-68166.7000109.8Q66 E67 I72 K73 E74Q66-I70 HydrophobicContact CG-CD1 4.19Å; Q66-I70 WeakPolarHBondContact O-CG1 3.47Å; Q66-I70 PolarHBondContact O-N 3.25Å; E67-I70 PolarHBondContact O-N 2.93Å; I70-I72 PolarHBondContact O-N 3.19Å; I70-K73 WeakPolarHBondContact O-CB 3.46Å; I70-K73 PolarHBondContact O-N 2.86Å; I70-K73 VanDerWaalsContact O-N 3.14Å; I70-E74 WeakPolarHBondContact O-CG 3.39Å; I70-E74 PolarHBondContact O-N 3.49Å
71K93.5Very high94.3Very high84 Ų8476.2 Ų76.237%0.36539%0.389SS..Hα-helixtrans-61.7-39.7178.5-173.9177.8-177.2174.50113.2E67 Q68 I69 K75E67-K71 WeakPolarHBondContact O-CB 3.23Å; E67-K71 PolarHBondContact O-N 3.34Å; Q68-K71 PolarHBondContact O-N 3.47Å; I69-K71 VanDerWaalsContact C-N 3.33Å; I69-K71 PolarHBondContact O-N 3.25Å; K71-K75 HydrophobicContact CG-CD 4.39Å; K71-K75 WeakPolarHBondContact O-CB 3.32Å; K71-K75 WeakPolarHBondContact O-CG 3.48Å; K71-K75 PolarHBondContact O-N 3.48Å; K71-K75 VanDerWaalsContact O-N 3.09Å
72I94.2Very high94.4Very high39 Ų3979.9 Ų79.920%0.241%0.405CS..Hα-helixtrans-62.4-46.5173.7-76.8168.6000110.5E33 S37 Q68 I69 I70 E74 K75 L76E33-I72 HydrophobicContact CB-CD1 3.91Å; E33-I72 HydrophobicContact CB-CG1 3.44Å; E33-I72 VanDerWaalsContact CB-CG1 3.44Å; E33-I72 HydrophobicContact CG-CG1 4.21Å; S37-I72 WeakPolarHBondContact OG-CD1 3.4Å; Q68-I72 HydrophobicContact CG-CD1 4.3Å; Q68-I72 WeakPolarHBondContact O-CG1 3.38Å; Q68-I72 PolarHBondContact O-N 2.99Å; I69-I72 PolarHBondContact O-N 2.97Å; I70-I72 PolarHBondContact O-N 3.19Å; I72-E74 PolarHBondContact O-N 3.31Å; I72-K75 PolarHBondContact O-N 2.95Å; I72-L76 WeakPolarHBondContact O-CB 3.42Å; I72-L76 PolarHBondContact O-N 3.45Å
73K94.7Very high94.6Very high135 Ų13578 Ų7859%0.58740%0.395SS*.Hα-helixtrans-58.2-49.1179.9179.6-173.8173.3-1730111I69 I70 L76 M77I69-K73 WeakPolarHBondContact O-CB 3.26Å; I69-K73 PolarHBondContact O-N 3.37Å; I70-K73 WeakPolarHBondContact O-CB 3.46Å; I70-K73 PolarHBondContact O-N 2.86Å; I70-K73 VanDerWaalsContact O-N 3.14Å; K73-L76 PolarHBondContact O-N 3.24Å; K73-M77 HydrophobicContact CG-SD 4.11Å; K73-M77 WeakPolarHBondContact O-CB 3.5Å; K73-M77 VanDerWaalsContact O-CG 3.26Å; K73-M77 WeakPolarHBondContact O-CG 3.33Å; K73-M77 PolarHBondContact O-N 3.44Å
74E95.2Very high94.7Very high114 Ų11481 Ų8153%0.53341%0.406SS..Hα-helixtrans-59.1-52.3178.6-70.9173.2171.400111.5I70 I72 L76 M77 D78I70-E74 WeakPolarHBondContact O-CG 3.39Å; I70-E74 PolarHBondContact O-N 3.49Å; I72-E74 PolarHBondContact O-N 3.31Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 3.1Å; E74-M77 WeakPolarHBondContact O-CB 3.48Å; E74-M77 PolarHBondContact O-N 3.25Å; E74-M77 VanDerWaalsContact O-N 3.15Å; E74-D78 PolarHBondContact O-N 3.5Å
75K94.3Very high94.7Very high67 Ų6783 Ų8329%0.29142%0.421SS..Hα-helixtrans-61.6-39179.4-72.2-178.9175.6-1600113.2T29 E33 K71 I72 D78 C79T29-K75 HydrophobicContact CG2-CB 4.16Å; T29-K75 HydrophobicContact CG2-CD 3.88Å; E33-K75 HydrophobicContact CG-CD 4Å; E33-K75 IonicContact OE1-NZ 2.92Å; E33-K75 PolarHBondContact OE1-NZ 3.49Å; K71-K75 HydrophobicContact CG-CD 4.39Å; K71-K75 WeakPolarHBondContact O-CB 3.32Å; K71-K75 WeakPolarHBondContact O-CG 3.48Å; K71-K75 PolarHBondContact O-N 3.48Å; K71-K75 VanDerWaalsContact O-N 3.09Å; I72-K75 PolarHBondContact O-N 2.95Å; K75-D78 PolarHBondContact O-N 3.3Å; K75-C79 WeakPolarHBondContact O-CB 3.45Å; K75-C79 PolarHBondContact O-N 2.82Å; K75-C79 PolarHBondContact O-SG 3.09Å
76L92.9Very high94.7Very high70 Ų7083.6 Ų83.637%0.36642%0.423SS..Hα-helixtrans-66.2-42.4176.8176.362.8000110.6L30 I72 K73 E74 D78 C79 V80L30-L76 HydrophobicContact CD1-CD1 4.09Å; L30-L76 HydrophobicContact CD2-CB 4.29Å; L30-L76 HydrophobicContact CD2-CD1 3.91Å; I72-L76 WeakPolarHBondContact O-CB 3.42Å; I72-L76 PolarHBondContact O-N 3.45Å; K73-L76 PolarHBondContact O-N 3.24Å; E74-L76 VanDerWaalsContact C-N 3.32Å; E74-L76 PolarHBondContact O-N 3.1Å; L76-D78 VanDerWaalsContact C-N 3.32Å; L76-D78 PolarHBondContact O-N 3.43Å; L76-C79 PolarHBondContact O-N 3.49Å; L76-V80 HydrophobicContact CD1-CG2 3.86Å; L76-V80 HydrophobicContact CG-CG2 4.27Å; L76-V80 WeakPolarHBondContact O-CB 3.4Å; L76-V80 VanDerWaalsContact O-CG2 3.23Å; L76-V80 WeakPolarHBondContact O-CG2 3.42Å; L76-V80 PolarHBondContact O-N 3.01Å
77M95.7Very high94.8Very high119 Ų11981 Ų8159%0.58642%0.415SS*.Hα-helixtrans-60.4-42.9176.2-75.1179.662.900111.6K73 E74 V80 S81K73-M77 HydrophobicContact CG-SD 4.11Å; K73-M77 WeakPolarHBondContact O-CB 3.5Å; K73-M77 VanDerWaalsContact O-CG 3.26Å; K73-M77 WeakPolarHBondContact O-CG 3.33Å; K73-M77 PolarHBondContact O-N 3.44Å; E74-M77 WeakPolarHBondContact O-CB 3.48Å; E74-M77 PolarHBondContact O-N 3.25Å; E74-M77 VanDerWaalsContact O-N 3.15Å; M77-V80 PolarHBondContact O-N 3.07Å; M77-S81 VanDerWaalsContact O-CB 3.26Å; M77-S81 WeakPolarHBondContact O-CB 3.36Å; M77-S81 PolarHBondContact O-N 3.19Å
78D95.5Very high94.8Very high111 Ų11178 Ų7859%0.59440%0.404SS*.Hα-helixtrans-63.1-47176.3-69.5-20.3000111.9E74 K75 L76 V80 S81 Q82E74-D78 PolarHBondContact O-N 3.5Å; K75-D78 PolarHBondContact O-N 3.3Å; L76-D78 VanDerWaalsContact C-N 3.32Å; L76-D78 PolarHBondContact O-N 3.43Å; D78-V80 PolarHBondContact O-N 3.36Å; D78-S81 PolarHBondContact O-N 2.93Å; D78-Q82 WeakPolarHBondContact O-CB 3.5Å; D78-Q82 PolarHBondContact O-N 2.98Å
79C94.6Very high94.8Very high16 Ų1679.3 Ų79.311%0.10842%0.415CS..Hα-helixtrans-60.3-47.6177.9-68.70000111.6A26 K75 L76 S81 Q82 E83A26-C79 HydrophobicContact CB-CB 3.68Å; K75-C79 WeakPolarHBondContact O-CB 3.45Å; K75-C79 PolarHBondContact O-N 2.82Å; K75-C79 PolarHBondContact O-SG 3.09Å; L76-C79 PolarHBondContact O-N 3.49Å; C79-S81 VanDerWaalsContact C-N 3.34Å; C79-S81 PolarHBondContact O-N 3.46Å; C79-Q82 PolarHBondContact O-N 3.42Å; C79-E83 WeakPolarHBondContact O-CB 3.44Å; C79-E83 WeakPolarHBondContact O-CG 3.49Å; C79-E83 PolarHBondContact O-N 3.35Å
80V94.8Very high94.8Very high77 Ų7776 Ų7647%0.46740%0.398SS..Hα-helixtrans-63.5-40.9179.1169.80000111L76 M77 D78 K84L76-V80 HydrophobicContact CD1-CG2 3.86Å; L76-V80 HydrophobicContact CG-CG2 4.27Å; L76-V80 WeakPolarHBondContact O-CB 3.4Å; L76-V80 VanDerWaalsContact O-CG2 3.23Å; L76-V80 WeakPolarHBondContact O-CG2 3.42Å; L76-V80 PolarHBondContact O-N 3.01Å; M77-V80 PolarHBondContact O-N 3.07Å; D78-V80 PolarHBondContact O-N 3.36Å; V80-K84 WeakPolarHBondContact O-CB 3.31Å; V80-K84 PolarHBondContact O-N 3.46Å
81S96.5Very high94.9Very high79 Ų7978.7 Ų78.755%0.55241%0.406SS*.Hα-helixtrans-60.8-46.7176.4-1770000111.4M77 D78 C79 K84 A85M77-S81 VanDerWaalsContact O-CB 3.26Å; M77-S81 WeakPolarHBondContact O-CB 3.36Å; M77-S81 PolarHBondContact O-N 3.19Å; D78-S81 PolarHBondContact O-N 2.93Å; C79-S81 VanDerWaalsContact C-N 3.34Å; C79-S81 PolarHBondContact O-N 3.46Å; S81-K84 PolarHBondContact O-N 2.98Å; S81-A85 PolarHBondContact O-N 3.44Å
82Q95.2Very high94.9Very high106 Ų10677.6 Ų77.650%0.49541%0.407SS..Hα-helixtrans-64.9-46.6178.7-173.6177.911.900112.2D78 C79 K84 A85 L86D78-Q82 WeakPolarHBondContact O-CB 3.5Å; D78-Q82 PolarHBondContact O-N 2.98Å; C79-Q82 PolarHBondContact O-N 3.42Å; Q82-K84 VanDerWaalsContact C-N 3.31Å; Q82-K84 PolarHBondContact O-N 3.03Å; Q82-A85 PolarHBondContact O-N 3.37Å; Q82-L86 HydrophobicContact CG-CD1 4.32Å; Q82-L86 WeakPolarHBondContact O-CG 3.28Å; Q82-L86 PolarHBondContact O-N 2.88Å; Q82-L86 VanDerWaalsContact O-N 3.07Å
83E95.5Very high94.9Very high47 Ų4776 Ų7622%0.2240%0.398CS..Hα-helixtrans-61.4-40.5176.8-75.7-179.2-168.600111.8L19 A22 F23 A26 C79 L86 T87L19-E83 HydrophobicContact CD1-CB 4.33Å; L19-E83 HydrophobicContact CD1-CG 4.47Å; A22-E83 HydrophobicContact CB-CG 4.31Å; F23-E83 VanDerWaalsContact CA-OE1 3.3Å; F23-E83 WeakPolarHBondContact CA-OE1 3.5Å; A26-E83 WeakPolarHBondContact CB-OE1 3.44Å; C79-E83 WeakPolarHBondContact O-CB 3.44Å; C79-E83 WeakPolarHBondContact O-CG 3.49Å; C79-E83 PolarHBondContact O-N 3.35Å; E83-L86 PolarHBondContact O-N 3.35Å; E83-T87 VanDerWaalsContact O-CB 3.29Å; E83-T87 WeakPolarHBondContact O-CB 3.45Å; E83-T87 PolarHBondContact O-N 3.49Å; E83-T87 PolarHBondContact O-OG1 3.35Å
84K96.3Very high94.8Very high135 Ų13572.2 Ų72.259%0.58738%0.384SS*.Hα-helixtrans-62-47.6176.2-176178.6179.3-176.20111.4V80 S81 Q82 L86 T87 D88V80-K84 WeakPolarHBondContact O-CB 3.31Å; V80-K84 PolarHBondContact O-N 3.46Å; S81-K84 PolarHBondContact O-N 2.98Å; Q82-K84 VanDerWaalsContact C-N 3.31Å; Q82-K84 PolarHBondContact O-N 3.03Å; K84-L86 VanDerWaalsContact C-N 3.33Å; K84-L86 PolarHBondContact O-N 2.89Å; K84-T87 WeakPolarHBondContact O-CB 3.44Å; K84-T87 PolarHBondContact O-N 2.94Å; K84-T87 VanDerWaalsContact O-N 3.16Å; K84-D88 WeakPolarHBondContact O-CB 3.34Å; K84-D88 PolarHBondContact O-N 2.96Å
85A95.1Very high94.7Very high62 Ų6270.9 Ų70.951%0.51238%0.384SS..Hα-helixtrans-59.4-42.9178.300000112.3S81 Q82 D88 S89S81-A85 PolarHBondContact O-N 3.44Å; Q82-A85 PolarHBondContact O-N 3.37Å; A85-D88 PolarHBondContact O-N 3.3Å; A85-S89 WeakPolarHBondContact O-CB 3.3Å; A85-S89 PolarHBondContact O-N 2.87Å
86L94.1Very high94.5Very high40 Ų4069.4 Ų69.421%0.20938%0.378CS..Hα-helixtrans-67.1-38.2176.2-69.5171.9000112.1E18 L19 A22 Q82 E83 K84 S89 L90E18-L86 HydrophobicContact CB-CD2 4.2Å; L19-L86 HydrophobicContact CB-CB 4.29Å; L19-L86 HydrophobicContact CD1-CB 3.97Å; A22-L86 HydrophobicContact CB-CD1 3.58Å; Q82-L86 HydrophobicContact CG-CD1 4.32Å; Q82-L86 WeakPolarHBondContact O-CG 3.28Å; Q82-L86 PolarHBondContact O-N 2.88Å; Q82-L86 VanDerWaalsContact O-N 3.07Å; E83-L86 PolarHBondContact O-N 3.35Å; K84-L86 VanDerWaalsContact C-N 3.33Å; K84-L86 PolarHBondContact O-N 2.89Å; L86-S89 PolarHBondContact O-N 3.1Å; L86-L90 PolarHBondContact O-N 3.44Å
87T96.1Very high94.4Very high63 Ų6366.6 Ų66.639%0.38736%0.364SS..Hα-helixtrans-65.5-44.1176.1-600000111.5E83 K84 S89 L90 K91E83-T87 VanDerWaalsContact O-CB 3.29Å; E83-T87 WeakPolarHBondContact O-CB 3.45Å; E83-T87 PolarHBondContact O-N 3.49Å; E83-T87 PolarHBondContact O-OG1 3.35Å; K84-T87 WeakPolarHBondContact O-CB 3.44Å; K84-T87 PolarHBondContact O-N 2.94Å; K84-T87 VanDerWaalsContact O-N 3.16Å; T87-S89 VanDerWaalsContact C-N 3.34Å; T87-S89 PolarHBondContact O-N 3.08Å; T87-L90 PolarHBondContact O-N 3.46Å; T87-K91 WeakPolarHBondContact O-CB 3.36Å; T87-K91 PolarHBondContact O-N 3.48Å
88D95.8Very high94.1Very high76 Ų7666.2 Ų66.241%0.40636%0.359SS..Hα-helixtrans-65.1-38.6177.7-72.7-26000111.4K84 A85 K91 T92K84-D88 WeakPolarHBondContact O-CB 3.34Å; K84-D88 PolarHBondContact O-N 2.96Å; A85-D88 PolarHBondContact O-N 3.3Å; D88-K91 PolarHBondContact O-N 3.23Å; D88-T92 WeakPolarHBondContact O-CB 3.42Å; D88-T92 PolarHBondContact O-N 3.13Å; D88-T92 PolarHBondContact O-OG1 3.5Å
89S93.1Very high93.7Very high43 Ų4362.8 Ų62.830%0.30135%0.346SS..Hα-helixtrans-60.2-47.9171.4-179.20000111.6A85 L86 T87 K91 T92 K93A85-S89 WeakPolarHBondContact O-CB 3.3Å; A85-S89 PolarHBondContact O-N 2.87Å; L86-S89 PolarHBondContact O-N 3.1Å; T87-S89 VanDerWaalsContact C-N 3.34Å; T87-S89 PolarHBondContact O-N 3.08Å; S89-K91 VanDerWaalsContact C-N 3.33Å; S89-K91 PolarHBondContact O-N 2.82Å; S89-T92 WeakPolarHBondContact O-CB 3.47Å; S89-T92 PolarHBondContact O-N 3.33Å; S89-K93 PolarHBondContact O-N 2.91Å
90L94Very high93.2Very high33 Ų3364.8 Ų64.817%0.17335%0.353CS..Hα-helixtrans-63.9-39.2178.2-173.465.1000111.8L12 L19 L86 T87 T92 K93 L94L12-L90 HydrophobicContact CB-CD1 4.39Å; L12-L90 HydrophobicContact CD2-CD1 3.9Å; L19-L90 HydrophobicContact CD2-CD2 4.36Å; L86-L90 PolarHBondContact O-N 3.44Å; T87-L90 PolarHBondContact O-N 3.46Å; L90-T92 VanDerWaalsContact C-N 3.33Å; L90-T92 PolarHBondContact O-N 2.86Å; L90-K93 PolarHBondContact O-N 3.32Å; L90-L94 WeakPolarHBondContact O-CB 3.38Å; L90-L94 PolarHBondContact O-N 2.93Å
91K95.5Very high92.7Very high136 Ų13669.5 Ų69.559%0.59136%0.363SS*.Hα-helixtrans-63.2-39.6175.1-172.5177.1179.2-177.70111.6T87 D88 S89 L94 T95T87-K91 WeakPolarHBondContact O-CB 3.36Å; T87-K91 PolarHBondContact O-N 3.48Å; D88-K91 PolarHBondContact O-N 3.23Å; S89-K91 VanDerWaalsContact C-N 3.33Å; S89-K91 PolarHBondContact O-N 2.82Å; K91-L94 PolarHBondContact O-N 2.97Å; K91-T95 WeakPolarHBondContact O-CB 3.21Å; K91-T95 PolarHBondContact O-N 3.22Å; K91-T95 PolarHBondContact O-OG1 3.46Å
92T94.2Very high92.1Very high61 Ų6169.3 Ų69.337%0.37436%0.355SS..Hα-helixtrans-61.4-48.6175.2-58.90000111D88 S89 L90 L94 T95 H96 Q142 V143D88-T92 WeakPolarHBondContact O-CB 3.42Å; D88-T92 PolarHBondContact O-N 3.13Å; D88-T92 PolarHBondContact O-OG1 3.5Å; S89-T92 WeakPolarHBondContact O-CB 3.47Å; S89-T92 PolarHBondContact O-N 3.33Å; L90-T92 VanDerWaalsContact C-N 3.33Å; L90-T92 PolarHBondContact O-N 2.86Å; T92-L94 PolarHBondContact O-N 2.73Å; T92-T95 PolarHBondContact O-N 2.93Å; T92-H96 WeakPolarHBondContact O-CB 3.4Å; T92-H96 PolarHBondContact O-N 3.22Å; T92-Q142 HydrophobicContact CG2-CG 4.03Å; T92-V143 HydrophobicContact CG2-CG1 4.24Å
93K93.9Very high91.5Very high6 Ų672.8 Ų72.83%0.02637%0.369CS..Hα-helixtrans-59-45.7174.5-71178.7177.8-1680112.5T11 L12 S15 S89 L90 T95 H96 L97 V143 T144 N145T11-K93 HydrophobicContact CG2-CD 4.29Å; T11-K93 WeakPolarHBondContact O-CD 3.47Å; L12-K93 HydrophobicContact CD2-CB 3.74Å; S15-K93 PolarHBondContact OG-NZ 3.35Å; S89-K93 PolarHBondContact O-N 2.91Å; L90-K93 PolarHBondContact O-N 3.32Å; K93-T95 VanDerWaalsContact C-N 3.34Å; K93-T95 PolarHBondContact O-N 2.9Å; K93-H96 WeakPolarHBondContact O-CB 3.48Å; K93-H96 PolarHBondContact O-N 3.49Å; K93-L97 WeakPolarHBondContact O-CG 3.26Å; K93-L97 PolarHBondContact O-N 3.49Å; K93-V143 HydrophobicContact CG-CB 4.32Å; K93-T144 VanDerWaalsContact CE-O 3.24Å; K93-T144 WeakPolarHBondContact CE-O 3.49Å; K93-T144 PolarHBondContact NZ-O 3.31Å; K93-N145 PolarHBondContact NZ-OD1 2.77Å
94L92.5Very high91Very high55 Ų5577.9 Ų77.929%0.28840%0.397SS..Hα-helixtrans-64.1-40.5179.3-177.662.8000112W5 L12 L90 K91 T92 L97 K98W5-L94 HydrophobicContact CH2-CD1 4.26Å; L12-L94 HydrophobicContact CD1-CD1 4.38Å; L90-L94 WeakPolarHBondContact O-CB 3.38Å; L90-L94 PolarHBondContact O-N 2.93Å; K91-L94 PolarHBondContact O-N 2.97Å; T92-L94 PolarHBondContact O-N 2.73Å; L94-L97 PolarHBondContact O-N 3.37Å; L94-K98 HydrophobicContact CG-CD 4.35Å; L94-K98 VanDerWaalsContact O-CG 3.32Å; L94-K98 WeakPolarHBondContact O-CG 3.45Å; L94-K98 PolarHBondContact O-N 2.97Å
95T92Very high90.4Very high86 Ų8676 Ų7653%0.52839%0.392SS..Hα-helixtrans-65.4-44178.3-56.80000110.1K91 T92 K93 L97 K98 A99K91-T95 WeakPolarHBondContact O-CB 3.21Å; K91-T95 PolarHBondContact O-N 3.22Å; K91-T95 PolarHBondContact O-OG1 3.46Å; T92-T95 PolarHBondContact O-N 2.93Å; K93-T95 VanDerWaalsContact C-N 3.34Å; K93-T95 PolarHBondContact O-N 2.9Å; T95-L97 PolarHBondContact O-N 3.2Å; T95-K98 PolarHBondContact O-N 2.93Å; T95-A99 PolarHBondContact O-N 3.33Å
96H91Very high90Very high36 Ų3676 Ų7617%0.16738%0.382CS..Hα-helixtrans-57.3-47.6173.8178.480.1000112.1T92 K93 K98 A99 F109 R116 V143T92-H96 WeakPolarHBondContact O-CB 3.4Å; T92-H96 PolarHBondContact O-N 3.22Å; K93-H96 WeakPolarHBondContact O-CB 3.48Å; K93-H96 PolarHBondContact O-N 3.49Å; H96-K98 VanDerWaalsContact C-N 3.29Å; H96-K98 PolarHBondContact O-N 3.1Å; H96-A99 WeakPolarHBondContact O-CB 3.49Å; H96-A99 PolarHBondContact O-N 3.36Å; H96-A99 VanDerWaalsContact O-N 3.14Å; H96-F109 WeakPolarHBondContact O-CE2 3.34Å; H96-R116 PolarHBondContact CD2-NH1 3.2Å; H96-R116 PolarHBondContact NE2-NH1 3.37Å; H96-V143 HydrophobicContact CB-CG1 3.71Å
97L90.7Very high89.7Confident12 Ų1279.7 Ų79.76%0.06340%0.401CS..Hα-helixtrans-66.7-29.6178.8-67.8176.7000113.3I4 E8 L12 K93 L94 T95 A99I4-L97 HydrophobicContact CG2-CD2 4.44Å; E8-L97 HydrophobicContact CB-CD1 4.13Å; E8-L97 HydrophobicContact CB-CD2 3.91Å; E8-L97 HydrophobicContact CG-CD2 3.81Å; L12-L97 HydrophobicContact CD1-CD1 3.83Å; L12-L97 HydrophobicContact CD2-CD1 4Å; L12-L97 HydrophobicContact CG-CD1 3.8Å; K93-L97 WeakPolarHBondContact O-CG 3.26Å; K93-L97 PolarHBondContact O-N 3.49Å; L94-L97 PolarHBondContact O-N 3.37Å; T95-L97 PolarHBondContact O-N 3.2Å; L97-A99 VanDerWaalsContact C-N 3.27Å; L97-A99 PolarHBondContact O-N 3.15Å
98K89.5Confident89.3Confident111 Ų11178.3 Ų78.348%0.48339%0.394SS..Hα-helixtrans-70.9-21.3174.8-76.2175.3178.4179.70113L94 T95 H96 H100 R101L94-K98 HydrophobicContact CG-CD 4.35Å; L94-K98 VanDerWaalsContact O-CG 3.32Å; L94-K98 WeakPolarHBondContact O-CG 3.45Å; L94-K98 PolarHBondContact O-N 2.97Å; T95-K98 PolarHBondContact O-N 2.93Å; H96-K98 VanDerWaalsContact C-N 3.29Å; H96-K98 PolarHBondContact O-N 3.1Å; K98-H100 PolarHBondContact O-N 2.96Å; K98-H100 VanDerWaalsContact O-N 3.12Å; K98-R101 WeakPolarHBondContact O-CB 3.4Å; K98-R101 PolarHBondContact O-N 3.09Å; K98-R101 VanDerWaalsContact O-N 3.08Å
99A87.6Confident89.1Confident39 Ų3975 Ų7532%0.32238%0.376SS..G310 helixtrans-60.8-19.4178.200000113.1T95 H96 L97 R101 D102 F109T95-A99 PolarHBondContact O-N 3.33Å; H96-A99 WeakPolarHBondContact O-CB 3.49Å; H96-A99 PolarHBondContact O-N 3.36Å; H96-A99 VanDerWaalsContact O-N 3.14Å; L97-A99 VanDerWaalsContact C-N 3.27Å; L97-A99 PolarHBondContact O-N 3.15Å; A99-R101 PolarHBondContact O-N 2.98Å; A99-D102 VanDerWaalsContact O-CB 3.32Å; A99-D102 WeakPolarHBondContact O-CB 3.45Å; A99-D102 PolarHBondContact O-N 3.44Å; A99-F109 HydrophobicContact CB-CD2 4.19Å
100H83.9Confident88.9Confident58 Ų5879.8 Ų79.827%0.26939%0.388SS..G310 helixtrans-55.4-24.9171.5-179.960000114.4I4 K98 D102 F109I4-H100 HydrophobicContact CD1-CB 3.56Å; I4-H100 WeakPolarHBondContact CD1-CD2 3.5Å; K98-H100 PolarHBondContact O-N 2.96Å; K98-H100 VanDerWaalsContact O-N 3.12Å; H100-D102 PolarHBondContact O-N 2.85Å; H100-F109 HydrophobicContact CB-CD1 3.88Å; H100-F109 HydrophobicContact CB-CE1 3.48Å; H100-F109 VanDerWaalsContact CB-CE1 3.48Å; H100-F109 HydrophobicContact CB-CE2 4.17Å; H100-F109 HydrophobicContact CB-CG 4.38Å; H100-F109 HydrophobicContact CB-CZ 3.65Å; H100-F109 AromaticContact CG-CE1 3.79Å; H100-F109 AromaticContact ND1-CD1 3.66Å; H100-F109 AromaticContact ND1-CE1 3.6Å
101R83.2Confident88.8Confident176 Ų17685.5 Ų85.566%0.66441%0.407SS*.G310 helixtrans-75-15.7179.5-62.9-179.3178.5-166.4-3.1112.7K98 A99K98-R101 WeakPolarHBondContact O-CB 3.4Å; K98-R101 PolarHBondContact O-N 3.09Å; K98-R101 VanDerWaalsContact O-N 3.08Å; A99-R101 PolarHBondContact O-N 2.98Å
102D85.5Confident88.7Confident74 Ų7481.4 Ų81.440%0.39639%0.391SS..  trans-84.5113.2178.8-168.4-16.5000109.5A99 H100 D104 M105 E106A99-D102 VanDerWaalsContact O-CB 3.32Å; A99-D102 WeakPolarHBondContact O-CB 3.45Å; A99-D102 PolarHBondContact O-N 3.44Å; H100-D102 PolarHBondContact O-N 2.85Å; D102-D104 VanDerWaalsContact C-N 3.28Å; D102-D104 PolarHBondContact O-N 3.15Å; D102-D104 PolarHBondContact OD1-N 3.29Å; D102-M105 HydrophobicContact CB-CB 4.27Å; D102-M105 HydrophobicContact CB-CG 4.49Å; D102-M105 PolarHBondContact O-N 3.31Å; D102-E106 PolarHBondContact O-N 2.98Å
103K82.2Confident88.6Confident180 Ų18080.1 Ų80.178%0.78338%0.38SS*.G310 helixtrans-68.8-29.7-178.5-69-171.1177.8-175.60112M105 E106K103-M105 PolarHBondContact O-N 3.44Å; K103-E106 PolarHBondContact O-N 3.26Å
104D84.8Confident88.6Confident153 Ų15384.4 Ų84.482%0.81840%0.402SS*.G310 helixtrans-72-19.4-178.1-61.8-27000111.3D102D102-D104 VanDerWaalsContact C-N 3.28Å; D102-D104 PolarHBondContact O-N 3.15Å; D102-D104 PolarHBondContact OD1-N 3.29Å
105M83Confident88.7Confident95 Ų9583.6 Ų83.647%0.46840%0.397SS..G310 helixtrans-110.514.1-177.9-61.2-63.5-77.100113.1D102 K103 D107 S108 F109D102-M105 HydrophobicContact CB-CB 4.27Å; D102-M105 HydrophobicContact CB-CG 4.49Å; D102-M105 PolarHBondContact O-N 3.31Å; K103-M105 PolarHBondContact O-N 3.44Å; M105-D107 PolarHBondContact O-N 3.16Å; M105-S108 PolarHBondContact O-N 2.97Å; M105-S108 PolarHBondContact O-OG 3.35Å; M105-F109 WeakPolarHBondContact O-CB 3.43Å; M105-F109 PolarHBondContact O-N 3.49Å
106E86.6Confident88.9Confident64 Ų6479.8 Ų79.830%0.29937%0.373SS..Hα-helixtrans-62.8-47.4-170.9-176.8166.7-165.900113D102 K103 F109 R110D102-E106 PolarHBondContact O-N 2.98Å; K103-E106 PolarHBondContact O-N 3.26Å; E106-F109 PolarHBondContact O-N 3.23Å; E106-R110 HydrophobicContact CG-CG 4.5Å; E106-R110 WeakPolarHBondContact O-CB 3.42Å; E106-R110 VanDerWaalsContact O-CG 3.26Å; E106-R110 WeakPolarHBondContact O-CG 3.41Å; E106-R110 PolarHBondContact O-N 3.43Å; E106-R110 IonicContact OE1-CZ 3.95Å; E106-R110 VanDerWaalsContact OE1-CZ 3.26Å; E106-R110 IonicContact OE1-NE 3.73Å; E106-R110 PolarHBondContact OE1-NE 2.84Å; E106-R110 IonicContact OE1-NH2 3.32Å; E106-R110 PolarHBondContact OE1-NH2 3.29Å
107D87.8Confident89Confident116 Ų11678.6 Ų78.662%0.6237%0.368SS*.Hα-helixtrans-68.3-40-178.5-75.7-22.8000112.6M105 R110 R111M105-D107 PolarHBondContact O-N 3.16Å; D107-R110 PolarHBondContact O-N 3.01Å; D107-R111 PolarHBondContact O-N 3.2Å; D107-R111 VanDerWaalsContact O-N 3.1Å
108S89.3Confident89.3Confident35 Ų3580.3 Ų80.325%0.24538%0.377CS..Hα-helixtrans-66.2-42.8176.1660000110.4M105 R111 L112M105-S108 PolarHBondContact O-N 2.97Å; M105-S108 PolarHBondContact O-OG 3.35Å; S108-R111 PolarHBondContact O-N 3.43Å; S108-L112 VanDerWaalsContact O-CG 3.32Å; S108-L112 WeakPolarHBondContact O-CG 3.25Å; S108-L112 PolarHBondContact O-N 3.35Å
109F90.2Very high89.6Confident6 Ų675.1 Ų75.13%0.02635%0.354CS..Hα-helixtrans-61.4-45175.2178.5-94.4000112.2I4 H96 A99 H100 M105 E106 R111 L112 R113I4-F109 HydrophobicContact CD1-CE1 4.28Å; I4-F109 HydrophobicContact CD1-CZ 4.49Å; H96-F109 WeakPolarHBondContact O-CE2 3.34Å; A99-F109 HydrophobicContact CB-CD2 4.19Å; H100-F109 HydrophobicContact CB-CD1 3.88Å; H100-F109 HydrophobicContact CB-CE1 3.48Å; H100-F109 VanDerWaalsContact CB-CE1 3.48Å; H100-F109 HydrophobicContact CB-CE2 4.17Å; H100-F109 HydrophobicContact CB-CG 4.38Å; H100-F109 HydrophobicContact CB-CZ 3.65Å; H100-F109 AromaticContact CG-CE1 3.79Å; H100-F109 AromaticContact ND1-CD1 3.66Å; H100-F109 AromaticContact ND1-CE1 3.6Å; M105-F109 WeakPolarHBondContact O-CB 3.43Å; M105-F109 PolarHBondContact O-N 3.49Å; E106-F109 PolarHBondContact O-N 3.23Å; F109-R111 VanDerWaalsContact C-N 3.32Å; F109-R111 PolarHBondContact O-N 3.3Å; F109-L112 PolarHBondContact O-N 3.03Å; F109-R113 HydrophobicContact CE1-CB 4.39Å; F109-R113 VanDerWaalsContact O-CB 3.23Å; F109-R113 WeakPolarHBondContact O-CB 3.41Å; F109-R113 PolarHBondContact O-N 3.47Å
110R89.9Confident89.9Confident144 Ų14473.9 Ų73.954%0.54334%0.342SS..Hα-helixtrans-58.9-43.1177.4-76.3171.5178.7-162.40.6111.7E106 D107 R113 L114E106-R110 HydrophobicContact CG-CG 4.5Å; E106-R110 WeakPolarHBondContact O-CB 3.42Å; E106-R110 VanDerWaalsContact O-CG 3.26Å; E106-R110 WeakPolarHBondContact O-CG 3.41Å; E106-R110 PolarHBondContact O-N 3.43Å; E106-R110 IonicContact OE1-CZ 3.95Å; E106-R110 VanDerWaalsContact OE1-CZ 3.26Å; E106-R110 IonicContact OE1-NE 3.73Å; E106-R110 PolarHBondContact OE1-NE 2.84Å; E106-R110 IonicContact OE1-NH2 3.32Å; E106-R110 PolarHBondContact OE1-NH2 3.29Å; D107-R110 PolarHBondContact O-N 3.01Å; R110-R113 PolarHBondContact O-N 2.97Å; R110-L114 PolarHBondContact O-N 2.54Å
111R91.8Very high90.5Very high153 Ų15375 Ų7558%0.57735%0.345SS*.Hα-helixtrans-62.7-51.5176.3-169.3-174.8-54.2130.16.6111.8D107 S108 F109 R113 L114 E115D107-R111 PolarHBondContact O-N 3.2Å; D107-R111 VanDerWaalsContact O-N 3.1Å; S108-R111 PolarHBondContact O-N 3.43Å; F109-R111 VanDerWaalsContact C-N 3.32Å; F109-R111 PolarHBondContact O-N 3.3Å; R111-R113 VanDerWaalsContact C-N 3.27Å; R111-R113 PolarHBondContact O-N 3.14Å; R111-L114 WeakPolarHBondContact O-CB 3.39Å; R111-L114 PolarHBondContact O-N 2.98Å; R111-E115 WeakPolarHBondContact O-CG 3.28Å; R111-E115 PolarHBondContact O-N 3.36Å
112L92.9Very high91.1Very high50 Ų5068.7 Ų68.726%0.26232%0.323SS..Hα-helixtrans-64.3-32.7179.7-64.8178.1000112.3S108 F109 R116 I140S108-L112 VanDerWaalsContact O-CG 3.32Å; S108-L112 WeakPolarHBondContact O-CG 3.25Å; S108-L112 PolarHBondContact O-N 3.35Å; F109-L112 PolarHBondContact O-N 3.03Å; L112-R116 WeakPolarHBondContact O-CB 3.39Å; L112-R116 PolarHBondContact O-N 2.94Å; L112-I140 HydrophobicContact CB-CG2 4.31Å; L112-I140 HydrophobicContact CD2-CG2 3.77Å; L112-I140 HydrophobicContact CG-CG2 4.47Å
113R93Very high91.5Very high33 Ų3365.2 Ų65.213%0.12531%0.305CS..Hα-helixtrans-62.8-48.2173.1-177-178-177-174.6-0.2111D3 E8 F109 R110 R111 R116 I117D3-R113 PolarHBondContact O-NH2 3.45Å; D3-R113 IonicContact OD2-CZ 3.38Å; D3-R113 IonicContact OD2-NH1 3.41Å; D3-R113 PolarHBondContact OD2-NH1 3.29Å; D3-R113 IonicContact OD2-NH2 2.73Å; E8-R113 WeakPolarHBondContact OE1-CG 3.3Å; E8-R113 IonicContact OE1-NE 3.26Å; F109-R113 HydrophobicContact CE1-CB 4.39Å; F109-R113 VanDerWaalsContact O-CB 3.23Å; F109-R113 WeakPolarHBondContact O-CB 3.41Å; F109-R113 PolarHBondContact O-N 3.47Å; R110-R113 PolarHBondContact O-N 2.97Å; R111-R113 VanDerWaalsContact C-N 3.27Å; R111-R113 PolarHBondContact O-N 3.14Å; R113-R116 PolarHBondContact O-N 3.07Å; R113-I117 HydrophobicContact CG-CD1 4.07Å; R113-I117 WeakPolarHBondContact O-CG1 3.47Å; R113-I117 PolarHBondContact O-N 3.29Å
114L92.8Very high91.9Very high96 Ų9657.7 Ų57.750%0.50327%0.272SS..Hα-helixtrans-60.1-46.5176.817761.4000111.2R110 R111 R116 I117 L118R110-L114 PolarHBondContact O-N 2.54Å; R111-L114 WeakPolarHBondContact O-CB 3.39Å; R111-L114 PolarHBondContact O-N 2.98Å; L114-R116 VanDerWaalsContact C-N 3.33Å; L114-R116 PolarHBondContact O-N 2.69Å; L114-I117 PolarHBondContact O-N 2.9Å; L114-L118 HydrophobicContact CD1-CD1 4.31Å; L114-L118 HydrophobicContact CD1-CG 4.28Å; L114-L118 HydrophobicContact CG-CD1 4.08Å; L114-L118 HydrophobicContact CG-CG 4.47Å; L114-L118 WeakPolarHBondContact O-CG 3.3Å; L114-L118 PolarHBondContact O-N 3.49Å
115E95.1Very high92.2Very high39 Ų3952.9 Ų52.918%0.18225%0.249CC..Hα-helixtrans-61.6-40.4179-70.1175.4159.700111.9R111 L118 V119 S138 I140R111-E115 WeakPolarHBondContact O-CG 3.28Å; R111-E115 PolarHBondContact O-N 3.36Å; E115-L118 PolarHBondContact O-N 2.9Å; E115-V119 VanDerWaalsContact O-CG2 3.28Å; E115-V119 WeakPolarHBondContact O-CG2 3.31Å; E115-V119 PolarHBondContact O-N 3.4Å; E115-S138 PolarHBondContact OE1-OG 3.47Å; E115-S138 WeakPolarHBondContact OE2-CB 3.38Å; E115-S138 PolarHBondContact OE2-OG 2.97Å; E115-I140 HydrophobicContact CB-CD1 3.85Å
116R95.2Very high92.5Very high5 Ų549.7 Ų49.72%0.01924%0.24CC..Hα-helixtrans-63.6-43.4173.6-179.4177.854.9-98.4-0.1112.4E8 H96 L112 R113 L114 L118 V119 D120 I140 T144E8-R116 IonicContact OE1-CZ 3.26Å; E8-R116 IonicContact OE1-NE 3.97Å; E8-R116 PolarHBondContact OE1-NE 3.27Å; E8-R116 IonicContact OE1-NH2 2.65Å; E8-R116 PolarHBondContact OE1-NH2 2.92Å; E8-R116 IonicContact OE2-CZ 3.79Å; E8-R116 IonicContact OE2-NE 2.85Å; E8-R116 PolarHBondContact OE2-NE 2.58Å; E8-R116 IonicContact OE2-NH2 3.82Å; E8-R116 PolarHBondContact OE2-NH2 3.37Å; H96-R116 PolarHBondContact CD2-NH1 3.2Å; H96-R116 PolarHBondContact NE2-NH1 3.37Å; L112-R116 WeakPolarHBondContact O-CB 3.39Å; L112-R116 PolarHBondContact O-N 2.94Å; R113-R116 PolarHBondContact O-N 3.07Å; L114-R116 VanDerWaalsContact C-N 3.33Å; L114-R116 PolarHBondContact O-N 2.69Å; R116-L118 VanDerWaalsContact C-N 3.28Å; R116-L118 PolarHBondContact O-N 3.27Å; R116-V119 PolarHBondContact O-N 3.4Å; R116-D120 PolarHBondContact O-N 2.64Å; R116-I140 HydrophobicContact CB-CD1 4.1Å; R116-T144 HydrophobicContact CG-CG2 4.45Å
117I94.9Very high92.7Very high11 Ų1153.4 Ų53.46%0.05625%0.253CS..Hα-helixtrans-61-40.6176.6-72.5170.1000110.5R113 L114 D120 Y121 P274 F275R113-I117 HydrophobicContact CG-CD1 4.07Å; R113-I117 WeakPolarHBondContact O-CG1 3.47Å; R113-I117 PolarHBondContact O-N 3.29Å; L114-I117 PolarHBondContact O-N 2.9Å; I117-D120 PolarHBondContact O-N 3.4Å; I117-Y121 WeakPolarHBondContact O-CB 3.24Å; I117-Y121 PolarHBondContact O-N 2.75Å; I117-P274 HydrophobicContact CG1-CB 4.35Å; I117-P274 HydrophobicContact CG2-CB 4.33Å; I117-F275 HydrophobicContact CG2-CB 3.63Å; I117-F275 HydrophobicContact CG2-CD2 4.26Å; I117-F275 HydrophobicContact CG2-CG 4.47Å
118L95.7Very high93Very high49 Ų4948.8 Ų48.826%0.25723%0.227SC..Hα-helixtrans-65.9-41.7175.3-71.8171.7000112L114 E115 R116 Y121 M122 F275L114-L118 HydrophobicContact CD1-CD1 4.31Å; L114-L118 HydrophobicContact CD1-CG 4.28Å; L114-L118 HydrophobicContact CG-CD1 4.08Å; L114-L118 HydrophobicContact CG-CG 4.47Å; L114-L118 WeakPolarHBondContact O-CG 3.3Å; L114-L118 PolarHBondContact O-N 3.49Å; E115-L118 PolarHBondContact O-N 2.9Å; R116-L118 VanDerWaalsContact C-N 3.28Å; R116-L118 PolarHBondContact O-N 3.27Å; L118-Y121 PolarHBondContact O-N 2.76Å; L118-M122 WeakPolarHBondContact O-CB 3.24Å; L118-M122 VanDerWaalsContact O-CG 3.25Å; L118-M122 WeakPolarHBondContact O-CG 3.47Å; L118-M122 PolarHBondContact O-N 2.85Å; L118-F275 HydrophobicContact CD2-CD2 3.74Å; L118-F275 HydrophobicContact CD2-CE2 3.6Å; L118-F275 HydrophobicContact CD2-CZ 4.47Å
119V96.4Very high93.2Very high1 Ų152.1 Ų52.11%0.00624%0.242CC..Hα-helixtrans-59.3-47.9174166.90000110.6E115 R116 Y121 M122 L123 A131 V134 A135 I140 T144 I146E115-V119 VanDerWaalsContact O-CG2 3.28Å; E115-V119 WeakPolarHBondContact O-CG2 3.31Å; E115-V119 PolarHBondContact O-N 3.4Å; R116-V119 PolarHBondContact O-N 3.4Å; V119-Y121 VanDerWaalsContact C-N 3.33Å; V119-Y121 PolarHBondContact O-N 2.83Å; V119-M122 PolarHBondContact O-N 3.47Å; V119-L123 HydrophobicContact CG1-CD1 3.87Å; V119-L123 HydrophobicContact CG1-CG 4.42Å; V119-L123 WeakPolarHBondContact O-CB 3.46Å; V119-L123 WeakPolarHBondContact O-CG 3.36Å; V119-L123 PolarHBondContact O-N 3.49Å; V119-A131 HydrophobicContact CG1-CB 4.21Å; V119-V134 HydrophobicContact CG2-CB 4.05Å; V119-V134 HydrophobicContact CG2-CG1 3.77Å; V119-A135 HydrophobicContact CG1-CB 4.49Å; V119-A135 HydrophobicContact CG2-CB 4.15Å; V119-I140 HydrophobicContact CG2-CD1 4.27Å; V119-T144 HydrophobicContact CB-CG2 4.35Å; V119-T144 HydrophobicContact CG1-CG2 3.74Å; V119-I146 HydrophobicContact CG1-CD1 4.23Å; V119-I146 HydrophobicContact CG1-CG1 4.15Å
120D94.7Very high93.5Very high13 Ų1355.1 Ų55.17%0.0726%0.26CS..Hα-helixtrans-58.7-44.4176.4-176.6-100.6000111.6R116 I117 L123 R124 P274R116-D120 PolarHBondContact O-N 2.64Å; I117-D120 PolarHBondContact O-N 3.4Å; D120-L123 PolarHBondContact O-N 3.45Å; D120-R124 VanDerWaalsContact O-CG 3.29Å; D120-R124 WeakPolarHBondContact O-CG 3.19Å; D120-R124 PolarHBondContact O-N 3.28Å; D120-R124 IonicContact OD1-CZ 3.88Å; D120-R124 IonicContact OD1-NE 2.97Å; D120-R124 PolarHBondContact OD1-NE 3.07Å; D120-R124 IonicContact OD1-NH2 3.92Å; D120-R124 PolarHBondContact OD1-NH2 3.38Å; D120-R124 IonicContact OD2-NE 3.31Å; D120-R124 IonicContact OD2-NH2 3.53Å; D120-P274 WeakPolarHBondContact OD1-CD 3.42Å
121Y95.2Very high93.8Very high83 Ų8348.2 Ų48.233%0.32524%0.235SC..Hα-helixtrans-62.6-47.9176.8-177.4-111.7000112.6I117 L118 V119 L123 R124 C125 S273 F275I117-Y121 WeakPolarHBondContact O-CB 3.24Å; I117-Y121 PolarHBondContact O-N 2.75Å; L118-Y121 PolarHBondContact O-N 2.76Å; V119-Y121 VanDerWaalsContact C-N 3.33Å; V119-Y121 PolarHBondContact O-N 2.83Å; Y121-L123 VanDerWaalsContact C-N 3.3Å; Y121-L123 PolarHBondContact O-N 3.46Å; Y121-R124 PolarHBondContact O-N 3.5Å; Y121-R124 VanDerWaalsContact O-N 3.15Å; Y121-C125 VanDerWaalsContact CZ-SG 3.56Å; Y121-C125 PolarHBondContact O-N 2.92Å; Y121-C125 PolarHBondContact O-SG 3.39Å; Y121-C125 VanDerWaalsContact O-SG 3.37Å; Y121-S273 VanDerWaalsContact CD2-OG 3.31Å; Y121-S273 WeakPolarHBondContact CD2-OG 3.42Å; Y121-F275 AromaticContact CD1-CD1 3.8Å; Y121-F275 HydrophobicContact CD1-CD1 3.8Å; Y121-F275 HydrophobicContact CD1-CE1 4.16Å; Y121-F275 HydrophobicContact CD1-CG 4.23Å; Y121-F275 HydrophobicContact CD2-CB 3.99Å; Y121-F275 AromaticContact CD2-CD1 3.72Å; Y121-F275 HydrophobicContact CD2-CD1 3.72Å; Y121-F275 HydrophobicContact CD2-CG 4.18Å; Y121-F275 AromaticContact CE1-CD1 3.93Å; Y121-F275 HydrophobicContact CE1-CD1 3.93Å; Y121-F275 AromaticContact CE1-CE1 3.98Å; Y121-F275 HydrophobicContact CE1-CE1 3.98Å; Y121-F275 AromaticContact CE2-CD1 3.84Å; Y121-F275 HydrophobicContact CE2-CD1 3.84Å; Y121-F275 HydrophobicContact CE2-CE1 4.48Å; Y121-F275 HydrophobicContact CG-CB 3.88Å; Y121-F275 AromaticContact CG-CD1 3.68Å; Y121-F275 HydrophobicContact CG-CD1 3.68Å; Y121-F275 HydrophobicContact CG-CE1 4.49Å; Y121-F275 AromaticContact CG-CG 3.9Å; Y121-F275 HydrophobicContact CG-CG 3.9Å; Y121-F275 AromaticContact CZ-CD1 3.94Å
122M95.6Very high94.1Very high42 Ų4242.8 Ų42.821%0.20722%0.218CC..Hα-helixtrans-58.3-42.9177.3-74.5174.9-174.700111.6L118 V119 C125 G126 Y127 T130 A131 V134L118-M122 WeakPolarHBondContact O-CB 3.24Å; L118-M122 VanDerWaalsContact O-CG 3.25Å; L118-M122 WeakPolarHBondContact O-CG 3.47Å; L118-M122 PolarHBondContact O-N 2.85Å; V119-M122 PolarHBondContact O-N 3.47Å; M122-C125 CarbonylContact O-C 3.51Å; M122-C125 PolarHBondContact O-N 3.14Å; M122-G126 PolarHBondContact O-N 3.41Å; M122-G126 VanDerWaalsContact O-N 3.14Å; M122-Y127 WeakPolarHBondContact O-CA 3.34Å; M122-Y127 PolarHBondContact O-N 3.31Å; M122-T130 HydrophobicContact CE-CG2 4.12Å; M122-T130 HydrophobicContact SD-CG2 3.71Å; M122-A131 HydrophobicContact CB-CB 3.88Å; M122-V134 HydrophobicContact CE-CG2 4.47Å; M122-V134 HydrophobicContact SD-CG2 4.32Å
123L93.8Very high94.3Very high2 Ų247.2 Ų47.21%0.0124%0.235CC..Hα-helixtrans-62.9-41.3176.7-68.6167.3000112.1V119 D120 Y121 C125 G126 Y128 A131 I146 F149V119-L123 HydrophobicContact CG1-CD1 3.87Å; V119-L123 HydrophobicContact CG1-CG 4.42Å; V119-L123 WeakPolarHBondContact O-CB 3.46Å; V119-L123 WeakPolarHBondContact O-CG 3.36Å; V119-L123 PolarHBondContact O-N 3.49Å; D120-L123 PolarHBondContact O-N 3.45Å; Y121-L123 VanDerWaalsContact C-N 3.3Å; Y121-L123 PolarHBondContact O-N 3.46Å; L123-C125 VanDerWaalsContact C-N 3.31Å; L123-C125 PolarHBondContact O-N 3.26Å; L123-G126 PolarHBondContact O-N 2.92Å; L123-G126 VanDerWaalsContact O-N 3.16Å; L123-Y128 HydrophobicContact CD2-CD1 3.75Å; L123-Y128 HydrophobicContact CD2-CE1 4.42Å; L123-A131 HydrophobicContact CD2-CB 3.61Å; L123-A131 HydrophobicContact CG-CB 3.67Å; L123-I146 HydrophobicContact CD1-CG1 3.83Å; L123-I146 HydrophobicContact CD2-CG1 4.37Å; L123-F149 HydrophobicContact CB-CB 4.06Å; L123-F149 HydrophobicContact CB-CD1 3.66Å; L123-F149 HydrophobicContact CB-CD2 3.8Å; L123-F149 HydrophobicContact CB-CE1 3.92Å; L123-F149 HydrophobicContact CB-CE2 4.05Å; L123-F149 HydrophobicContact CB-CG 3.59Å; L123-F149 HydrophobicContact CB-CZ 4.1Å; L123-F149 HydrophobicContact CD1-CB 4.18Å; L123-F149 HydrophobicContact CD1-CD2 3.6Å; L123-F149 HydrophobicContact CD1-CE2 4.13Å; L123-F149 HydrophobicContact CD1-CG 4.01Å; L123-F149 HydrophobicContact CD2-CB 3.87Å; L123-F149 HydrophobicContact CD2-CG 4.33Å; L123-F149 HydrophobicContact CG-CB 4.25Å; L123-F149 HydrophobicContact CG-CD2 4.23Å; L123-F149 HydrophobicContact CG-CG 4.17Å
124R91.7Very high94.4Very high22 Ų2247.3 Ų47.38%0.08324%0.24CC..Hα-helixtrans-66.5-32.3176-68.4170-176.5-107.89.5113.1D120 Y121 G126 F149 Y264 S270D120-R124 VanDerWaalsContact O-CG 3.29Å; D120-R124 WeakPolarHBondContact O-CG 3.19Å; D120-R124 PolarHBondContact O-N 3.28Å; D120-R124 IonicContact OD1-CZ 3.88Å; D120-R124 IonicContact OD1-NE 2.97Å; D120-R124 PolarHBondContact OD1-NE 3.07Å; D120-R124 IonicContact OD1-NH2 3.92Å; D120-R124 PolarHBondContact OD1-NH2 3.38Å; D120-R124 IonicContact OD2-NE 3.31Å; D120-R124 IonicContact OD2-NH2 3.53Å; Y121-R124 PolarHBondContact O-N 3.5Å; Y121-R124 VanDerWaalsContact O-N 3.15Å; R124-G126 VanDerWaalsContact C-N 3.27Å; R124-F149 HydrophobicContact CG-CE1 3.81Å; R124-F149 HydrophobicContact CG-CZ 3.69Å; R124-Y264 HydrophobicContact CG-CE1 4.44Å; R124-S270 PolarHBondContact NH1-O 3.43Å
125C90.1Very high94.6Very high52 Ų5242.8 Ų42.835%0.35122%0.216SC..THydrogen-bonded Turntrans-81.6-1.6174.7-65.20000113.6Y121 M122 L123 Y127Y121-C125 VanDerWaalsContact CZ-SG 3.56Å; Y121-C125 PolarHBondContact O-N 2.92Å; Y121-C125 PolarHBondContact O-SG 3.39Å; Y121-C125 VanDerWaalsContact O-SG 3.37Å; M122-C125 CarbonylContact O-C 3.51Å; M122-C125 PolarHBondContact O-N 3.14Å; L123-C125 VanDerWaalsContact C-N 3.31Å; L123-C125 PolarHBondContact O-N 3.26Å; C125-Y127 HydrophobicContact CB-CD2 3.47Å; C125-Y127 VanDerWaalsContact CB-CD2 3.47Å; C125-Y127 HydrophobicContact CB-CE2 3.53Å
126G89.1Confident94.7Very high27 Ų2747.1 Ų47.128%0.27824%0.236SC..THydrogen-bonded Turntrans82.58.8-178.900000115.3M122 L123 R124 Y128M122-G126 PolarHBondContact O-N 3.41Å; M122-G126 VanDerWaalsContact O-N 3.14Å; L123-G126 PolarHBondContact O-N 2.92Å; L123-G126 VanDerWaalsContact O-N 3.16Å; R124-G126 VanDerWaalsContact C-N 3.27Å; G126-Y128 WeakPolarHBondContact O-CD2 3.39Å; G126-Y128 WeakPolarHBondContact O-CE2 3.43Å; G126-Y128 PolarHBondContact O-N 3.07Å
127Y92.3Very high94.8Very high143 Ų14357.3 Ų57.356%0.56127%0.274SS*.  trans-84.259.1176.3-57.9-63000112M122 C125 D129 T130 A131M122-Y127 WeakPolarHBondContact O-CA 3.34Å; M122-Y127 PolarHBondContact O-N 3.31Å; C125-Y127 HydrophobicContact CB-CD2 3.47Å; C125-Y127 VanDerWaalsContact CB-CD2 3.47Å; C125-Y127 HydrophobicContact CB-CE2 3.53Å; Y127-D129 PolarHBondContact O-N 2.74Å; Y127-T130 PolarHBondContact O-N 2.91Å; Y127-A131 WeakPolarHBondContact O-CB 3.31Å; Y127-A131 PolarHBondContact O-N 3.16Å
128Y92.3Very high94.8Very high19 Ų1957.9 Ų57.98%0.07528%0.279CS..Hα-helixtrans-61.2-46.1-172.6-57.9-82.9000113.5L123 G126 T130 A131 V132 F149 K153 E156L123-Y128 HydrophobicContact CD2-CD1 3.75Å; L123-Y128 HydrophobicContact CD2-CE1 4.42Å; G126-Y128 WeakPolarHBondContact O-CD2 3.39Å; G126-Y128 WeakPolarHBondContact O-CE2 3.43Å; G126-Y128 PolarHBondContact O-N 3.07Å; Y128-T130 VanDerWaalsContact C-N 3.33Å; Y128-T130 PolarHBondContact O-N 3.33Å; Y128-A131 WeakPolarHBondContact O-CB 3.13Å; Y128-A131 PolarHBondContact O-N 2.86Å; Y128-V132 WeakPolarHBondContact O-CG2 3.36Å; Y128-V132 PolarHBondContact O-N 3.44Å; Y128-F149 HydrophobicContact CD1-CB 4.47Å; Y128-F149 HydrophobicContact CE1-CB 4.09Å; Y128-F149 WeakPolarHBondContact CE1-O 2.89Å; Y128-K153 HydrophobicContact CD1-CB 4.18Å; Y128-K153 HydrophobicContact CD1-CD 4.1Å; Y128-K153 HydrophobicContact CD1-CG 4.43Å; Y128-K153 HydrophobicContact CD2-CB 4.33Å; Y128-K153 HydrophobicContact CD2-CD 3.56Å; Y128-K153 HydrophobicContact CD2-CG 3.8Å; Y128-K153 HydrophobicContact CE1-CB 3.73Å; Y128-K153 HydrophobicContact CE1-CD 4.44Å; Y128-K153 HydrophobicContact CE1-CG 4.26Å; Y128-K153 HydrophobicContact CE2-CB 3.9Å; Y128-K153 HydrophobicContact CE2-CD 3.94Å; Y128-K153 HydrophobicContact CE2-CG 3.61Å; Y128-K153 HydrophobicContact CG-CB 4.47Å; Y128-K153 HydrophobicContact CG-CD 3.66Å; Y128-K153 HydrophobicContact CG-CG 4.22Å; Y128-E156 PolarHBondContact OH-OE2 2.72Å; Y128-E156 VanDerWaalsContact OH-OE2 3.13Å
129D94.1Very high94.7Very high104 Ų10457.6 Ų57.656%0.55629%0.289SS*.Hα-helixtrans-67.5-37.9-175.2-56.2-27000111.3Y127 K133 K153Y127-D129 PolarHBondContact O-N 2.74Å; D129-K133 VanDerWaalsContact O-CG 3.31Å; D129-K133 WeakPolarHBondContact O-CG 3.46Å; D129-K133 PolarHBondContact O-N 2.94Å; D129-K133 VanDerWaalsContact O-N 3.08Å; D129-K153 IonicContact OD1-NZ 3.45Å
130T96.7Very high94.6Very high69 Ų6957.7 Ų57.742%0.42329%0.289SS..Hα-helixtrans-66.2-44.4174.4-510000110.7M122 Y127 Y128 V132 K133 V134M122-T130 HydrophobicContact CE-CG2 4.12Å; M122-T130 HydrophobicContact SD-CG2 3.71Å; Y127-T130 PolarHBondContact O-N 2.91Å; Y128-T130 VanDerWaalsContact C-N 3.33Å; Y128-T130 PolarHBondContact O-N 3.33Å; T130-V132 VanDerWaalsContact C-N 3.35Å; T130-V132 PolarHBondContact O-N 3Å; T130-K133 PolarHBondContact O-N 3.22Å; T130-V134 HydrophobicContact CG2-CG2 4.48Å; T130-V134 VanDerWaalsContact O-CG2 3.32Å; T130-V134 WeakPolarHBondContact O-CG2 3.45Å; T130-V134 PolarHBondContact O-N 2.98Å
131A96.9Very high94.6Very high0 Ų059.1 Ų59.10%030%0.303CS..Hα-helixtrans-58.7-44.417700000112.3V119 M122 L123 Y127 Y128 A135V119-A131 HydrophobicContact CG1-CB 4.21Å; M122-A131 HydrophobicContact CB-CB 3.88Å; L123-A131 HydrophobicContact CD2-CB 3.61Å; L123-A131 HydrophobicContact CG-CB 3.67Å; Y127-A131 WeakPolarHBondContact O-CB 3.31Å; Y127-A131 PolarHBondContact O-N 3.16Å; Y128-A131 WeakPolarHBondContact O-CB 3.13Å; Y128-A131 PolarHBondContact O-N 2.86Å; A131-A135 WeakPolarHBondContact O-CB 3.49Å; A131-A135 PolarHBondContact O-N 3.28Å
132V96.8Very high94.5Very high39 Ų3960.4 Ų60.424%0.23631%0.312CS..Hα-helixtrans-62.2-49.5176.7172.30000110.9Y128 T130 V134 A135 E136 I146Y128-V132 WeakPolarHBondContact O-CG2 3.36Å; Y128-V132 PolarHBondContact O-N 3.44Å; T130-V132 VanDerWaalsContact C-N 3.35Å; T130-V132 PolarHBondContact O-N 3Å; V132-V134 VanDerWaalsContact C-N 3.34Å; V132-V134 PolarHBondContact O-N 2.83Å; V132-A135 PolarHBondContact O-N 3.48Å; V132-A135 VanDerWaalsContact O-N 3.12Å; V132-E136 HydrophobicContact CG1-CG 4.36Å; V132-E136 WeakPolarHBondContact CG1-OE1 3.36Å; V132-E136 WeakPolarHBondContact O-CG 3.46Å; V132-E136 PolarHBondContact O-N 3.39Å; V132-I146 HydrophobicContact CG2-CD1 4.36Å; V132-I146 HydrophobicContact CG2-CG2 3.93Å
133K97Very high94.5Very high143 Ų14358.6 Ų58.662%0.62230%0.303SS*.Hα-helixtrans-59.8-41.5179.4-73.6173.6-177.5176.70112.8D129 T130 R137D129-K133 VanDerWaalsContact O-CG 3.31Å; D129-K133 WeakPolarHBondContact O-CG 3.46Å; D129-K133 PolarHBondContact O-N 2.94Å; D129-K133 VanDerWaalsContact O-N 3.08Å; T130-K133 PolarHBondContact O-N 3.22Å; K133-R137 VanDerWaalsContact O-CB 3.3Å; K133-R137 WeakPolarHBondContact O-CB 3.22Å; K133-R137 PolarHBondContact O-N 3.39Å
134V96.4Very high94.5Very high35 Ų3559 Ų5921%0.21231%0.306CS..Hα-helixtrans-64.4-45.2175.7172.80000110V119 M122 T130 V132 E136 R137 S138V119-V134 HydrophobicContact CG2-CB 4.05Å; V119-V134 HydrophobicContact CG2-CG1 3.77Å; M122-V134 HydrophobicContact CE-CG2 4.47Å; M122-V134 HydrophobicContact SD-CG2 4.32Å; T130-V134 HydrophobicContact CG2-CG2 4.48Å; T130-V134 VanDerWaalsContact O-CG2 3.32Å; T130-V134 WeakPolarHBondContact O-CG2 3.45Å; T130-V134 PolarHBondContact O-N 2.98Å; V132-V134 VanDerWaalsContact C-N 3.34Å; V132-V134 PolarHBondContact O-N 2.83Å; V134-E136 VanDerWaalsContact C-N 3.34Å; V134-E136 PolarHBondContact O-N 2.87Å; V134-R137 PolarHBondContact O-N 2.89Å; V134-S138 VanDerWaalsContact O-CB 3.29Å; V134-S138 WeakPolarHBondContact O-CB 3.45Å; V134-S138 PolarHBondContact O-N 3.18Å; V134-S138 PolarHBondContact O-OG 3.38Å
135A97.2Very high94.5Very high0 Ų058.5 Ų58.50%030%0.304CS..Hα-helixtrans-64.7-36.5-179.100000113.5V119 A131 V132 G139 I140 A141 T144 I146V119-A135 HydrophobicContact CG1-CB 4.49Å; V119-A135 HydrophobicContact CG2-CB 4.15Å; A131-A135 WeakPolarHBondContact O-CB 3.49Å; A131-A135 PolarHBondContact O-N 3.28Å; V132-A135 PolarHBondContact O-N 3.48Å; V132-A135 VanDerWaalsContact O-N 3.12Å; A135-G139 PolarHBondContact O-N 3.2Å; A135-G139 VanDerWaalsContact O-N 3.12Å; A135-I140 HydrophobicContact CB-CG1 4.09Å; A135-I140 PolarHBondContact O-N 2.77Å; A135-A141 HydrophobicContact CB-CB 4.27Å; A135-A141 PolarHBondContact O-N 2.53Å; A135-T144 HydrophobicContact CB-CG2 4.24Å; A135-I146 HydrophobicContact CB-CD1 3.46Å; A135-I146 VanDerWaalsContact CB-CD1 3.46Å
136E96.8Very high94.7Very high130 Ų13056.9 Ų56.961%0.60729%0.292SS*.Hα-helixtrans-68.8-50.4174.6-72.7174.3172.900111.7V132 V134 S138 G139V132-E136 HydrophobicContact CG1-CG 4.36Å; V132-E136 WeakPolarHBondContact CG1-OE1 3.36Å; V132-E136 WeakPolarHBondContact O-CG 3.46Å; V132-E136 PolarHBondContact O-N 3.39Å; V134-E136 VanDerWaalsContact C-N 3.34Å; V134-E136 PolarHBondContact O-N 2.87Å; E136-S138 PolarHBondContact O-N 3.07Å; E136-G139 PolarHBondContact O-N 2.61Å
137R96.5Very high94.7Very high219 Ų21959 Ų5983%0.82631%0.307SS*.Hα-helixtrans-54.8-40.3177.8177.2-171.8169.1-160.6-4111.8K133 V134K133-R137 VanDerWaalsContact O-CB 3.3Å; K133-R137 WeakPolarHBondContact O-CB 3.22Å; K133-R137 PolarHBondContact O-N 3.39Å; V134-R137 PolarHBondContact O-N 2.89Å
138S94.6Very high94.5Very high23 Ų2352.7 Ų52.716%0.16128%0.283CS..THydrogen-bonded Turntrans-88-5.8-177-65.70000114E115 V134 E136 I140E115-S138 PolarHBondContact OE1-OG 3.47Å; E115-S138 WeakPolarHBondContact OE2-CB 3.38Å; E115-S138 PolarHBondContact OE2-OG 2.97Å; V134-S138 VanDerWaalsContact O-CB 3.29Å; V134-S138 WeakPolarHBondContact O-CB 3.45Å; V134-S138 PolarHBondContact O-N 3.18Å; V134-S138 PolarHBondContact O-OG 3.38Å; E136-S138 PolarHBondContact O-N 3.07Å; S138-I140 VanDerWaalsContact C-N 3.27Å; S138-I140 PolarHBondContact O-N 3.09Å
139G94.7Very high94.5Very high44 Ų4452 Ų5245%0.45428%0.28SS..THydrogen-bonded Turntrans63.730.6-176.900000113.6A135 E136 Q142A135-G139 PolarHBondContact O-N 3.2Å; A135-G139 VanDerWaalsContact O-N 3.12Å; E136-G139 PolarHBondContact O-N 2.61Å; G139-Q142 PolarHBondContact O-NE2 3.44Å; G139-Q142 PolarHBondContact O-OE1 2.88Å
140I95.1Very high94.4Very high3 Ų351.1 Ų51.12%0.01527%0.274CS..  trans-111.32.4-177.563.8174000113.8L112 E115 R116 V119 A135 S138 Q142 V143 T144L112-I140 HydrophobicContact CB-CG2 4.31Å; L112-I140 HydrophobicContact CD2-CG2 3.77Å; L112-I140 HydrophobicContact CG-CG2 4.47Å; E115-I140 HydrophobicContact CB-CD1 3.85Å; R116-I140 HydrophobicContact CB-CD1 4.1Å; V119-I140 HydrophobicContact CG2-CD1 4.27Å; A135-I140 HydrophobicContact CB-CG1 4.09Å; A135-I140 PolarHBondContact O-N 2.77Å; S138-I140 VanDerWaalsContact C-N 3.27Å; S138-I140 PolarHBondContact O-N 3.09Å; I140-Q142 VanDerWaalsContact C-N 3.26Å; I140-Q142 PolarHBondContact O-N 3.26Å; I140-Q142 VanDerWaalsContact O-N 3.15Å; I140-V143 HydrophobicContact CB-CG2 3.7Å; I140-V143 HydrophobicContact CG2-CG2 4.22Å; I140-V143 WeakPolarHBondContact O-CG2 3.46Å; I140-V143 PolarHBondContact O-N 3.06Å; I140-T144 HydrophobicContact CD1-CG2 4.31Å; I140-T144 HydrophobicContact CG1-CG2 4.12Å; I140-T144 VanDerWaalsContact O-CG2 3.23Å; I140-T144 WeakPolarHBondContact O-CG2 3.49Å; I140-T144 PolarHBondContact O-N 3.34Å
141A94.4Very high94Very high43 Ų4354.2 Ų54.236%0.35528%0.278SS..G310 helixtrans-47.9-46.3-178.600000113.1A135 V143 T144A135-A141 HydrophobicContact CB-CB 4.27Å; A135-A141 PolarHBondContact O-N 2.53Å; A141-V143 PolarHBondContact O-N 2.85Å; A141-T144 PolarHBondContact O-N 2.92Å; A141-T144 PolarHBondContact O-OG1 3.46Å
142Q93.1Very high93.8Very high110 Ų11054.4 Ų54.451%0.51428%0.28SS..G310 helixtrans-65.2-20.5179.270.5-72.4-2.200114.7T92 G139 I140T92-Q142 HydrophobicContact CG2-CG 4.03Å; G139-Q142 PolarHBondContact O-NE2 3.44Å; G139-Q142 PolarHBondContact O-OE1 2.88Å; I140-Q142 VanDerWaalsContact C-N 3.26Å; I140-Q142 PolarHBondContact O-N 3.26Å; I140-Q142 VanDerWaalsContact O-N 3.15Å
143V94.1Very high93.7Very high4 Ų454.7 Ų54.72%0.02428%0.278CS..G310 helixtrans-102.63.9177.7-590000113.7T11 T92 K93 H96 I140 A141T11-V143 WeakPolarHBondContact CG2-O 3.38Å; T92-V143 HydrophobicContact CG2-CG1 4.24Å; K93-V143 HydrophobicContact CG-CB 4.32Å; H96-V143 HydrophobicContact CB-CG1 3.71Å; I140-V143 HydrophobicContact CB-CG2 3.7Å; I140-V143 HydrophobicContact CG2-CG2 4.22Å; I140-V143 WeakPolarHBondContact O-CG2 3.46Å; I140-V143 PolarHBondContact O-N 3.06Å; A141-V143 PolarHBondContact O-N 2.85Å
144T94.4Very high93.6Very high11 Ų1153.1 Ų53.17%0.06727%0.271CS..SBendtrans-96.8174.6177.867.80000112K93 R116 V119 A135 I140 A141 I146K93-T144 VanDerWaalsContact CE-O 3.24Å; K93-T144 WeakPolarHBondContact CE-O 3.49Å; K93-T144 PolarHBondContact NZ-O 3.31Å; R116-T144 HydrophobicContact CG-CG2 4.45Å; V119-T144 HydrophobicContact CB-CG2 4.35Å; V119-T144 HydrophobicContact CG1-CG2 3.74Å; A135-T144 HydrophobicContact CB-CG2 4.24Å; I140-T144 HydrophobicContact CD1-CG2 4.31Å; I140-T144 HydrophobicContact CG1-CG2 4.12Å; I140-T144 VanDerWaalsContact O-CG2 3.23Å; I140-T144 WeakPolarHBondContact O-CG2 3.49Å; I140-T144 PolarHBondContact O-N 3.34Å; A141-T144 PolarHBondContact O-N 2.92Å; A141-T144 PolarHBondContact O-OG1 3.46Å; T144-I146 HydrophobicContact CG2-CD1 4.45Å; T144-I146 VanDerWaalsContact OG1-CD1 3.25Å; T144-I146 WeakPolarHBondContact OG1-CD1 3.42Å; T144-I146 VanDerWaalsContact OG1-CG1 3.23Å; T144-I146 WeakPolarHBondContact OG1-CG1 3.41Å
145N92.3Very high93.6Very high10 Ų1051.7 Ų51.75%0.05326%0.262CS..  trans-99.819173.9-71.5-21.7000112.8S10 T11 K93 A147 H148 F149S10-N145 PolarHBondContact O-ND2 3.29Å; T11-N145 PolarHBondContact O-OD1 3.43Å; K93-N145 PolarHBondContact NZ-OD1 2.77Å; N145-A147 VanDerWaalsContact C-N 3.28Å; N145-A147 PolarHBondContact O-N 3.4Å; N145-H148 WeakPolarHBondContact O-CB 3.49Å; N145-H148 PolarHBondContact O-N 3.23Å; N145-F149 HydrophobicContact CB-CD2 4.12Å; N145-F149 HydrophobicContact CB-CE2 4.15Å; N145-F149 WeakPolarHBondContact O-CD2 3.49Å; N145-F149 PolarHBondContact O-N 2.84Å
146I94Very high93.5Very high19 Ų1952.6 Ų52.610%0.09727%0.267CS..Hα-helixtrans-49.5-47.1-175.9-72.8168.1000112.3V119 L123 V132 A135 T144 H148 F149 I150V119-I146 HydrophobicContact CG1-CD1 4.23Å; V119-I146 HydrophobicContact CG1-CG1 4.15Å; L123-I146 HydrophobicContact CD1-CG1 3.83Å; L123-I146 HydrophobicContact CD2-CG1 4.37Å; V132-I146 HydrophobicContact CG2-CD1 4.36Å; V132-I146 HydrophobicContact CG2-CG2 3.93Å; A135-I146 HydrophobicContact CB-CD1 3.46Å; A135-I146 VanDerWaalsContact CB-CD1 3.46Å; T144-I146 HydrophobicContact CG2-CD1 4.45Å; T144-I146 VanDerWaalsContact OG1-CD1 3.25Å; T144-I146 WeakPolarHBondContact OG1-CD1 3.42Å; T144-I146 VanDerWaalsContact OG1-CG1 3.23Å; T144-I146 WeakPolarHBondContact OG1-CG1 3.41Å; I146-H148 PolarHBondContact O-N 3.33Å; I146-F149 PolarHBondContact O-N 3.3Å; I146-F149 VanDerWaalsContact O-N 3.08Å; I146-I150 HydrophobicContact CG2-CD1 3.56Å; I146-I150 HydrophobicContact CG2-CG1 4.09Å; I146-I150 WeakPolarHBondContact O-CG1 3.29Å; I146-I150 PolarHBondContact O-N 3.44Å
147A89.7Confident93.5Very high71 Ų7151.5 Ų51.559%0.58726%0.261SS*.Hα-helixtrans-58.5-33.9-178.700000113.4N145N145-A147 VanDerWaalsContact C-N 3.28Å; N145-A147 PolarHBondContact O-N 3.4Å
148H87.8Confident93.5Very high11 Ų1141.9 Ų41.95%0.05123%0.228CC..Hα-helixtrans-69.1-49175163.855.6000110.7N145 I146 I150 R151 A152 N263 Y267N145-H148 WeakPolarHBondContact O-CB 3.49Å; N145-H148 PolarHBondContact O-N 3.23Å; I146-H148 PolarHBondContact O-N 3.33Å; H148-I150 VanDerWaalsContact C-N 3.3Å; H148-I150 PolarHBondContact O-N 2.94Å; H148-R151 PolarHBondContact O-N 3.27Å; H148-R151 VanDerWaalsContact O-N 3.14Å; H148-A152 PolarHBondContact O-N 3.18Å; H148-N263 PolarHBondContact CE1-ND2 3.35Å; H148-N263 VanDerWaalsContact CE1-ND2 3.34Å; H148-N263 PolarHBondContact CE1-OD1 3.28Å; H148-N263 PolarHBondContact NE2-ND2 3.42Å; H148-N263 VanDerWaalsContact NE2-ND2 3.15Å; H148-Y267 AromaticContact CE1-CD2 3.09Å; H148-Y267 WeakPolarHBondContact CE1-CD2 3.34Å; H148-Y267 AromaticContact CE1-CE2 2.97Å; H148-Y267 WeakPolarHBondContact CE1-CE2 3.2Å; H148-Y267 AromaticContact CE1-CG 3.71Å; H148-Y267 AromaticContact CE1-CZ 3.47Å; H148-Y267 VanDerWaalsContact CE1-CZ 3.47Å; H148-Y267 AromaticContact ND1-CD2 3.72Å; H148-Y267 AromaticContact ND1-CE1 3.67Å; H148-Y267 AromaticContact ND1-CE2 3.33Å; H148-Y267 VanDerWaalsContact ND1-CE2 3.33Å; H148-Y267 WeakPolarHBondContact ND1-CE2 3.23Å; H148-Y267 AromaticContact ND1-CZ 3.26Å; H148-Y267 VanDerWaalsContact ND1-CZ 3.26Å; H148-Y267 AromaticContact NE2-CD2 3.67Å; H148-Y267 AromaticContact NE2-CE2 3.99Å
149F91.8Very high93.6Very high3 Ų340.8 Ų40.81%0.01322%0.22CC..Hα-helixtrans-64.9-30.3-179.1-81.9-83.9000113.3L123 R124 Y128 N145 I146 R151 A152 K153 Y264 M269L123-F149 HydrophobicContact CB-CB 4.06Å; L123-F149 HydrophobicContact CB-CD1 3.66Å; L123-F149 HydrophobicContact CB-CD2 3.8Å; L123-F149 HydrophobicContact CB-CE1 3.92Å; L123-F149 HydrophobicContact CB-CE2 4.05Å; L123-F149 HydrophobicContact CB-CG 3.59Å; L123-F149 HydrophobicContact CB-CZ 4.1Å; L123-F149 HydrophobicContact CD1-CB 4.18Å; L123-F149 HydrophobicContact CD1-CD2 3.6Å; L123-F149 HydrophobicContact CD1-CE2 4.13Å; L123-F149 HydrophobicContact CD1-CG 4.01Å; L123-F149 HydrophobicContact CD2-CB 3.87Å; L123-F149 HydrophobicContact CD2-CG 4.33Å; L123-F149 HydrophobicContact CG-CB 4.25Å; L123-F149 HydrophobicContact CG-CD2 4.23Å; L123-F149 HydrophobicContact CG-CG 4.17Å; R124-F149 HydrophobicContact CG-CE1 3.81Å; R124-F149 HydrophobicContact CG-CZ 3.69Å; Y128-F149 HydrophobicContact CD1-CB 4.47Å; Y128-F149 HydrophobicContact CE1-CB 4.09Å; Y128-F149 WeakPolarHBondContact CE1-O 2.89Å; N145-F149 HydrophobicContact CB-CD2 4.12Å; N145-F149 HydrophobicContact CB-CE2 4.15Å; N145-F149 WeakPolarHBondContact O-CD2 3.49Å; N145-F149 PolarHBondContact O-N 2.84Å; I146-F149 PolarHBondContact O-N 3.3Å; I146-F149 VanDerWaalsContact O-N 3.08Å; F149-R151 VanDerWaalsContact C-N 3.32Å; F149-R151 PolarHBondContact O-N 2.85Å; F149-A152 PolarHBondContact O-N 3.11Å; F149-K153 WeakPolarHBondContact O-CB 3.47Å; F149-K153 PolarHBondContact O-N 3.36Å; F149-Y264 HydrophobicContact CE1-CE1 4.04Å; F149-Y264 HydrophobicContact CZ-CE1 4.41Å; F149-M269 HydrophobicContact CE2-CE 3.91Å; F149-M269 HydrophobicContact CZ-CE 3.68Å
150I91.3Very high93.7Very high86 Ų8641.6 Ų41.644%0.44122%0.223SC..Hα-helixtrans-63.7-36.9174-70.1170.3000111.7I146 H148 K153 K154I146-I150 HydrophobicContact CG2-CD1 3.56Å; I146-I150 HydrophobicContact CG2-CG1 4.09Å; I146-I150 WeakPolarHBondContact O-CG1 3.29Å; I146-I150 PolarHBondContact O-N 3.44Å; H148-I150 VanDerWaalsContact C-N 3.3Å; H148-I150 PolarHBondContact O-N 2.94Å; I150-K153 WeakPolarHBondContact O-CB 3.46Å; I150-K153 PolarHBondContact O-N 2.68Å; I150-K154 PolarHBondContact O-N 2.75Å
151R89.9Confident93.8Very high135 Ų13544.1 Ų44.151%0.50924%0.244SC..Hα-helixtrans-67.6-39.8175-62.7-177.3-167.6161.42.9111.2E18 H148 F149 K154E18-R151 IonicContact OE1-NH1 3.35Å; E18-R151 PolarHBondContact OE1-NH1 3.19Å; E18-R151 VanDerWaalsContact OE1-NH1 3.16Å; E18-R151 IonicContact OE2-CZ 2.92Å; E18-R151 IonicContact OE2-NH1 2.76Å; E18-R151 PolarHBondContact OE2-NH1 3.06Å; E18-R151 IonicContact OE2-NH2 2.61Å; H148-R151 PolarHBondContact O-N 3.27Å; H148-R151 VanDerWaalsContact O-N 3.14Å; F149-R151 VanDerWaalsContact C-N 3.32Å; F149-R151 PolarHBondContact O-N 2.85Å; R151-K154 PolarHBondContact O-N 3.32Å
152A92.9Very high94Very high3 Ų346.8 Ų46.83%0.02525%0.249CC..Hα-helixtrans-64.3-41.617500000111.6H148 F149 K154 V155 E156 F259H148-A152 PolarHBondContact O-N 3.18Å; F149-A152 PolarHBondContact O-N 3.11Å; A152-K154 VanDerWaalsContact C-N 3.31Å; A152-K154 PolarHBondContact O-N 3.38Å; A152-V155 WeakPolarHBondContact O-CB 3.47Å; A152-V155 PolarHBondContact O-N 3.18Å; A152-E156 PolarHBondContact O-N 2.59Å; A152-F259 HydrophobicContact CB-CE1 4.03Å; A152-F259 HydrophobicContact CB-CZ 4.15Å
153K94.2Very high94.1Very high45 Ų4546.7 Ų46.720%0.19625%0.248CC..Hα-helixtrans-51-48.3175-178-177.1176.2173.70112Y128 D129 F149 I150 V155 E156 E157Y128-K153 HydrophobicContact CD1-CB 4.18Å; Y128-K153 HydrophobicContact CD1-CD 4.1Å; Y128-K153 HydrophobicContact CD1-CG 4.43Å; Y128-K153 HydrophobicContact CD2-CB 4.33Å; Y128-K153 HydrophobicContact CD2-CD 3.56Å; Y128-K153 HydrophobicContact CD2-CG 3.8Å; Y128-K153 HydrophobicContact CE1-CB 3.73Å; Y128-K153 HydrophobicContact CE1-CD 4.44Å; Y128-K153 HydrophobicContact CE1-CG 4.26Å; Y128-K153 HydrophobicContact CE2-CB 3.9Å; Y128-K153 HydrophobicContact CE2-CD 3.94Å; Y128-K153 HydrophobicContact CE2-CG 3.61Å; Y128-K153 HydrophobicContact CG-CB 4.47Å; Y128-K153 HydrophobicContact CG-CD 3.66Å; Y128-K153 HydrophobicContact CG-CG 4.22Å; D129-K153 IonicContact OD1-NZ 3.45Å; F149-K153 WeakPolarHBondContact O-CB 3.47Å; F149-K153 PolarHBondContact O-N 3.36Å; I150-K153 WeakPolarHBondContact O-CB 3.46Å; I150-K153 PolarHBondContact O-N 2.68Å; K153-V155 VanDerWaalsContact C-N 3.25Å; K153-V155 PolarHBondContact O-N 3.37Å; K153-E156 PolarHBondContact O-N 3.16Å; K153-E156 VanDerWaalsContact O-N 3.14Å; K153-E157 WeakPolarHBondContact CE-OE1 3.43Å; K153-E157 HydrophobicContact CG-CG 4.2Å; K153-E157 IonicContact NZ-OE1 3.48Å; K153-E157 WeakPolarHBondContact O-CB 3.48Å; K153-E157 WeakPolarHBondContact O-CG 3.48Å; K153-E157 PolarHBondContact O-N 2.85Å
154K95Very high94.3Very high110 Ų11046.8 Ų46.848%0.47825%0.249SC..Hα-helixtrans-56.7-40.6179.3-169-171.3-177.4-148.40112.1I150 R151 A152 S158 E166I150-K154 PolarHBondContact O-N 2.75Å; R151-K154 PolarHBondContact O-N 3.32Å; A152-K154 VanDerWaalsContact C-N 3.31Å; A152-K154 PolarHBondContact O-N 3.38Å; K154-S158 WeakPolarHBondContact O-CB 3.33Å; K154-S158 PolarHBondContact O-N 3.38Å; K154-S158 VanDerWaalsContact O-N 3.09Å; K154-E166 WeakPolarHBondContact CE-OE1 3.42Å; K154-E166 WeakPolarHBondContact CE-OE2 3.33Å; K154-E166 IonicContact NZ-OE1 2.78Å; K154-E166 PolarHBondContact NZ-OE1 2.96Å; K154-E166 IonicContact NZ-OE2 3.51Å; K154-E166 PolarHBondContact NZ-OE2 3.14Å
155V96.3Very high94.5Very high6 Ų651.8 Ų51.84%0.03628%0.275CS..Hα-helixtrans-70.5-43.8177.5179.60000111A152 K153 S158 L159 E166 C167 W170 F259A152-V155 WeakPolarHBondContact O-CB 3.47Å; A152-V155 PolarHBondContact O-N 3.18Å; K153-V155 VanDerWaalsContact C-N 3.25Å; K153-V155 PolarHBondContact O-N 3.37Å; V155-S158 PolarHBondContact O-N 2.86Å; V155-L159 HydrophobicContact CG1-CD1 4.28Å; V155-L159 WeakPolarHBondContact O-CG 3.24Å; V155-L159 PolarHBondContact O-N 3.36Å; V155-E166 HydrophobicContact CG2-CB 4.48Å; V155-C167 HydrophobicContact CG1-CB 3.72Å; V155-W170 HydrophobicContact CG2-CB 4.13Å; V155-W170 HydrophobicContact CG2-CG 4.46Å; V155-F259 HydrophobicContact CB-CE1 3.89Å; V155-F259 HydrophobicContact CB-CE2 3.97Å; V155-F259 HydrophobicContact CB-CZ 3.55Å; V155-F259 HydrophobicContact CG1-CD1 4.22Å; V155-F259 HydrophobicContact CG1-CD2 3.81Å; V155-F259 HydrophobicContact CG1-CE1 3.96Å; V155-F259 HydrophobicContact CG1-CE2 3.53Å; V155-F259 HydrophobicContact CG1-CG 4.15Å; V155-F259 HydrophobicContact CG1-CZ 3.61Å; V155-F259 HydrophobicContact CG2-CE2 4.31Å; V155-F259 HydrophobicContact CG2-CZ 4.02Å
156E95Very high94.7Very high19 Ų1953.9 Ų53.99%0.08928%0.284CS..Hα-helixtrans-61.1-45.2177.2-68-174.9-173.500112.1Y128 A152 K153 S158 L159 A160 I256 F259 R260Y128-E156 PolarHBondContact OH-OE2 2.72Å; Y128-E156 VanDerWaalsContact OH-OE2 3.13Å; A152-E156 PolarHBondContact O-N 2.59Å; K153-E156 PolarHBondContact O-N 3.16Å; K153-E156 VanDerWaalsContact O-N 3.14Å; E156-S158 VanDerWaalsContact C-N 3.34Å; E156-S158 PolarHBondContact O-N 2.79Å; E156-L159 PolarHBondContact O-N 3.49Å; E156-A160 WeakPolarHBondContact O-CB 3.07Å; E156-A160 PolarHBondContact O-N 2.98Å; E156-I256 HydrophobicContact CG-CG2 4.3Å; E156-F259 HydrophobicContact CG-CD1 3.74Å; E156-F259 HydrophobicContact CG-CE1 3.77Å; E156-R260 VanDerWaalsContact CD-NE 3.32Å; E156-R260 WeakPolarHBondContact OE1-CG 3.25Å; E156-R260 IonicContact OE1-CZ 3.55Å; E156-R260 IonicContact OE1-NE 3.89Å; E156-R260 PolarHBondContact OE1-NE 2.96Å; E156-R260 IonicContact OE1-NH2 2.73Å; E156-R260 IonicContact OE2-CZ 3.66Å; E156-R260 IonicContact OE2-NE 3.54Å; E156-R260 PolarHBondContact OE2-NE 2.98Å; E156-R260 IonicContact OE2-NH2 2.73Å; E156-R260 PolarHBondContact OE2-NH2 3.12Å
157E95.6Very high94.9Very high106 Ų10653 Ų5350%0.49528%0.28SS..Hα-helixtrans-64.3-39177.2-72.3177.615600111.7K153 A160 A161K153-E157 WeakPolarHBondContact CE-OE1 3.43Å; K153-E157 HydrophobicContact CG-CG 4.2Å; K153-E157 IonicContact NZ-OE1 3.48Å; K153-E157 WeakPolarHBondContact O-CB 3.48Å; K153-E157 WeakPolarHBondContact O-CG 3.48Å; K153-E157 PolarHBondContact O-N 2.85Å; E157-A160 PolarHBondContact O-N 3.46Å; E157-A161 WeakPolarHBondContact O-CB 3.36Å; E157-A161 PolarHBondContact O-N 3.37Å
158S97.5Very high95.3Very high18 Ų1850.2 Ų50.213%0.12626%0.255CS..Hα-helixtrans-61.9-47.3175.2-171.70000111.3K154 V155 E156 A161 H162 H163K154-S158 WeakPolarHBondContact O-CB 3.33Å; K154-S158 PolarHBondContact O-N 3.38Å; K154-S158 VanDerWaalsContact O-N 3.09Å; V155-S158 PolarHBondContact O-N 2.86Å; E156-S158 VanDerWaalsContact C-N 3.34Å; E156-S158 PolarHBondContact O-N 2.79Å; S158-A161 CarbonylContact O-C 3.54Å; S158-A161 PolarHBondContact O-N 3.27Å; S158-H162 PolarHBondContact O-N 2.82Å; S158-H163 CarbonylContact C-O 3.56Å; S158-H163 WeakPolarHBondContact O-CA 3.47Å; S158-H163 WeakPolarHBondContact O-CB 3.44Å; S158-H163 PolarHBondContact O-N 3.5Å; S158-H163 WeakPolarHBondContact OG-CB 3.36Å; S158-H163 PolarHBondContact OG-O 3.49Å
159L97.7Very high95.7Very high0 Ų054.7 Ų54.70%028%0.276CS..Hα-helixtrans-64.8-40.2176.6-70.6174.7000112.1V155 E156 A161 H162 H163 C167 W252 I256 F259V155-L159 HydrophobicContact CG1-CD1 4.28Å; V155-L159 WeakPolarHBondContact O-CG 3.24Å; V155-L159 PolarHBondContact O-N 3.36Å; E156-L159 PolarHBondContact O-N 3.49Å; L159-A161 PolarHBondContact O-N 2.89Å; L159-H162 WeakPolarHBondContact O-CA 3.5Å; L159-H162 PolarHBondContact O-N 3.24Å; L159-H163 WeakPolarHBondContact CA-O 2.94Å; L159-H163 PolarHBondContact N-O 3.49Å; L159-C167 HydrophobicContact CD1-CB 4.35Å; L159-C167 HydrophobicContact CD2-CB 3.87Å; L159-C167 HydrophobicContact CG-CB 4.15Å; L159-W252 HydrophobicContact CD2-CE3 4.4Å; L159-W252 HydrophobicContact CD2-CZ3 4.07Å; L159-I256 HydrophobicContact CB-CD1 4.28Å; L159-I256 HydrophobicContact CB-CG1 3.68Å; L159-I256 HydrophobicContact CD1-CG1 4.17Å; L159-F259 HydrophobicContact CD1-CB 4.19Å
160A96.1Very high96Very high61 Ų6155.6 Ų55.650%0.50428%0.279SS..Hα-helixtrans-64-31.2175.400000112.1E156 E157 H162 I256E156-A160 WeakPolarHBondContact O-CB 3.07Å; E156-A160 PolarHBondContact O-N 2.98Å; E157-A160 PolarHBondContact O-N 3.46Å; A160-H162 PolarHBondContact O-N 2.9Å; A160-I256 HydrophobicContact CB-CD1 4.02Å
161A97.3Very high96.3Very high55 Ų5551.5 Ų51.546%0.45526%0.258SS..THydrogen-bonded Turntrans-82.211.8171.500000113.5E157 S158 L159 H163E157-A161 WeakPolarHBondContact O-CB 3.36Å; E157-A161 PolarHBondContact O-N 3.37Å; S158-A161 CarbonylContact O-C 3.54Å; S158-A161 PolarHBondContact O-N 3.27Å; L159-A161 PolarHBondContact O-N 2.89Å; A161-H163 VanDerWaalsContact C-N 3.3Å; A161-H163 PolarHBondContact O-CE1 3.43Å; A161-H163 PolarHBondContact O-N 3.02Å; A161-H163 PolarHBondContact O-ND1 2.84Å; A161-H163 VanDerWaalsContact O-ND1 3.08Å
162H97.3Very high96.5Very high100 Ų10051.4 Ų51.446%0.46326%0.263SS..THydrogen-bonded Turntrans60.432.6-178.1-57.9165.8000114.7S158 L159 A160 W252S158-H162 PolarHBondContact O-N 2.82Å; L159-H162 WeakPolarHBondContact O-CA 3.5Å; L159-H162 PolarHBondContact O-N 3.24Å; A160-H162 PolarHBondContact O-N 2.9Å; H162-W252 VanDerWaalsContact CA-CH2 3.43Å; H162-W252 HydrophobicContact CB-CD2 4.29Å; H162-W252 HydrophobicContact CB-CH2 3.93Å; H162-W252 HydrophobicContact CB-CZ2 3.55Å; H162-W252 HydrophobicContact CB-CZ3 4.43Å; H162-W252 AromaticContact CD2-CD1 3.32Å; H162-W252 AromaticContact CD2-CD2 3.38Å; H162-W252 AromaticContact CD2-CE2 3.46Å; H162-W252 VanDerWaalsContact CD2-CE2 3.46Å; H162-W252 AromaticContact CD2-CG 3.3Å; H162-W252 AromaticContact CD2-NE1 3.42Å; H162-W252 PolarHBondContact CD2-NE1 2.8Å; H162-W252 AromaticContact CE1-CD1 3.98Å; H162-W252 AromaticContact CG-CE2 3.63Å; H162-W252 AromaticContact CG-CZ2 3.98Å; H162-W252 AromaticContact CG-NE1 3.66Å; H162-W252 AromaticContact NE2-CD1 3.29Å; H162-W252 VanDerWaalsContact NE2-CD1 3.29Å; H162-W252 AromaticContact NE2-CG 3.59Å; H162-W252 AromaticContact NE2-NE1 3.71Å; H162-W252 VanDerWaalsContact O-CH2 3.26Å; H162-W252 WeakPolarHBondContact O-CH2 3.5Å
163H97.1Very high96.5Very high107 Ų10756.5 Ų56.550%0.49529%0.287SS..  trans-115.5136.3174.4-56.9112.8000110.6S158 L159 A161S158-H163 CarbonylContact C-O 3.56Å; S158-H163 WeakPolarHBondContact O-CA 3.47Å; S158-H163 WeakPolarHBondContact O-CB 3.44Å; S158-H163 PolarHBondContact O-N 3.5Å; S158-H163 WeakPolarHBondContact OG-CB 3.36Å; S158-H163 PolarHBondContact OG-O 3.49Å; L159-H163 WeakPolarHBondContact CA-O 2.94Å; L159-H163 PolarHBondContact N-O 3.49Å; A161-H163 VanDerWaalsContact C-N 3.3Å; A161-H163 PolarHBondContact O-CE1 3.43Å; A161-H163 PolarHBondContact O-N 3.02Å; A161-H163 PolarHBondContact O-ND1 2.84Å; A161-H163 VanDerWaalsContact O-ND1 3.08Å
164T97.6Very high96.5Very high7 Ų755 Ų554%0.04328%0.281CS..  trans-104.7-10.4-17758.30000113.6E166 C167 L168 V189 D193 W252T164-E166 PolarHBondContact O-N 3.29Å; T164-C167 WeakPolarHBondContact O-CB 3.32Å; T164-C167 PolarHBondContact O-N 2.87Å; T164-L168 WeakPolarHBondContact O-CG 3.47Å; T164-L168 PolarHBondContact O-N 3.21Å; T164-V189 HydrophobicContact CG2-CG1 3.85Å; T164-D193 VanDerWaalsContact CB-OD1 3.24Å; T164-D193 WeakPolarHBondContact CB-OD1 3.43Å; T164-D193 WeakPolarHBondContact CG2-OD1 3.24Å; T164-D193 VanDerWaalsContact OG1-CG 3.29Å; T164-D193 PolarHBondContact OG1-OD1 3.42Å; T164-D193 PolarHBondContact OG1-OD2 3.04Å; T164-W252 HydrophobicContact CG2-CH2 3.85Å; T164-W252 HydrophobicContact CG2-CZ3 3.92Å
165N97.3Very high96.4Very high116 Ų11656.9 Ų56.962%0.6229%0.285SS*.Hα-helixtrans-54.6-51.2-171.5-66.9-37.5000112.8C167 L168 E169N165-C167 VanDerWaalsContact C-N 3.3Å; N165-C167 PolarHBondContact O-N 3.1Å; N165-L168 PolarHBondContact O-N 3.12Å; N165-E169 WeakPolarHBondContact O-CB 3.34Å; N165-E169 PolarHBondContact O-N 3.17Å
166E97.4Very high96.2Very high53 Ų5359.9 Ų59.925%0.24831%0.306CS..Hα-helixtrans-63.5-37.2179.3-63.8-69.1168.900111.8K154 V155 T164 E169 W170K154-E166 WeakPolarHBondContact CE-OE1 3.42Å; K154-E166 WeakPolarHBondContact CE-OE2 3.33Å; K154-E166 IonicContact NZ-OE1 2.78Å; K154-E166 PolarHBondContact NZ-OE1 2.96Å; K154-E166 IonicContact NZ-OE2 3.51Å; K154-E166 PolarHBondContact NZ-OE2 3.14Å; V155-E166 HydrophobicContact CG2-CB 4.48Å; T164-E166 PolarHBondContact O-N 3.29Å; E166-E169 PolarHBondContact O-N 3.07Å; E166-W170 WeakPolarHBondContact O-CB 3.18Å; E166-W170 PolarHBondContact O-N 3.19Å
167C98Very high96.1Very high0 Ų060.2 Ų60.20%031%0.307CS..Hα-helixtrans-68.4-39.8177.8-1680000112V155 L159 T164 N165 W170 C171 F185 V189V155-C167 HydrophobicContact CG1-CB 3.72Å; L159-C167 HydrophobicContact CD1-CB 4.35Å; L159-C167 HydrophobicContact CD2-CB 3.87Å; L159-C167 HydrophobicContact CG-CB 4.15Å; T164-C167 WeakPolarHBondContact O-CB 3.32Å; T164-C167 PolarHBondContact O-N 2.87Å; N165-C167 VanDerWaalsContact C-N 3.3Å; N165-C167 PolarHBondContact O-N 3.1Å; C167-W170 WeakPolarHBondContact O-CB 3.09Å; C167-W170 PolarHBondContact O-N 3.28Å; C167-C171 PolarHBondContact O-N 3.38Å; C167-C171 PolarHBondContact O-SG 3.37Å; C167-F185 WeakPolarHBondContact SG-CE1 3.49Å; C167-V189 HydrophobicContact CB-CG1 4.39Å
168L97.9Very high96.1Very high13 Ų1355.5 Ų55.57%0.06829%0.286CS..Hα-helixtrans-70.9-36.3176.6-70.6173.2000112.2T164 N165 C171 H172 E186 V189 R190 D193T164-L168 WeakPolarHBondContact O-CG 3.47Å; T164-L168 PolarHBondContact O-N 3.21Å; N165-L168 PolarHBondContact O-N 3.12Å; L168-C171 WeakPolarHBondContact O-CB 3.21Å; L168-C171 PolarHBondContact O-N 3.06Å; L168-H172 WeakPolarHBondContact O-CB 3.15Å; L168-H172 PolarHBondContact O-N 2.97Å; L168-E186 HydrophobicContact CD2-CG 4.4Å; L168-V189 HydrophobicContact CD1-CG1 4.49Å; L168-V189 HydrophobicContact CD2-CB 4.04Å; L168-V189 HydrophobicContact CD2-CG1 3.58Å; L168-V189 HydrophobicContact CG-CG1 3.76Å; L168-R190 HydrophobicContact CD2-CG 4.16Å; L168-D193 WeakPolarHBondContact CD1-OD2 3.32Å
169E97.6Very high95.9Very high106 Ų10662.7 Ų62.750%0.49531%0.31SS..Hα-helixtrans-62.8-45171.3-175.9160.4-154.800110.7N165 E166 C171 H172 E173N165-E169 WeakPolarHBondContact O-CB 3.34Å; N165-E169 PolarHBondContact O-N 3.17Å; E166-E169 PolarHBondContact O-N 3.07Å; E169-C171 VanDerWaalsContact C-N 3.32Å; E169-C171 PolarHBondContact O-N 3.38Å; E169-H172 WeakPolarHBondContact O-CB 3.31Å; E169-H172 PolarHBondContact O-N 2.67Å; E169-H172 VanDerWaalsContact O-N 3.1Å; E169-E173 WeakPolarHBondContact O-CG 2.97Å; E169-E173 PolarHBondContact O-N 3.03Å
170W96.4Very high95.7Very high21 Ų2171.2 Ų71.28%0.0834%0.342CS..Hα-helixtrans-57.8-42.3172178.795.8000112.4V155 E166 C167 H172 E173 N174 L178 F185 F259 E262 N263 L266V155-W170 HydrophobicContact CG2-CB 4.13Å; V155-W170 HydrophobicContact CG2-CG 4.46Å; E166-W170 WeakPolarHBondContact O-CB 3.18Å; E166-W170 PolarHBondContact O-N 3.19Å; C167-W170 WeakPolarHBondContact O-CB 3.09Å; C167-W170 PolarHBondContact O-N 3.28Å; W170-H172 VanDerWaalsContact C-N 3.34Å; W170-H172 PolarHBondContact O-N 3.05Å; W170-E173 PolarHBondContact O-N 3.38Å; W170-N174 PolarHBondContact NE1-ND2 2.73Å; W170-N174 WeakPolarHBondContact O-CB 3.33Å; W170-N174 PolarHBondContact O-N 3.37Å; W170-N174 VanDerWaalsContact O-N 3.13Å; W170-N174 PolarHBondContact O-ND2 2.73Å; W170-L178 HydrophobicContact CE3-CD1 4.38Å; W170-L178 HydrophobicContact CH2-CD1 4.36Å; W170-L178 HydrophobicContact CH2-CD2 3.88Å; W170-L178 HydrophobicContact CZ3-CD1 3.82Å; W170-L178 HydrophobicContact CZ3-CD2 4.06Å; W170-F185 HydrophobicContact CE3-CE1 4.49Å; W170-F185 AromaticContact CZ3-CD1 3.97Å; W170-F185 HydrophobicContact CZ3-CD1 3.97Å; W170-F185 HydrophobicContact CZ3-CE1 4.18Å; W170-F259 HydrophobicContact CD2-CD2 4.46Å; W170-F259 AromaticContact CD2-CE2 3.74Å; W170-F259 HydrophobicContact CD2-CE2 3.74Å; W170-F259 AromaticContact CE2-CE2 3.73Å; W170-F259 HydrophobicContact CE3-CD2 4.37Å; W170-F259 HydrophobicContact CE3-CE2 4.09Å; W170-F259 HydrophobicContact CG-CE2 4.08Å; W170-F259 HydrophobicContact CH2-CE2 4.43Å; W170-F259 HydrophobicContact CZ2-CE2 4.1Å; W170-F259 HydrophobicContact CZ3-CD2 4.45Å; W170-F259 HydrophobicContact CZ3-CE2 4.43Å; W170-F259 AromaticContact NE1-CE2 4Å; W170-E262 HydrophobicContact CH2-CB 4.14Å; W170-N263 HydrophobicContact CZ2-CB 4.26Å; W170-L266 HydrophobicContact CH2-CD2 4.47Å; W170-L266 HydrophobicContact CZ2-CB 4.4Å; W170-L266 HydrophobicContact CZ2-CD2 3.62Å
171C97.4Very high95.6Very high0 Ų070.2 Ų70.20%033%0.328CS..Hα-helixtrans-61.7-43.8175-69.60000111.3C167 L168 E169 N174 R175 L178 E186C167-C171 PolarHBondContact O-N 3.38Å; C167-C171 PolarHBondContact O-SG 3.37Å; L168-C171 WeakPolarHBondContact O-CB 3.21Å; L168-C171 PolarHBondContact O-N 3.06Å; E169-C171 VanDerWaalsContact C-N 3.32Å; E169-C171 PolarHBondContact O-N 3.38Å; C171-N174 CarbonylContact O-C 3.47Å; C171-N174 PolarHBondContact O-N 3.37Å; C171-R175 VanDerWaalsContact O-CA 3.28Å; C171-R175 WeakPolarHBondContact O-CA 3.2Å; C171-R175 WeakPolarHBondContact O-CB 3.39Å; C171-R175 PolarHBondContact O-N 3.31Å; C171-L178 HydrophobicContact CB-CD1 4.3Å; C171-E186 HydrophobicContact CB-CB 4.06Å; C171-E186 HydrophobicContact CB-CG 3.94Å
172H95.5Very high95.5Very high133 Ų13376.3 Ų76.362%0.61634%0.344SS*.Hα-helixtrans-63.4-47.4179.3174.8-97.4000111.9L168 E169 W170 N174 R175L168-H172 WeakPolarHBondContact O-CB 3.15Å; L168-H172 PolarHBondContact O-N 2.97Å; E169-H172 WeakPolarHBondContact O-CB 3.31Å; E169-H172 PolarHBondContact O-N 2.67Å; E169-H172 VanDerWaalsContact O-N 3.1Å; W170-H172 VanDerWaalsContact C-N 3.34Å; W170-H172 PolarHBondContact O-N 3.05Å; H172-N174 PolarHBondContact O-N 2.8Å; H172-R175 WeakPolarHBondContact O-CB 3.48Å; H172-R175 PolarHBondContact O-N 3.28Å
173E92.7Very high95.4Very high110 Ų11072.7 Ų72.751%0.51433%0.331SS..Hα-helixtrans-58.3-37.8177.2-75.1-168.8-169.600112.7K21 E169 W170K21-E173 IonicContact NZ-OE2 2.75Å; K21-E173 PolarHBondContact NZ-OE2 3.38Å; E169-E173 WeakPolarHBondContact O-CG 2.97Å; E169-E173 PolarHBondContact O-N 3.03Å; W170-E173 PolarHBondContact O-N 3.38Å
174N93.4Very high95.3Very high14 Ų1471.6 Ų71.68%0.07533%0.332CS..Hα-helixtrans-102.27.6-173.7-60.3-63.7000113.3W170 C171 H172 S176 K177 L178 L266W170-N174 PolarHBondContact NE1-ND2 2.73Å; W170-N174 WeakPolarHBondContact O-CB 3.33Å; W170-N174 PolarHBondContact O-N 3.37Å; W170-N174 VanDerWaalsContact O-N 3.13Å; W170-N174 PolarHBondContact O-ND2 2.73Å; C171-N174 CarbonylContact O-C 3.47Å; C171-N174 PolarHBondContact O-N 3.37Å; H172-N174 PolarHBondContact O-N 2.8Å; N174-S176 VanDerWaalsContact C-N 3.29Å; N174-S176 PolarHBondContact O-N 3.28Å; N174-S176 VanDerWaalsContact O-N 3.08Å; N174-K177 PolarHBondContact O-N 3.46Å; N174-L178 HydrophobicContact CB-CD1 4.15Å; N174-L178 HydrophobicContact CB-CG 4.2Å; N174-L178 PolarHBondContact O-N 2.93Å; N174-L266 HydrophobicContact CB-CD1 3.99Å; N174-L266 HydrophobicContact CB-CD2 3.95Å; N174-L266 VanDerWaalsContact CG-CD2 3.49Å
175R93.9Very high95.3Very high149 Ų14971.3 Ų71.356%0.56233%0.33SS*.Hα-helixtrans-49.2-43.4-171.2-176.7-179.1179.3-160.3-0.1114.5C171 H172 K177 R179C171-R175 VanDerWaalsContact O-CA 3.28Å; C171-R175 WeakPolarHBondContact O-CA 3.2Å; C171-R175 WeakPolarHBondContact O-CB 3.39Å; C171-R175 PolarHBondContact O-N 3.31Å; H172-R175 WeakPolarHBondContact O-CB 3.48Å; H172-R175 PolarHBondContact O-N 3.28Å; R175-K177 VanDerWaalsContact C-N 3.31Å; R175-K177 PolarHBondContact O-N 2.86Å; R175-R179 WeakPolarHBondContact O-CB 3.47Å; R175-R179 PolarHBondContact O-N 3.32Å
176S92.1Very high95.2Very high69 Ų6968.8 Ų68.848%0.48331%0.314SS..Hα-helixtrans-64.6-38.4-178-62.70000112N174 R180N174-S176 VanDerWaalsContact C-N 3.29Å; N174-S176 PolarHBondContact O-N 3.28Å; N174-S176 VanDerWaalsContact O-N 3.08Å; S176-R180 PolarHBondContact O-N 3.42Å
177K92.1Very high95.2Very high26 Ų2667.6 Ų67.611%0.11331%0.309CS..Hα-helixtrans-80.4-41.2-179.4-169.1165.6178.2179.10111.3E17 N174 R175 R179 R180 L181 L266E17-K177 IonicContact OE1-NZ 3.59Å; E17-K177 PolarHBondContact OE1-NZ 3.47Å; E17-K177 IonicContact OE2-NZ 2.69Å; E17-K177 PolarHBondContact OE2-NZ 3.22Å; N174-K177 PolarHBondContact O-N 3.46Å; R175-K177 VanDerWaalsContact C-N 3.31Å; R175-K177 PolarHBondContact O-N 2.86Å; K177-R179 VanDerWaalsContact C-N 3.27Å; K177-R179 PolarHBondContact O-N 2.85Å; K177-R180 WeakPolarHBondContact O-CA 3.28Å; K177-R180 WeakPolarHBondContact O-CB 3.36Å; K177-R180 PolarHBondContact O-N 3.03Å; K177-L181 HydrophobicContact CG-CD1 4.36Å; K177-L181 WeakPolarHBondContact O-CG 3.38Å; K177-L181 PolarHBondContact O-N 3.35Å; K177-L266 HydrophobicContact CB-CD1 3.84Å; K177-L266 HydrophobicContact CD-CD1 3.59Å; K177-L266 HydrophobicContact CD-CG 4.37Å; K177-L266 WeakPolarHBondContact CE-O 3.28Å; K177-L266 HydrophobicContact CG-CD1 3.71Å; K177-L266 PolarHBondContact NZ-O 3.07Å
178L95.2Very high95.1Very high8 Ų870.6 Ų70.64%0.04232%0.322CS..Hα-helixtrans-56.7-41.3172.8-69.4174.7000111.9W170 C171 N174 R180 L181 K182 S183 L266W170-L178 HydrophobicContact CE3-CD1 4.38Å; W170-L178 HydrophobicContact CH2-CD1 4.36Å; W170-L178 HydrophobicContact CH2-CD2 3.88Å; W170-L178 HydrophobicContact CZ3-CD1 3.82Å; W170-L178 HydrophobicContact CZ3-CD2 4.06Å; C171-L178 HydrophobicContact CB-CD1 4.3Å; N174-L178 HydrophobicContact CB-CD1 4.15Å; N174-L178 HydrophobicContact CB-CG 4.2Å; N174-L178 PolarHBondContact O-N 2.93Å; L178-R180 PolarHBondContact O-N 3.4Å; L178-L181 CarbonylContact O-C 3.58Å; L178-L181 PolarHBondContact O-N 2.81Å; L178-K182 PolarHBondContact O-N 3.34Å; L178-K182 VanDerWaalsContact O-N 3.07Å; L178-S183 PolarHBondContact O-N 2.97Å; L178-L266 HydrophobicContact CD2-CD1 4.49Å
179R94.1Very high95.1Very high168 Ų16870 Ų7063%0.63432%0.319SS*.Hα-helixtrans-61.3-42173.3-173.8177.465.5-134.3-0.4112.6R175 K177 L181 K182R175-R179 WeakPolarHBondContact O-CB 3.47Å; R175-R179 PolarHBondContact O-N 3.32Å; K177-R179 VanDerWaalsContact C-N 3.27Å; K177-R179 PolarHBondContact O-N 2.85Å; R179-L181 VanDerWaalsContact C-N 3.28Å; R179-L181 PolarHBondContact O-N 3.07Å; R179-K182 PolarHBondContact O-N 2.97Å; R179-K182 VanDerWaalsContact O-N 3.09Å
180R94.1Very high95.1Very high179 Ų17967 Ų6768%0.67530%0.303SS*.Hα-helixtrans-65.3-34.3176.3-173.1177.367.7-173.13.1111.9S176 K177 L178 K182S176-R180 PolarHBondContact O-N 3.42Å; K177-R180 WeakPolarHBondContact O-CA 3.28Å; K177-R180 WeakPolarHBondContact O-CB 3.36Å; K177-R180 PolarHBondContact O-N 3.03Å; L178-R180 PolarHBondContact O-N 3.4Å; R180-K182 PolarHBondContact O-N 2.98Å
181L94Very high95.1Very high41 Ų4166.9 Ų66.922%0.21530%0.304CS..THydrogen-bonded Turntrans-78.3-1.4174.7-66.6174.3000113.3K177 L178 R179 S183 R265K177-L181 HydrophobicContact CG-CD1 4.36Å; K177-L181 WeakPolarHBondContact O-CG 3.38Å; K177-L181 PolarHBondContact O-N 3.35Å; L178-L181 CarbonylContact O-C 3.58Å; L178-L181 PolarHBondContact O-N 2.81Å; R179-L181 VanDerWaalsContact C-N 3.28Å; R179-L181 PolarHBondContact O-N 3.07Å; L181-S183 PolarHBondContact O-N 3.25Å; L181-R265 HydrophobicContact CD1-CB 4.33Å; L181-R265 PolarHBondContact O-NH2 3.47Å
182K94.2Very high95.1Very high182 Ų18266.9 Ų66.979%0.79130%0.304SS*.THydrogen-bonded Turntrans5138.6-174.4-58.1-178.9179-178.50112.2L178 R179 R180L178-K182 PolarHBondContact O-N 3.34Å; L178-K182 VanDerWaalsContact O-N 3.07Å; R179-K182 PolarHBondContact O-N 2.97Å; R179-K182 VanDerWaalsContact O-N 3.09Å; R180-K182 PolarHBondContact O-N 2.98Å
183S95.6Very high95.2Very high25 Ų2561.8 Ų61.818%0.17528%0.281CS..  trans-69.3131.8179.9-175.90000110.8L178 L181 F185 E262L178-S183 PolarHBondContact O-N 2.97Å; L181-S183 PolarHBondContact O-N 3.25Å; S183-F185 VanDerWaalsContact OG-CB 3.31Å; S183-F185 WeakPolarHBondContact OG-CB 3.5Å; S183-F185 PolarHBondContact OG-N 3.38Å; S183-E262 WeakPolarHBondContact CB-OE2 3.42Å; S183-E262 PolarHBondContact OG-OE2 3.38Å
184T94.7Very high95.5Very high84 Ų8456.6 Ų56.652%0.51526%0.257SS..  trans-97.79171.560.10000111.8L187 K188T184-L187 WeakPolarHBondContact O-CB 3.45Å; T184-L187 PolarHBondContact O-N 2.95Å; T184-K188 PolarHBondContact O-N 3.17Å
185F97.2Very high95.6Very high1 Ų155.9 Ų55.90%0.00425%0.253CS..Hα-helixtrans-66.4-43.8-170-179.6-111.2000112.9C167 W170 S183 L187 K188 V189 L255 E258 F259 E262C167-F185 WeakPolarHBondContact SG-CE1 3.49Å; W170-F185 HydrophobicContact CE3-CE1 4.49Å; W170-F185 AromaticContact CZ3-CD1 3.97Å; W170-F185 HydrophobicContact CZ3-CD1 3.97Å; W170-F185 HydrophobicContact CZ3-CE1 4.18Å; S183-F185 VanDerWaalsContact OG-CB 3.31Å; S183-F185 WeakPolarHBondContact OG-CB 3.5Å; S183-F185 PolarHBondContact OG-N 3.38Å; F185-L187 PolarHBondContact O-N 3.39Å; F185-K188 WeakPolarHBondContact O-CB 3.04Å; F185-K188 PolarHBondContact O-N 3.38Å; F185-V189 HydrophobicContact CD1-CG2 4.3Å; F185-V189 HydrophobicContact CE1-CG2 3.82Å; F185-V189 HydrophobicContact CE2-CG2 4.03Å; F185-V189 HydrophobicContact CZ-CG2 3.63Å; F185-V189 WeakPolarHBondContact O-CG2 3.45Å; F185-V189 PolarHBondContact O-N 3.19Å; F185-L255 HydrophobicContact CE2-CD2 4.28Å; F185-E258 HydrophobicContact CD2-CB 3.87Å; F185-E258 HydrophobicContact CE2-CB 3.8Å; F185-F259 HydrophobicContact CE1-CB 4.18Å; F185-F259 AromaticContact CE1-CD2 3.98Å; F185-F259 HydrophobicContact CE1-CD2 3.98Å; F185-F259 HydrophobicContact CE2-CB 4.12Å; F185-F259 HydrophobicContact CZ-CB 3.54Å; F185-F259 HydrophobicContact CZ-CD2 4.18Å; F185-F259 HydrophobicContact CZ-CG 4.35Å; F185-E262 HydrophobicContact CB-CG 3.79Å; F185-E262 HydrophobicContact CD2-CG 4.35Å; F185-E262 HydrophobicContact CG-CB 4.5Å; F185-E262 HydrophobicContact CG-CG 3.97Å
186E96.7Very high95.8Very high62 Ų6250.3 Ų50.329%0.2923%0.233SC..Hα-helixtrans-54.4-41.5175-174.3-179.6173.100110.8L168 C171 K188 V189 R190L168-E186 HydrophobicContact CD2-CG 4.4Å; C171-E186 HydrophobicContact CB-CB 4.06Å; C171-E186 HydrophobicContact CB-CG 3.94Å; E186-K188 PolarHBondContact O-N 3.21Å; E186-V189 PolarHBondContact O-N 2.91Å; E186-R190 HydrophobicContact CG-CG 4.39Å; E186-R190 WeakPolarHBondContact O-CG 3.48Å; E186-R190 PolarHBondContact O-N 3.31Å; E186-R190 IonicContact OE1-NE 2.78Å
187L95.9Very high96Very high28 Ų2848.6 Ų48.615%0.14722%0.218CC..Hα-helixtrans-61.3-42.9178-177.963.5000112T184 F185 R190 Q191 F214 L217 T221 L225T184-L187 WeakPolarHBondContact O-CB 3.45Å; T184-L187 PolarHBondContact O-N 2.95Å; F185-L187 PolarHBondContact O-N 3.39Å; L187-R190 PolarHBondContact O-N 2.86Å; L187-Q191 VanDerWaalsContact O-CG 3.31Å; L187-Q191 WeakPolarHBondContact O-CG 3.26Å; L187-Q191 PolarHBondContact O-N 3.33Å; L187-F214 HydrophobicContact CD1-CD1 3.91Å; L187-F214 HydrophobicContact CD1-CE1 3.87Å; L187-L217 HydrophobicContact CD1-CD1 3.75Å; L187-T221 HydrophobicContact CD2-CG2 3.47Å; L187-T221 VanDerWaalsContact CD2-CG2 3.47Å; L187-L225 HydrophobicContact CD1-CD1 4.18Å; L187-L225 HydrophobicContact CD1-CD2 4.13Å; L187-L225 HydrophobicContact CG-CD2 4.36Å
188K97Very high96.2Very high64 Ų6448 Ų4828%0.27822%0.217SC..Hα-helixtrans-66.1-37178.5-69.1178.6172.2-171.30112.5T184 F185 E186 Q191 Q192 L255 E258T184-K188 PolarHBondContact O-N 3.17Å; F185-K188 WeakPolarHBondContact O-CB 3.04Å; F185-K188 PolarHBondContact O-N 3.38Å; E186-K188 PolarHBondContact O-N 3.21Å; K188-Q191 WeakPolarHBondContact O-CB 3.31Å; K188-Q191 PolarHBondContact O-N 3.09Å; K188-Q192 PolarHBondContact O-N 3.08Å; K188-Q192 VanDerWaalsContact O-N 3.09Å; K188-L255 HydrophobicContact CB-CD2 4.04Å; K188-E258 WeakPolarHBondContact CD-OE2 3.02Å; K188-E258 WeakPolarHBondContact CE-OE2 3.47Å; K188-E258 IonicContact NZ-OE1 2.97Å; K188-E258 PolarHBondContact NZ-OE1 2.97Å; K188-E258 IonicContact NZ-OE2 3.73Å; K188-E258 PolarHBondContact NZ-OE2 3.18Å
189V98Very high96.2Very high0 Ų051.3 Ų51.30%023%0.228CC..Hα-helixtrans-65.1-43.9173.5-178.70000110.4T164 C167 L168 F185 E186 Q191 Q192 D193 L255T164-V189 HydrophobicContact CG2-CG1 3.85Å; C167-V189 HydrophobicContact CB-CG1 4.39Å; L168-V189 HydrophobicContact CD1-CG1 4.49Å; L168-V189 HydrophobicContact CD2-CB 4.04Å; L168-V189 HydrophobicContact CD2-CG1 3.58Å; L168-V189 HydrophobicContact CG-CG1 3.76Å; F185-V189 HydrophobicContact CD1-CG2 4.3Å; F185-V189 HydrophobicContact CE1-CG2 3.82Å; F185-V189 HydrophobicContact CE2-CG2 4.03Å; F185-V189 HydrophobicContact CZ-CG2 3.63Å; F185-V189 WeakPolarHBondContact O-CG2 3.45Å; F185-V189 PolarHBondContact O-N 3.19Å; E186-V189 PolarHBondContact O-N 2.91Å; V189-Q191 VanDerWaalsContact C-N 3.33Å; V189-Q191 PolarHBondContact O-N 3.14Å; V189-Q192 WeakPolarHBondContact O-CB 3.4Å; V189-Q192 PolarHBondContact O-N 2.99Å; V189-Q192 VanDerWaalsContact O-N 3.07Å; V189-D193 PolarHBondContact O-N 3.35Å; V189-D193 VanDerWaalsContact O-N 3.14Å; V189-L255 HydrophobicContact CG2-CD2 4.29Å
190R97.4Very high96.2Very high43 Ų4348.1 Ų48.116%0.16222%0.224CC..Hα-helixtrans-63.9-35.5175.1-63.2-68.5-175.8-170.6-9.3112.6L168 E186 L187 Q192 D193 F194 Y209 H213 F214L168-R190 HydrophobicContact CD2-CG 4.16Å; E186-R190 HydrophobicContact CG-CG 4.39Å; E186-R190 WeakPolarHBondContact O-CG 3.48Å; E186-R190 PolarHBondContact O-N 3.31Å; E186-R190 IonicContact OE1-NE 2.78Å; L187-R190 PolarHBondContact O-N 2.86Å; R190-Q192 VanDerWaalsContact C-N 3.28Å; R190-D193 PolarHBondContact O-N 3.5Å; R190-F194 PolarHBondContact O-N 3.31Å; R190-F194 VanDerWaalsContact O-N 3.16Å; R190-Y209 HydrophobicContact CB-CE1 4.31Å; R190-Y209 WeakPolarHBondContact CD-OH 3.3Å; R190-Y209 PolarHBondContact NH1-OH 2.86Å; R190-H213 VanDerWaalsContact CZ-CE1 3.47Å; R190-H213 PolarHBondContact NH1-CE1 3.3Å; R190-F214 HydrophobicContact CB-CE1 3.76Å; R190-F214 HydrophobicContact CB-CZ 4.19Å
191Q96.6Very high96.2Very high18 Ų1845.2 Ų45.28%0.08422%0.222CC..Hα-helixtrans-60.2-41171.4-74.6169.29.100110.9L187 K188 V189 F194 I195 L225 T228L187-Q191 VanDerWaalsContact O-CG 3.31Å; L187-Q191 WeakPolarHBondContact O-CG 3.26Å; L187-Q191 PolarHBondContact O-N 3.33Å; K188-Q191 WeakPolarHBondContact O-CB 3.31Å; K188-Q191 PolarHBondContact O-N 3.09Å; V189-Q191 VanDerWaalsContact C-N 3.33Å; V189-Q191 PolarHBondContact O-N 3.14Å; Q191-F194 WeakPolarHBondContact O-CB 3.42Å; Q191-F194 PolarHBondContact O-N 2.95Å; Q191-I195 WeakPolarHBondContact O-CD1 3.45Å; Q191-I195 VanDerWaalsContact O-CG1 3.24Å; Q191-I195 WeakPolarHBondContact O-CG1 3.3Å; Q191-I195 PolarHBondContact O-N 2.89Å; Q191-L225 HydrophobicContact CG-CD2 3.28Å; Q191-T228 HydrophobicContact CB-CG2 4.41Å; Q191-T228 HydrophobicContact CG-CG2 4.48Å
192Q97.6Very high96.3Very high0 Ų047.2 Ų47.20%023%0.23CC..Hα-helixtrans-63.8-46.3178.4-165.562.428.200111.8K188 V189 R190 F194 I195 E196 W252 L255K188-Q192 PolarHBondContact O-N 3.08Å; K188-Q192 VanDerWaalsContact O-N 3.09Å; V189-Q192 WeakPolarHBondContact O-CB 3.4Å; V189-Q192 PolarHBondContact O-N 2.99Å; V189-Q192 VanDerWaalsContact O-N 3.07Å; R190-Q192 VanDerWaalsContact C-N 3.28Å; Q192-F194 VanDerWaalsContact C-N 3.25Å; Q192-F194 PolarHBondContact O-N 3.24Å; Q192-I195 WeakPolarHBondContact O-CB 3.44Å; Q192-I195 PolarHBondContact O-N 3.46Å; Q192-E196 HydrophobicContact CG-CG 4.45Å; Q192-E196 PolarHBondContact NE2-OE1 2.73Å; Q192-E196 WeakPolarHBondContact O-CG 3.49Å; Q192-E196 PolarHBondContact O-N 3.26Å; Q192-W252 HydrophobicContact CG-CD2 4.42Å; Q192-W252 HydrophobicContact CG-CE3 4.49Å; Q192-W252 HydrophobicContact CG-CH2 3.87Å; Q192-W252 HydrophobicContact CG-CZ2 3.79Å; Q192-W252 HydrophobicContact CG-CZ3 4.23Å; Q192-L255 HydrophobicContact CB-CD1 3.71Å; Q192-L255 HydrophobicContact CG-CD1 3.7Å
193D97.5Very high96.3Very high27 Ų2744.9 Ų44.914%0.14422%0.216CC..Hα-helixtrans-53.8-45.3174.2-78.2-9.5000112T164 L168 V189 R190 I195 E196 L197 Y209T164-D193 VanDerWaalsContact CB-OD1 3.24Å; T164-D193 WeakPolarHBondContact CB-OD1 3.43Å; T164-D193 WeakPolarHBondContact CG2-OD1 3.24Å; T164-D193 VanDerWaalsContact OG1-CG 3.29Å; T164-D193 PolarHBondContact OG1-OD1 3.42Å; T164-D193 PolarHBondContact OG1-OD2 3.04Å; L168-D193 WeakPolarHBondContact CD1-OD2 3.32Å; V189-D193 PolarHBondContact O-N 3.35Å; V189-D193 VanDerWaalsContact O-N 3.14Å; R190-D193 PolarHBondContact O-N 3.5Å; D193-I195 PolarHBondContact O-N 3.15Å; D193-E196 PolarHBondContact O-N 3.34Å; D193-L197 VanDerWaalsContact O-CG 3.3Å; D193-L197 WeakPolarHBondContact O-CG 3.4Å; D193-L197 PolarHBondContact O-N 2.81Å; D193-Y209 HydrophobicContact CB-CE1 3.92Å; D193-Y209 HydrophobicContact CB-CE2 4.09Å; D193-Y209 WeakPolarHBondContact CB-OH 3.38Å; D193-Y209 PolarHBondContact OD2-OH 3.31Å
194F97.6Very high96.3Very high0 Ų048.6 Ų48.60%024%0.238CC..Hα-helixtrans-61.2-44.2177.6174.8-93.4000111.9R190 Q191 Q192 L197 L198 A206 Y209 A210 F214 T228 M229 L232R190-F194 PolarHBondContact O-N 3.31Å; R190-F194 VanDerWaalsContact O-N 3.16Å; Q191-F194 WeakPolarHBondContact O-CB 3.42Å; Q191-F194 PolarHBondContact O-N 2.95Å; Q192-F194 VanDerWaalsContact C-N 3.25Å; Q192-F194 PolarHBondContact O-N 3.24Å; F194-L197 PolarHBondContact O-N 3.28Å; F194-L198 HydrophobicContact CD1-CD1 4.02Å; F194-L198 HydrophobicContact CE1-CD1 3.36Å; F194-L198 HydrophobicContact CE1-CG 4.19Å; F194-L198 HydrophobicContact CE2-CD1 4.49Å; F194-L198 HydrophobicContact CZ-CD1 3.66Å; F194-L198 HydrophobicContact CZ-CG 4.26Å; F194-L198 WeakPolarHBondContact O-CG 3.5Å; F194-L198 PolarHBondContact O-N 3.28Å; F194-L198 VanDerWaalsContact O-N 3.15Å; F194-A206 HydrophobicContact CD2-CB 3.94Å; F194-A206 WeakPolarHBondContact CD2-O 3.47Å; F194-A206 HydrophobicContact CE2-CB 3.83Å; F194-A206 WeakPolarHBondContact CE2-O 3.42Å; F194-Y209 HydrophobicContact CB-CD1 4.42Å; F194-A210 HydrophobicContact CD2-CB 3.95Å; F194-A210 HydrophobicContact CE2-CB 3.79Å; F194-F214 HydrophobicContact CB-CE2 4.09Å; F194-F214 HydrophobicContact CB-CZ 4.26Å; F194-F214 HydrophobicContact CD2-CE2 4.24Å; F194-F214 HydrophobicContact CG-CE2 4.14Å; F194-T228 HydrophobicContact CD1-CG2 3.66Å; F194-T228 HydrophobicContact CE1-CG2 4.03Å; F194-T228 WeakPolarHBondContact CE1-O 3.5Å; F194-M229 HydrophobicContact CD1-CE 4.02Å; F194-M229 HydrophobicContact CD2-CE 4.41Å; F194-M229 HydrophobicContact CE1-CE 3.76Å; F194-M229 HydrophobicContact CE2-CE 4.18Å; F194-M229 HydrophobicContact CG-CE 4.32Å; F194-M229 HydrophobicContact CZ-CE 3.82Å; F194-M229 HydrophobicContact CZ-SD 4.11Å; F194-L232 HydrophobicContact CZ-CD1 4.15Å; F194-L232 HydrophobicContact CZ-CD2 4.23Å; F194-L232 HydrophobicContact CZ-CG 3.94Å
195I96.7Very high96.5Very high0 Ų049.2 Ų49.20%024%0.238CC..Hα-helixtrans-62-44.7177.2-67.7163000110.6Q191 Q192 D193 L198 R199 T228 L231 W247Q191-I195 WeakPolarHBondContact O-CD1 3.45Å; Q191-I195 VanDerWaalsContact O-CG1 3.24Å; Q191-I195 WeakPolarHBondContact O-CG1 3.3Å; Q191-I195 PolarHBondContact O-N 2.89Å; Q192-I195 WeakPolarHBondContact O-CB 3.44Å; Q192-I195 PolarHBondContact O-N 3.46Å; D193-I195 PolarHBondContact O-N 3.15Å; I195-L198 PolarHBondContact O-N 3.29Å; I195-R199 PolarHBondContact O-N 3.14Å; I195-T228 HydrophobicContact CD1-CG2 4.13Å; I195-T228 HydrophobicContact CG1-CG2 3.92Å; I195-L231 HydrophobicContact CD1-CD1 4.46Å; I195-L231 HydrophobicContact CG1-CD1 3.83Å; I195-W247 HydrophobicContact CG2-CE3 3.7Å; I195-W247 HydrophobicContact CG2-CZ3 3.72Å; I195-W247 WeakPolarHBondContact O-CZ3 3.25Å
196E96.7Very high96.4Very high32 Ų3249.1 Ų49.115%0.1524%0.238CC..Hα-helixtrans-67.3-37.3-179.9-63.5-54.615100112.5Q192 D193 L198 R199 N200 W252Q192-E196 HydrophobicContact CG-CG 4.45Å; Q192-E196 PolarHBondContact NE2-OE1 2.73Å; Q192-E196 WeakPolarHBondContact O-CG 3.49Å; Q192-E196 PolarHBondContact O-N 3.26Å; D193-E196 PolarHBondContact O-N 3.34Å; E196-L198 VanDerWaalsContact C-N 3.28Å; E196-L198 PolarHBondContact O-N 3.35Å; E196-R199 PolarHBondContact O-N 3.35Å; E196-R199 IonicContact OE1-CZ 2.68Å; E196-R199 IonicContact OE1-NH1 2.72Å; E196-R199 PolarHBondContact OE1-NH1 2.91Å; E196-R199 IonicContact OE1-NH2 2.75Å; E196-R199 IonicContact OE2-CZ 2.77Å; E196-R199 IonicContact OE2-NE 3.63Å; E196-R199 IonicContact OE2-NH1 3.16Å; E196-R199 PolarHBondContact OE2-NH1 3.08Å; E196-N200 PolarHBondContact O-N 3.24Å; E196-W252 HydrophobicContact CG-CZ2 3.79Å; E196-W252 PolarHBondContact OE1-NE1 3Å
197L97.1Very high96.4Very high32 Ų3249.1 Ų49.117%0.16824%0.239CC..Hα-helixtrans-59.5-40.3171.7-71.8169.8000111.6D193 F194 N200 N201 E202 L205 A206 Y209D193-L197 VanDerWaalsContact O-CG 3.3Å; D193-L197 WeakPolarHBondContact O-CG 3.4Å; D193-L197 PolarHBondContact O-N 2.81Å; F194-L197 PolarHBondContact O-N 3.28Å; L197-N200 PolarHBondContact O-N 2.88Å; L197-N201 PolarHBondContact O-N 3.41Å; L197-E202 WeakPolarHBondContact CD2-OE2 3.47Å; L197-E202 WeakPolarHBondContact O-CB 3.49Å; L197-E202 PolarHBondContact O-N 3.22Å; L197-L205 HydrophobicContact CD2-CB 4.3Å; L197-A206 HydrophobicContact CB-CB 3.81Å; L197-A206 HydrophobicContact CD1-CB 4.45Å; L197-Y209 HydrophobicContact CD1-CD2 4.09Å; L197-Y209 HydrophobicContact CD1-CG 3.99Å
198L96.3Very high96.5Very high14 Ų1451.7 Ų51.77%0.07325%0.253CS..Hα-helixtrans-70.1-37.7175.6-65.7-178.9000112.5F194 I195 E196 N200 N201 R203 A206 L231 L232 W247F194-L198 HydrophobicContact CD1-CD1 4.02Å; F194-L198 HydrophobicContact CE1-CD1 3.36Å; F194-L198 HydrophobicContact CE1-CG 4.19Å; F194-L198 HydrophobicContact CE2-CD1 4.49Å; F194-L198 HydrophobicContact CZ-CD1 3.66Å; F194-L198 HydrophobicContact CZ-CG 4.26Å; F194-L198 WeakPolarHBondContact O-CG 3.5Å; F194-L198 PolarHBondContact O-N 3.28Å; F194-L198 VanDerWaalsContact O-N 3.15Å; I195-L198 PolarHBondContact O-N 3.29Å; E196-L198 VanDerWaalsContact C-N 3.28Å; E196-L198 PolarHBondContact O-N 3.35Å; L198-N200 PolarHBondContact O-N 3.45Å; L198-N201 WeakPolarHBondContact O-CA 3.5Å; L198-N201 PolarHBondContact O-N 3.36Å; L198-R203 HydrophobicContact CD2-CG 4.28Å; L198-A206 HydrophobicContact CD2-CB 3.45Å; L198-A206 VanDerWaalsContact CD2-CB 3.45Å; L198-A206 HydrophobicContact CG-CB 3.88Å; L198-L231 HydrophobicContact CD1-CB 3.72Å; L198-L232 HydrophobicContact CD1-CD2 4.43Å; L198-L232 HydrophobicContact CD1-CG 4.46Å; L198-L232 HydrophobicContact CD2-CD2 3.62Å; L198-L232 HydrophobicContact CD2-CG 4.48Å; L198-W247 HydrophobicContact CB-CH2 3.67Å; L198-W247 HydrophobicContact CB-CZ3 4.24Å; L198-W247 HydrophobicContact CD1-CH2 4.42Å
199R94.8Very high96.5Very high77 Ų7750.3 Ų50.329%0.29125%0.246SC..Hα-helixtrans-60.7-36.6175.3-172-179.8-74.9152-2.5111.3I195 E196 N201 W247I195-R199 PolarHBondContact O-N 3.14Å; E196-R199 PolarHBondContact O-N 3.35Å; E196-R199 IonicContact OE1-CZ 2.68Å; E196-R199 IonicContact OE1-NH1 2.72Å; E196-R199 PolarHBondContact OE1-NH1 2.91Å; E196-R199 IonicContact OE1-NH2 2.75Å; E196-R199 IonicContact OE2-CZ 2.77Å; E196-R199 IonicContact OE2-NE 3.63Å; E196-R199 IonicContact OE2-NH1 3.16Å; E196-R199 PolarHBondContact OE2-NH1 3.08Å; R199-N201 PolarHBondContact O-N 3.48Å; R199-W247 HydrophobicContact CB-CZ3 4.04Å; R199-W247 PolarHBondContact NH2-O 2.93Å
200N94.8Very high96.4Very high102 Ų10251 Ų5155%0.54525%0.251SS..THydrogen-bonded Turntrans-79.37174.9-66.2-18.5000113.8E196 L197 L198 E202E196-N200 PolarHBondContact O-N 3.24Å; L197-N200 PolarHBondContact O-N 2.88Å; L198-N200 PolarHBondContact O-N 3.45Å; N200-E202 HydrophobicContact CB-CG 4.12Å; N200-E202 PolarHBondContact O-N 3.32Å
201N93.5Very high96.4Very high118 Ų11857.4 Ų57.463%0.63128%0.275SS*.THydrogen-bonded Turntrans60.521.1-177.1-159.831.9000114.4L197 L198 R199 R203L197-N201 PolarHBondContact O-N 3.41Å; L198-N201 WeakPolarHBondContact O-CA 3.5Å; L198-N201 PolarHBondContact O-N 3.36Å; R199-N201 PolarHBondContact O-N 3.48Å; N201-R203 VanDerWaalsContact C-N 3.26Å; N201-R203 PolarHBondContact O-N 3.31Å; N201-R203 VanDerWaalsContact O-N 3.09Å
202E95.8Very high96.3Very high82 Ų8263.9 Ų63.938%0.38330%0.303SS..  trans-88.353.7179.3-62.4-179.7-17200111.6L197 N200 T204 L205 A206L197-E202 WeakPolarHBondContact CD2-OE2 3.47Å; L197-E202 WeakPolarHBondContact O-CB 3.49Å; L197-E202 PolarHBondContact O-N 3.22Å; N200-E202 HydrophobicContact CB-CG 4.12Å; N200-E202 PolarHBondContact O-N 3.32Å; E202-T204 VanDerWaalsContact C-N 3.31Å; E202-T204 PolarHBondContact O-N 3.05Å; E202-L205 HydrophobicContact CB-CB 4.2Å; E202-L205 HydrophobicContact CB-CD1 4.19Å; E202-L205 HydrophobicContact CG-CD1 4.45Å; E202-L205 PolarHBondContact O-N 2.72Å; E202-L205 VanDerWaalsContact OE2-CD1 3.24Å; E202-L205 WeakPolarHBondContact OE2-CD1 3.11Å; E202-A206 PolarHBondContact O-N 3.34Å
203R94.9Very high96.2Very high133 Ų13366.1 Ų66.150%0.50231%0.314SS..Hα-helixtrans-55.2-42-170.3-65-175.5-179.7-171.4-3.8113.9L198 N201 L205 A206 I207L198-R203 HydrophobicContact CD2-CG 4.28Å; N201-R203 VanDerWaalsContact C-N 3.26Å; N201-R203 PolarHBondContact O-N 3.31Å; N201-R203 VanDerWaalsContact O-N 3.09Å; R203-L205 VanDerWaalsContact C-N 3.32Å; R203-L205 PolarHBondContact O-N 3.26Å; R203-A206 PolarHBondContact O-N 3.15Å; R203-I207 VanDerWaalsContact O-CG1 3.32Å; R203-I207 WeakPolarHBondContact O-CG1 3.34Å; R203-I207 PolarHBondContact O-N 3.31Å
204T96.2Very high96.1Very high104 Ų10465 Ų6564%0.63831%0.308SS*.Hα-helixtrans-62.8-40.3179.2-52.80000111.6E202 I207 N208E202-T204 VanDerWaalsContact C-N 3.31Å; E202-T204 PolarHBondContact O-N 3.05Å; T204-I207 PolarHBondContact O-N 2.97Å; T204-N208 PolarHBondContact O-N 2.98Å; T204-N208 VanDerWaalsContact O-N 3.1Å; T204-N208 PolarHBondContact O-ND2 3.37Å
205L97.4Very high95.8Very high96 Ų9667.8 Ų67.850%0.50334%0.336SS..Hα-helixtrans-69-41.8176.9-67.4177.4000110.9L197 E202 R203 I207 N208 Y209L197-L205 HydrophobicContact CD2-CB 4.3Å; E202-L205 HydrophobicContact CB-CB 4.2Å; E202-L205 HydrophobicContact CB-CD1 4.19Å; E202-L205 HydrophobicContact CG-CD1 4.45Å; E202-L205 PolarHBondContact O-N 2.72Å; E202-L205 VanDerWaalsContact OE2-CD1 3.24Å; E202-L205 WeakPolarHBondContact OE2-CD1 3.11Å; R203-L205 VanDerWaalsContact C-N 3.32Å; R203-L205 PolarHBondContact O-N 3.26Å; L205-I207 PolarHBondContact O-N 3.17Å; L205-N208 PolarHBondContact O-N 3.35Å; L205-Y209 VanDerWaalsContact O-CB 3.31Å; L205-Y209 WeakPolarHBondContact O-CB 3.35Å; L205-Y209 PolarHBondContact O-N 3.2Å
206A97.1Very high95.5Very high0 Ų077.3 Ų77.30%038%0.378CS..Hα-helixtrans-57.9-44.9174.300000112.2F194 L197 L198 E202 R203 N208 Y209 A210F194-A206 HydrophobicContact CD2-CB 3.94Å; F194-A206 WeakPolarHBondContact CD2-O 3.47Å; F194-A206 HydrophobicContact CE2-CB 3.83Å; F194-A206 WeakPolarHBondContact CE2-O 3.42Å; L197-A206 HydrophobicContact CB-CB 3.81Å; L197-A206 HydrophobicContact CD1-CB 4.45Å; L198-A206 HydrophobicContact CD2-CB 3.45Å; L198-A206 VanDerWaalsContact CD2-CB 3.45Å; L198-A206 HydrophobicContact CG-CB 3.88Å; E202-A206 PolarHBondContact O-N 3.34Å; R203-A206 PolarHBondContact O-N 3.15Å; A206-N208 PolarHBondContact O-N 2.85Å; A206-Y209 WeakPolarHBondContact O-CB 3.35Å; A206-Y209 PolarHBondContact O-N 3Å; A206-A210 WeakPolarHBondContact O-CB 3.25Å; A206-A210 PolarHBondContact O-N 3.38Å
207I96.6Very high95.3Very high62 Ų6278.5 Ų78.532%0.31839%0.385SS..Hα-helixtrans-62.5-44.7177.2-68.5165.6000111.1R203 T204 L205 Y209 A210 R211 L232R203-I207 VanDerWaalsContact O-CG1 3.32Å; R203-I207 WeakPolarHBondContact O-CG1 3.34Å; R203-I207 PolarHBondContact O-N 3.31Å; T204-I207 PolarHBondContact O-N 2.97Å; L205-I207 PolarHBondContact O-N 3.17Å; I207-Y209 VanDerWaalsContact C-N 3.33Å; I207-Y209 PolarHBondContact O-N 2.94Å; I207-A210 PolarHBondContact O-N 3.38Å; I207-R211 WeakPolarHBondContact O-CG 3.49Å; I207-R211 PolarHBondContact O-N 3.2Å; I207-L232 HydrophobicContact CD1-CD2 4.35Å; I207-L232 HydrophobicContact CG1-CD2 3.88Å
208N97.5Very high95.1Very high81 Ų8181 Ų8143%0.43340%0.398SS..Hα-helixtrans-65.3-39177.9-72.9-25.6000111.8T204 L205 A206 R211 K212T204-N208 PolarHBondContact O-N 2.98Å; T204-N208 VanDerWaalsContact O-N 3.1Å; T204-N208 PolarHBondContact O-ND2 3.37Å; L205-N208 PolarHBondContact O-N 3.35Å; A206-N208 PolarHBondContact O-N 2.85Å; N208-R211 PolarHBondContact O-N 2.75Å; N208-K212 WeakPolarHBondContact O-CB 3.25Å; N208-K212 PolarHBondContact O-N 3.46Å
209Y97.1Very high94.9Very high36 Ų3688.6 Ų88.614%0.14143%0.433CS..Hα-helixtrans-61.2-48.2174.3-170.1-82.7000111.3R190 D193 F194 L197 L205 A206 I207 R211 K212 H213R190-Y209 HydrophobicContact CB-CE1 4.31Å; R190-Y209 WeakPolarHBondContact CD-OH 3.3Å; R190-Y209 PolarHBondContact NH1-OH 2.86Å; D193-Y209 HydrophobicContact CB-CE1 3.92Å; D193-Y209 HydrophobicContact CB-CE2 4.09Å; D193-Y209 WeakPolarHBondContact CB-OH 3.38Å; D193-Y209 PolarHBondContact OD2-OH 3.31Å; F194-Y209 HydrophobicContact CB-CD1 4.42Å; L197-Y209 HydrophobicContact CD1-CD2 4.09Å; L197-Y209 HydrophobicContact CD1-CG 3.99Å; L205-Y209 VanDerWaalsContact O-CB 3.31Å; L205-Y209 WeakPolarHBondContact O-CB 3.35Å; L205-Y209 PolarHBondContact O-N 3.2Å; A206-Y209 WeakPolarHBondContact O-CB 3.35Å; A206-Y209 PolarHBondContact O-N 3Å; I207-Y209 VanDerWaalsContact C-N 3.33Å; I207-Y209 PolarHBondContact O-N 2.94Å; Y209-R211 PolarHBondContact O-N 3.11Å; Y209-K212 PolarHBondContact O-N 3Å; Y209-H213 AromaticContact CD1-CD2 3.88Å; Y209-H213 AromaticContact CD2-CD2 3.93Å; Y209-H213 HydrophobicContact CE1-CB 4.28Å; Y209-H213 AromaticContact CE1-CD2 3.66Å; Y209-H213 AromaticContact CE2-CD2 3.75Å; Y209-H213 AromaticContact CE2-NE2 3.95Å; Y209-H213 AromaticContact CG-CD2 4Å; Y209-H213 AromaticContact CZ-CD2 3.6Å; Y209-H213 PolarHBondContact O-CD2 3.36Å; Y209-H213 PolarHBondContact O-N 3.44Å
210A96.3Very high94.8Very high13 Ų1391.3 Ų91.311%0.10745%0.453CS..Hα-helixtrans-59.7-44.5176.700000112F194 A206 I207 K212 H213 F214 G215 M229F194-A210 HydrophobicContact CD2-CB 3.95Å; F194-A210 HydrophobicContact CE2-CB 3.79Å; A206-A210 WeakPolarHBondContact O-CB 3.25Å; A206-A210 PolarHBondContact O-N 3.38Å; I207-A210 PolarHBondContact O-N 3.38Å; A210-K212 VanDerWaalsContact C-N 3.3Å; A210-K212 PolarHBondContact O-N 3.46Å; A210-H213 PolarHBondContact O-N 2.72Å; A210-F214 VanDerWaalsContact CA-CD2 3.48Å; A210-F214 HydrophobicContact CB-CD2 3.59Å; A210-F214 HydrophobicContact CB-CE2 4.03Å; A210-F214 WeakPolarHBondContact O-CA 3.24Å; A210-F214 VanDerWaalsContact O-CB 3.24Å; A210-F214 WeakPolarHBondContact O-CB 3.44Å; A210-F214 PolarHBondContact O-N 3.04Å; A210-G215 PolarHBondContact O-N 3.4Å; A210-M229 HydrophobicContact CB-SD 4.34Å
211R95.7Very high94.7Very high178 Ų17888.4 Ų88.467%0.67244%0.439SS*.Hα-helixtrans-59.1-42.3175.4-74.5174.1178.7170-1.7112.1I207 N208 Y209 G215I207-R211 WeakPolarHBondContact O-CG 3.49Å; I207-R211 PolarHBondContact O-N 3.2Å; N208-R211 PolarHBondContact O-N 2.75Å; Y209-R211 PolarHBondContact O-N 3.11Å; R211-G215 PolarHBondContact O-N 2.92Å
212K95.9Very high94.6Very high154 Ų15486.7 Ų86.767%0.6743%0.427SS*.Hα-helixtrans-68-44.4-179-178.5179.4174.7-173.90112.6N208 Y209 A210N208-K212 WeakPolarHBondContact O-CB 3.25Å; N208-K212 PolarHBondContact O-N 3.46Å; Y209-K212 PolarHBondContact O-N 3Å; A210-K212 VanDerWaalsContact C-N 3.3Å; A210-K212 PolarHBondContact O-N 3.46Å
213H95.3Very high94.5Very high48 Ų4888.9 Ų88.922%0.22244%0.437CS..Hα-helixtrans-101-31.4-169.4-70.1-71.5000114.1R190 Y209 A210R190-H213 VanDerWaalsContact CZ-CE1 3.47Å; R190-H213 PolarHBondContact NH1-CE1 3.3Å; Y209-H213 AromaticContact CD1-CD2 3.88Å; Y209-H213 AromaticContact CD2-CD2 3.93Å; Y209-H213 HydrophobicContact CE1-CB 4.28Å; Y209-H213 AromaticContact CE1-CD2 3.66Å; Y209-H213 AromaticContact CE2-CD2 3.75Å; Y209-H213 AromaticContact CE2-NE2 3.95Å; Y209-H213 AromaticContact CG-CD2 4Å; Y209-H213 AromaticContact CZ-CD2 3.6Å; Y209-H213 PolarHBondContact O-CD2 3.36Å; Y209-H213 PolarHBondContact O-N 3.44Å; A210-H213 PolarHBondContact O-N 2.72Å
214F95.7Very high94.4Very high4 Ų487.2 Ų87.22%0.01844%0.441CS..Hα-helixtrans-101.3-18.1-178.3-48.6-36.4000113.3L187 R190 F194 A210 K216 L217 L225 M229L187-F214 HydrophobicContact CD1-CD1 3.91Å; L187-F214 HydrophobicContact CD1-CE1 3.87Å; R190-F214 HydrophobicContact CB-CE1 3.76Å; R190-F214 HydrophobicContact CB-CZ 4.19Å; F194-F214 HydrophobicContact CB-CE2 4.09Å; F194-F214 HydrophobicContact CB-CZ 4.26Å; F194-F214 HydrophobicContact CD2-CE2 4.24Å; F194-F214 HydrophobicContact CG-CE2 4.14Å; A210-F214 VanDerWaalsContact CA-CD2 3.48Å; A210-F214 HydrophobicContact CB-CD2 3.59Å; A210-F214 HydrophobicContact CB-CE2 4.03Å; A210-F214 WeakPolarHBondContact O-CA 3.24Å; A210-F214 VanDerWaalsContact O-CB 3.24Å; A210-F214 WeakPolarHBondContact O-CB 3.44Å; A210-F214 PolarHBondContact O-N 3.04Å; F214-K216 PolarHBondContact O-N 3.32Å; F214-K216 VanDerWaalsContact O-N 3.07Å; F214-L217 HydrophobicContact CB-CD1 3.91Å; F214-L217 HydrophobicContact CD1-CD1 4.02Å; F214-L217 HydrophobicContact CG-CD1 4.36Å; F214-L217 WeakPolarHBondContact O-CB 3.49Å; F214-L217 WeakPolarHBondContact O-CG 3.41Å; F214-L217 PolarHBondContact O-N 2.85Å; F214-L217 VanDerWaalsContact O-N 3.17Å; F214-L225 HydrophobicContact CB-CD1 3.9Å; F214-L225 HydrophobicContact CD1-CD1 3.85Å; F214-L225 HydrophobicContact CD2-CD1 4.25Å; F214-L225 HydrophobicContact CE1-CD1 4.46Å; F214-L225 HydrophobicContact CG-CD1 3.74Å; F214-M229 HydrophobicContact CD2-CE 3.47Å; F214-M229 VanDerWaalsContact CD2-CE 3.47Å; F214-M229 HydrophobicContact CD2-SD 4.3Å; F214-M229 HydrophobicContact CE2-CE 3.46Å; F214-M229 VanDerWaalsContact CE2-CE 3.46Å
215G91.3Very high94.3Very high58 Ų5882.3 Ų82.360%0.59841%0.411SS*.THydrogen-bonded Turntrans-66.4-10.3-17600000116.2A210 R211A210-G215 PolarHBondContact O-N 3.4Å; R211-G215 PolarHBondContact O-N 2.92Å
216K89.9Confident94.1Very high200 Ų20081.1 Ų81.187%0.8740%0.404SS*.THydrogen-bonded Turntrans-109.47.3178.3-62.8-176-179.4-1790113.5F214F214-K216 PolarHBondContact O-N 3.32Å; F214-K216 VanDerWaalsContact O-N 3.07Å
217L92.4Very high93.9Very high56 Ų5684 Ų8429%0.29342%0.423SS..SBendtrans-76.6149.6179.1-61.6174.1000110.3L187 F214 T221 L225L187-L217 HydrophobicContact CD1-CD1 3.75Å; F214-L217 HydrophobicContact CB-CD1 3.91Å; F214-L217 HydrophobicContact CD1-CD1 4.02Å; F214-L217 HydrophobicContact CG-CD1 4.36Å; F214-L217 WeakPolarHBondContact O-CB 3.49Å; F214-L217 WeakPolarHBondContact O-CG 3.41Å; F214-L217 PolarHBondContact O-N 2.85Å; F214-L217 VanDerWaalsContact O-N 3.17Å; L217-T221 HydrophobicContact CB-CG2 4.48Å; L217-T221 HydrophobicContact CD1-CG2 4.25Å; L217-T221 HydrophobicContact CD2-CG2 4.18Å; L217-L225 HydrophobicContact CD1-CD1 3.38Å
218D92.9Very high93.8Very high85 Ų8581.2 Ų81.246%0.45541%0.409SS..  trans-64.8160.9167.356.692.5000111.2D220 T221 F222D218-D220 VanDerWaalsContact C-N 3.31Å; D218-D220 PolarHBondContact O-N 2.97Å; D218-D220 PolarHBondContact OD1-N 2.85Å; D218-T221 PolarHBondContact O-N 3.13Å; D218-T221 VanDerWaalsContact OD1-CB 3.3Å; D218-T221 WeakPolarHBondContact OD1-CB 3.32Å; D218-T221 PolarHBondContact OD1-N 2.84Å; D218-T221 PolarHBondContact OD1-OG1 3.13Å; D218-T221 WeakPolarHBondContact OD2-CB 3.34Å; D218-T221 PolarHBondContact OD2-OG1 3.23Å; D218-F222 WeakPolarHBondContact O-CB 3.44Å; D218-F222 PolarHBondContact O-N 3.11Å
219Q91.5Very high93.7Very high174 Ų17478.9 Ų78.981%0.81340%0.396SS*.Hα-helixtrans-61.1-38.7-175.8-72.5-177.6-10.800112.6F222 H223Q219-F222 PolarHBondContact O-N 3.2Å; Q219-H223 PolarHBondContact O-N 3.31Å
220D92.7Very high93.5Very high133 Ų13379.5 Ų79.571%0.71140%0.404SS*.Hα-helixtrans-65.4-47.5-178.9-63.6-28.2000110.6D218 F222 H223 V224D218-D220 VanDerWaalsContact C-N 3.31Å; D218-D220 PolarHBondContact O-N 2.97Å; D218-D220 PolarHBondContact OD1-N 2.85Å; D220-F222 VanDerWaalsContact C-N 3.34Å; D220-F222 PolarHBondContact O-N 3.32Å; D220-H223 WeakPolarHBondContact O-CB 3.5Å; D220-H223 PolarHBondContact O-N 2.72Å; D220-V224 PolarHBondContact O-N 3.47Å
221T92.4Very high93.5Very high41 Ų4179.1 Ų79.125%0.25240%0.4SS..Hα-helixtrans-65.5-37.9176.6-56.50000111.7L187 L217 D218 H223 V224L187-T221 HydrophobicContact CD2-CG2 3.47Å; L187-T221 VanDerWaalsContact CD2-CG2 3.47Å; L217-T221 HydrophobicContact CB-CG2 4.48Å; L217-T221 HydrophobicContact CD1-CG2 4.25Å; L217-T221 HydrophobicContact CD2-CG2 4.18Å; D218-T221 PolarHBondContact O-N 3.13Å; D218-T221 VanDerWaalsContact OD1-CB 3.3Å; D218-T221 WeakPolarHBondContact OD1-CB 3.32Å; D218-T221 PolarHBondContact OD1-N 2.84Å; D218-T221 PolarHBondContact OD1-OG1 3.13Å; D218-T221 WeakPolarHBondContact OD2-CB 3.34Å; D218-T221 PolarHBondContact OD2-OG1 3.23Å; T221-H223 VanDerWaalsContact C-N 3.32Å; T221-H223 PolarHBondContact O-N 3.15Å; T221-V224 PolarHBondContact O-N 3.4Å
222F92.5Very high93.3Very high82 Ų8273.4 Ų73.436%0.3638%0.382SS..Hα-helixtrans-65.5-35.1175.6-171.7-94.6000112.2D218 Q219 D220 V224 L225 L226D218-F222 WeakPolarHBondContact O-CB 3.44Å; D218-F222 PolarHBondContact O-N 3.11Å; Q219-F222 PolarHBondContact O-N 3.2Å; D220-F222 VanDerWaalsContact C-N 3.34Å; D220-F222 PolarHBondContact O-N 3.32Å; F222-V224 VanDerWaalsContact C-N 3.26Å; F222-V224 PolarHBondContact O-N 2.98Å; F222-L225 HydrophobicContact CD2-CD1 4.31Å; F222-L225 WeakPolarHBondContact O-CA 3.49Å; F222-L225 WeakPolarHBondContact O-CB 3.39Å; F222-L225 PolarHBondContact O-N 3.4Å; F222-L226 HydrophobicContact CD1-CD2 4.39Å; F222-L226 HydrophobicContact CE1-CD2 3.94Å; F222-L226 PolarHBondContact O-N 2.97Å
223H93.3Very high93.1Very high129 Ų12970.3 Ų70.360%0.59739%0.386SS*.Hα-helixtrans-59.4-37.8176.3-172.2-83.6000112Q219 D220 T221 L225 L226Q219-H223 PolarHBondContact O-N 3.31Å; D220-H223 WeakPolarHBondContact O-CB 3.5Å; D220-H223 PolarHBondContact O-N 2.72Å; T221-H223 VanDerWaalsContact C-N 3.32Å; T221-H223 PolarHBondContact O-N 3.15Å; H223-L225 PolarHBondContact O-N 3.05Å; H223-L226 HydrophobicContact CB-CD1 4.48Å; H223-L226 WeakPolarHBondContact O-CB 3.48Å; H223-L226 WeakPolarHBondContact O-CG 3.29Å; H223-L226 PolarHBondContact O-N 3.16Å; H223-L226 VanDerWaalsContact O-N 3.17Å
224V92.7Very high92.9Very high98 Ų9869.2 Ų69.259%0.59438%0.382SS*.Hα-helixtrans-63.3-24.7175.5-178.10000112.2D220 T221 F222D220-V224 PolarHBondContact O-N 3.47Å; T221-V224 PolarHBondContact O-N 3.4Å; F222-V224 VanDerWaalsContact C-N 3.26Å; F222-V224 PolarHBondContact O-N 2.98Å
225L93.7Very high92.6Very high0 Ų070.9 Ų70.90%040%0.4CS..Hα-helixtrans-83.8-12.2177.8-68.3171.1000114.2L187 Q191 F214 L217 F222 H223 P227 T228 M229L187-L225 HydrophobicContact CD1-CD1 4.18Å; L187-L225 HydrophobicContact CD1-CD2 4.13Å; L187-L225 HydrophobicContact CG-CD2 4.36Å; Q191-L225 HydrophobicContact CG-CD2 3.28Å; F214-L225 HydrophobicContact CB-CD1 3.9Å; F214-L225 HydrophobicContact CD1-CD1 3.85Å; F214-L225 HydrophobicContact CD2-CD1 4.25Å; F214-L225 HydrophobicContact CE1-CD1 4.46Å; F214-L225 HydrophobicContact CG-CD1 3.74Å; L217-L225 HydrophobicContact CD1-CD1 3.38Å; F222-L225 HydrophobicContact CD2-CD1 4.31Å; F222-L225 WeakPolarHBondContact O-CA 3.49Å; F222-L225 WeakPolarHBondContact O-CB 3.39Å; F222-L225 PolarHBondContact O-N 3.4Å; H223-L225 PolarHBondContact O-N 3.05Å; L225-P227 VanDerWaalsContact C-CD 3.48Å; L225-P227 VanDerWaalsContact C-N 3.35Å; L225-T228 CarbonylContact O-C 3.53Å; L225-T228 WeakPolarHBondContact O-CA 3.34Å; L225-T228 WeakPolarHBondContact O-CB 3.34Å; L225-T228 PolarHBondContact O-N 2.78Å; L225-M229 HydrophobicContact CB-CG 4.42Å; L225-M229 WeakPolarHBondContact O-CG 3.46Å; L225-M229 PolarHBondContact O-N 3.2Å
226L93.7Very high92.5Very high71 Ų7171.4 Ų71.437%0.37239%0.392SS..Hα-helixtrans-55-42.1-174.5-68.9173.6000113.6F222 H223 T228 M229 T230F222-L226 HydrophobicContact CD1-CD2 4.39Å; F222-L226 HydrophobicContact CE1-CD2 3.94Å; F222-L226 PolarHBondContact O-N 2.97Å; H223-L226 HydrophobicContact CB-CD1 4.48Å; H223-L226 WeakPolarHBondContact O-CB 3.48Å; H223-L226 WeakPolarHBondContact O-CG 3.29Å; H223-L226 PolarHBondContact O-N 3.16Å; H223-L226 VanDerWaalsContact O-N 3.17Å; L226-T228 VanDerWaalsContact C-N 3.29Å; L226-T228 PolarHBondContact O-N 2.88Å; L226-M229 PolarHBondContact O-N 3.4Å; L226-T230 PolarHBondContact O-N 2.85Å; L226-T230 PolarHBondContact O-OG1 3.18Å
227P93.9Very high92.3Very high61 Ų6169.5 Ų69.540%0.39639%0.391SS..Hα-helixtrans-59.1-41174.5-24.936.1000112.4L225 T230 L246L225-P227 VanDerWaalsContact C-CD 3.48Å; L225-P227 VanDerWaalsContact C-N 3.35Å; P227-T230 WeakPolarHBondContact O-CB 3.41Å; P227-T230 PolarHBondContact O-N 2.81Å; P227-L246 HydrophobicContact CB-CD1 3.89Å; P227-L246 WeakPolarHBondContact O-CD1 3.41Å
228T94.1Very high92.2Very high4 Ų467.8 Ų67.83%0.02538%0.383CS..Hα-helixtrans-66.6-43175.7-51.30000111.6Q191 F194 I195 L225 L226 T230 L231Q191-T228 HydrophobicContact CB-CG2 4.41Å; Q191-T228 HydrophobicContact CG-CG2 4.48Å; F194-T228 HydrophobicContact CD1-CG2 3.66Å; F194-T228 HydrophobicContact CE1-CG2 4.03Å; F194-T228 WeakPolarHBondContact CE1-O 3.5Å; I195-T228 HydrophobicContact CD1-CG2 4.13Å; I195-T228 HydrophobicContact CG1-CG2 3.92Å; L225-T228 CarbonylContact O-C 3.53Å; L225-T228 WeakPolarHBondContact O-CA 3.34Å; L225-T228 WeakPolarHBondContact O-CB 3.34Å; L225-T228 PolarHBondContact O-N 2.78Å; L226-T228 VanDerWaalsContact C-N 3.29Å; L226-T228 PolarHBondContact O-N 2.88Å; T228-T230 PolarHBondContact O-N 3.38Å; T228-L231 VanDerWaalsContact O-CB 3.25Å; T228-L231 WeakPolarHBondContact O-CB 2.81Å; T228-L231 VanDerWaalsContact O-CG 3.28Å; T228-L231 WeakPolarHBondContact O-CG 3.39Å; T228-L231 PolarHBondContact O-N 3.18Å
229M94.3Very high92Very high31 Ų3169.9 Ų69.915%0.15340%0.399CS..Hα-helixtrans-64.3-30177.2-65.6-60.1108.100112.2F194 A210 F214 L225 L226 L231 L232F194-M229 HydrophobicContact CD1-CE 4.02Å; F194-M229 HydrophobicContact CD2-CE 4.41Å; F194-M229 HydrophobicContact CE1-CE 3.76Å; F194-M229 HydrophobicContact CE2-CE 4.18Å; F194-M229 HydrophobicContact CG-CE 4.32Å; F194-M229 HydrophobicContact CZ-CE 3.82Å; F194-M229 HydrophobicContact CZ-SD 4.11Å; A210-M229 HydrophobicContact CB-SD 4.34Å; F214-M229 HydrophobicContact CD2-CE 3.47Å; F214-M229 VanDerWaalsContact CD2-CE 3.47Å; F214-M229 HydrophobicContact CD2-SD 4.3Å; F214-M229 HydrophobicContact CE2-CE 3.46Å; F214-M229 VanDerWaalsContact CE2-CE 3.46Å; L225-M229 HydrophobicContact CB-CG 4.42Å; L225-M229 WeakPolarHBondContact O-CG 3.46Å; L225-M229 PolarHBondContact O-N 3.2Å; L226-M229 PolarHBondContact O-N 3.4Å; M229-L231 PolarHBondContact O-N 3.28Å; M229-L232 WeakPolarHBondContact O-CB 3.4Å; M229-L232 WeakPolarHBondContact O-CG 3.46Å; M229-L232 PolarHBondContact O-N 3.35Å; M229-L232 VanDerWaalsContact O-N 3.15Å
230T94.1Very high91.9Very high49 Ų4965.6 Ų65.630%0.30138%0.381SS..Hα-helixtrans-64.9-20.9178.6-54.40000112.5L226 P227 T228 L232 A233 V234 Y243L226-T230 PolarHBondContact O-N 2.85Å; L226-T230 PolarHBondContact O-OG1 3.18Å; P227-T230 WeakPolarHBondContact O-CB 3.41Å; P227-T230 PolarHBondContact O-N 2.81Å; T228-T230 PolarHBondContact O-N 3.38Å; T230-L232 PolarHBondContact O-N 2.73Å; T230-L232 VanDerWaalsContact O-N 3.1Å; T230-A233 PolarHBondContact O-N 2.73Å; T230-V234 HydrophobicContact CG2-CG2 3.84Å; T230-V234 PolarHBondContact O-N 2.74Å; T230-Y243 HydrophobicContact CG2-CE1 3.8Å; T230-Y243 HydrophobicContact CG2-CE2 4.47Å; T230-Y243 WeakPolarHBondContact CG2-OH 3.49Å
231L94.5Very high91.6Very high6 Ų666.3 Ų66.33%0.03138%0.38CS..THydrogen-bonded Turntrans-63.1-14.1174.4-57.6-177000113.7I195 L198 T228 M229 A233 V234 Y243 L246 W247I195-L231 HydrophobicContact CD1-CD1 4.46Å; I195-L231 HydrophobicContact CG1-CD1 3.83Å; L198-L231 HydrophobicContact CD1-CB 3.72Å; T228-L231 VanDerWaalsContact O-CB 3.25Å; T228-L231 WeakPolarHBondContact O-CB 2.81Å; T228-L231 VanDerWaalsContact O-CG 3.28Å; T228-L231 WeakPolarHBondContact O-CG 3.39Å; T228-L231 PolarHBondContact O-N 3.18Å; M229-L231 PolarHBondContact O-N 3.28Å; L231-A233 PolarHBondContact O-N 3.23Å; L231-V234 CarbonylContact C-O 3.57Å; L231-V234 WeakPolarHBondContact CA-O 3.33Å; L231-Y243 HydrophobicContact CD2-CD1 4.01Å; L231-Y243 HydrophobicContact CD2-CG 4.4Å; L231-L246 HydrophobicContact CD1-CB 3.93Å; L231-L246 HydrophobicContact CD1-CD1 4.21Å; L231-L246 HydrophobicContact CD2-CB 4.32Å; L231-L246 HydrophobicContact CD2-CD1 4.12Å; L231-L246 HydrophobicContact CG-CD1 4.24Å; L231-W247 HydrophobicContact CB-CH2 4.2Å; L231-W247 HydrophobicContact CB-CZ2 3.73Å; L231-W247 HydrophobicContact CD1-CD2 4.46Å; L231-W247 HydrophobicContact CD1-CH2 4.31Å; L231-W247 HydrophobicContact CD1-CZ2 4.07Å; L231-W247 HydrophobicContact CD2-CZ2 3.98Å; L231-W247 HydrophobicContact CG-CZ2 4.13Å
232L93Very high91.3Very high57 Ų5770.4 Ų70.430%0.29840%0.397SS..THydrogen-bonded Turntrans-63.4-32168.8-74.4164.5000112.5F194 L198 I207 M229 T230F194-L232 HydrophobicContact CZ-CD1 4.15Å; F194-L232 HydrophobicContact CZ-CD2 4.23Å; F194-L232 HydrophobicContact CZ-CG 3.94Å; L198-L232 HydrophobicContact CD1-CD2 4.43Å; L198-L232 HydrophobicContact CD1-CG 4.46Å; L198-L232 HydrophobicContact CD2-CD2 3.62Å; L198-L232 HydrophobicContact CD2-CG 4.48Å; I207-L232 HydrophobicContact CD1-CD2 4.35Å; I207-L232 HydrophobicContact CG1-CD2 3.88Å; M229-L232 WeakPolarHBondContact O-CB 3.4Å; M229-L232 WeakPolarHBondContact O-CG 3.46Å; M229-L232 PolarHBondContact O-N 3.35Å; M229-L232 VanDerWaalsContact O-N 3.15Å; T230-L232 PolarHBondContact O-N 2.73Å; T230-L232 VanDerWaalsContact O-N 3.1Å
233A91.4Very high91.3Very high90 Ų9068.1 Ų68.174%0.74439%0.386SS*.THydrogen-bonded Turntrans-99.4-31.5178.100000112T230 L231T230-A233 PolarHBondContact O-N 2.73Å; L231-A233 PolarHBondContact O-N 3.23Å
234V91.2Very high91.2Very high25 Ų2566.4 Ų66.415%0.15238%0.378CS..SBendtrans-98.8107.8-177.51800000109.9T230 L231 T238 Y243 W247T230-V234 HydrophobicContact CG2-CG2 3.84Å; T230-V234 PolarHBondContact O-N 2.74Å; L231-V234 CarbonylContact C-O 3.57Å; L231-V234 WeakPolarHBondContact CA-O 3.33Å; V234-T238 HydrophobicContact CG1-CG2 3.78Å; V234-T238 VanDerWaalsContact CG1-OG1 3.28Å; V234-T238 WeakPolarHBondContact CG1-OG1 3.5Å; V234-Y243 HydrophobicContact CB-CD2 4.49Å; V234-Y243 HydrophobicContact CG1-CD2 3.9Å; V234-Y243 HydrophobicContact CG1-CG 4.02Å; V234-Y243 HydrophobicContact CG2-CD2 4.2Å; V234-Y243 HydrophobicContact CG2-CE2 4.15Å; V234-W247 WeakPolarHBondContact O-CZ2 3.22Å
235G88.9Confident91.2Very high38 Ų3866.5 Ų66.539%0.39238%0.375SS..  trans-67.9175.317800000114.2D237 T238 W247G235-D237 PolarHBondContact O-N 2.89Å; G235-T238 WeakPolarHBondContact O-CB 3.46Å; G235-T238 WeakPolarHBondContact O-CG2 3.2Å; G235-T238 PolarHBondContact O-N 3.15Å; G235-W247 PolarHBondContact O-NE1 3.4Å; G235-W247 VanDerWaalsContact O-NE1 3.12Å
236V88.5Confident91.2Very high69 Ų6967.5 Ų67.542%0.41838%0.38SS..THydrogen-bonded Turntrans-63.2-31.8179.2-174.40000111.6T238 W247V236-T238 PolarHBondContact O-N 3.06Å; V236-W247 HydrophobicContact CB-CD2 4.47Å; V236-W247 HydrophobicContact CG1-CG 4.49Å; V236-W247 HydrophobicContact CG2-CD2 4.03Å; V236-W247 HydrophobicContact CG2-CE3 3.95Å; V236-W247 HydrophobicContact CG2-CH2 4.02Å; V236-W247 HydrophobicContact CG2-CZ2 4.1Å; V236-W247 HydrophobicContact CG2-CZ3 3.95Å
237D87.4Confident91.2Very high160 Ų16065 Ų6586%0.85637%0.366SS*.THydrogen-bonded Turntrans-79.120-179.1-52.2-44.5000114.1G235G235-D237 PolarHBondContact O-N 2.89Å
238T89.7Confident91.2Very high21 Ų2163.9 Ų63.913%0.12936%0.36CS..  trans-67.3137.1-178.4-173.80000112.2V234 G235 V236 L240 Q244V234-T238 HydrophobicContact CG1-CG2 3.78Å; V234-T238 VanDerWaalsContact CG1-OG1 3.28Å; V234-T238 WeakPolarHBondContact CG1-OG1 3.5Å; G235-T238 WeakPolarHBondContact O-CB 3.46Å; G235-T238 WeakPolarHBondContact O-CG2 3.2Å; G235-T238 PolarHBondContact O-N 3.15Å; V236-T238 PolarHBondContact O-N 3.06Å; T238-L240 VanDerWaalsContact C-N 3.29Å; T238-L240 PolarHBondContact OG1-N 3.12Å; T238-Q244 HydrophobicContact CG2-CG 4.12Å; T238-Q244 WeakPolarHBondContact O-CG 3.45Å; T238-Q244 PolarHBondContact O-NE2 3.08Å
239T87.9Confident91.1Very high128 Ų12866.7 Ų66.779%0.78538%0.383SS*.  trans-86.4-2.3173.458.80000112.8E241T239-E241 PolarHBondContact O-N 2.98Å
240L89.9Confident91.2Very high85 Ų8568.1 Ų68.145%0.44540%0.396SS..  trans-86.7111.4-176.7-63.2173.3000110.2T238 Q242 Y243 Q244T238-L240 VanDerWaalsContact C-N 3.29Å; T238-L240 PolarHBondContact OG1-N 3.12Å; L240-Q242 VanDerWaalsContact C-N 3.26Å; L240-Q242 PolarHBondContact O-N 3.14Å; L240-Q242 VanDerWaalsContact O-N 3.14Å; L240-Y243 HydrophobicContact CB-CD2 3.73Å; L240-Y243 HydrophobicContact CB-CE2 4.4Å; L240-Y243 HydrophobicContact CD1-CD2 3.74Å; L240-Y243 HydrophobicContact CD1-CE2 3.74Å; L240-Y243 HydrophobicContact CG-CD2 4.4Å; L240-Y243 PolarHBondContact O-N 3.21Å; L240-Q244 PolarHBondContact O-N 3.24Å; L240-Q244 VanDerWaalsContact O-N 3.1Å
241E87.5Confident91.3Very high148 Ų14867.8 Ų67.869%0.69239%0.39SS*.Hα-helixtrans-49.6-42.4-175.9-171.4-179.9176.900113.5T239 Y243 Q244 N245T239-E241 PolarHBondContact O-N 2.98Å; E241-Y243 PolarHBondContact O-N 3.45Å; E241-Q244 PolarHBondContact O-N 2.95Å; E241-N245 PolarHBondContact O-N 3.46Å
242Q86.1Confident91.5Very high126 Ų12667.9 Ų67.959%0.58939%0.39SS*.Hα-helixtrans-59.3-31.1179.867.3-175.91.600113.9L240L240-Q242 VanDerWaalsContact C-N 3.26Å; L240-Q242 PolarHBondContact O-N 3.14Å; L240-Q242 VanDerWaalsContact O-N 3.14Å
243Y91.4Very high91.6Very high34 Ų3471.3 Ų71.313%0.13340%0.404CS..Hα-helixtrans-94.7-25.9179.1-59.4-61.5000112T230 L231 V234 L240 E241 N245 L246 W247T230-Y243 HydrophobicContact CG2-CE1 3.8Å; T230-Y243 HydrophobicContact CG2-CE2 4.47Å; T230-Y243 WeakPolarHBondContact CG2-OH 3.49Å; L231-Y243 HydrophobicContact CD2-CD1 4.01Å; L231-Y243 HydrophobicContact CD2-CG 4.4Å; V234-Y243 HydrophobicContact CB-CD2 4.49Å; V234-Y243 HydrophobicContact CG1-CD2 3.9Å; V234-Y243 HydrophobicContact CG1-CG 4.02Å; V234-Y243 HydrophobicContact CG2-CD2 4.2Å; V234-Y243 HydrophobicContact CG2-CE2 4.15Å; L240-Y243 HydrophobicContact CB-CD2 3.73Å; L240-Y243 HydrophobicContact CB-CE2 4.4Å; L240-Y243 HydrophobicContact CD1-CD2 3.74Å; L240-Y243 HydrophobicContact CD1-CE2 3.74Å; L240-Y243 HydrophobicContact CG-CD2 4.4Å; L240-Y243 PolarHBondContact O-N 3.21Å; E241-Y243 PolarHBondContact O-N 3.45Å; Y243-N245 VanDerWaalsContact C-N 3.26Å; Y243-N245 PolarHBondContact O-N 3.35Å; Y243-L246 HydrophobicContact CD1-CD1 4.15Å; Y243-L246 WeakPolarHBondContact O-CB 3.39Å; Y243-L246 PolarHBondContact O-N 2.83Å; Y243-W247 PolarHBondContact O-N 3.23Å; Y243-W247 VanDerWaalsContact O-N 3.17Å
244Q92Very high91.9Very high93 Ų9369.8 Ų69.844%0.43539%0.388SS..Hα-helixtrans-58.4-40.4172.3-71.2-177.9-12.900111.5T238 L240 E241 L246 W247 S248T238-Q244 HydrophobicContact CG2-CG 4.12Å; T238-Q244 WeakPolarHBondContact O-CG 3.45Å; T238-Q244 PolarHBondContact O-NE2 3.08Å; L240-Q244 PolarHBondContact O-N 3.24Å; L240-Q244 VanDerWaalsContact O-N 3.1Å; E241-Q244 PolarHBondContact O-N 2.95Å; Q244-L246 VanDerWaalsContact C-N 3.26Å; Q244-L246 PolarHBondContact O-N 2.96Å; Q244-W247 CarbonylContact O-C 3.07Å; Q244-W247 WeakPolarHBondContact O-CA 3.38Å; Q244-W247 PolarHBondContact O-N 3.38Å; Q244-S248 PolarHBondContact O-N 2.81Å
245N91.9Very high92.2Very high100 Ų10068.9 Ų68.954%0.53538%0.382SS..Hα-helixtrans-61.8-32.6175.4-71.7-27.3000113.1E241 Y243 W247 S248E241-N245 PolarHBondContact O-N 3.46Å; Y243-N245 VanDerWaalsContact C-N 3.26Å; Y243-N245 PolarHBondContact O-N 3.35Å; N245-W247 VanDerWaalsContact C-N 3.33Å; N245-S248 WeakPolarHBondContact O-CB 3.16Å; N245-S248 PolarHBondContact O-N 3.44Å
246L93.3Very high92.5Very high21 Ų2168.1 Ų68.111%0.1137%0.369CS..Hα-helixtrans-72.6-28.7175-63.2178.2000112.3P227 L231 Y243 Q244 R251P227-L246 HydrophobicContact CB-CD1 3.89Å; P227-L246 WeakPolarHBondContact O-CD1 3.41Å; L231-L246 HydrophobicContact CD1-CB 3.93Å; L231-L246 HydrophobicContact CD1-CD1 4.21Å; L231-L246 HydrophobicContact CD2-CB 4.32Å; L231-L246 HydrophobicContact CD2-CD1 4.12Å; L231-L246 HydrophobicContact CG-CD1 4.24Å; Y243-L246 HydrophobicContact CD1-CD1 4.15Å; Y243-L246 WeakPolarHBondContact O-CB 3.39Å; Y243-L246 PolarHBondContact O-N 2.83Å; Q244-L246 VanDerWaalsContact C-N 3.26Å; Q244-L246 PolarHBondContact O-N 2.96Å; L246-R251 WeakPolarHBondContact O-CD 3.48Å
247W94.2Very high92.8Very high20 Ų2068.4 Ų68.48%0.07637%0.368CS..Hα-helixtrans-86-5.3173.5-66.7123.6000114I195 L198 R199 L231 V234 G235 V236 Y243 Q244 N245I195-W247 HydrophobicContact CG2-CE3 3.7Å; I195-W247 HydrophobicContact CG2-CZ3 3.72Å; I195-W247 WeakPolarHBondContact O-CZ3 3.25Å; L198-W247 HydrophobicContact CB-CH2 3.67Å; L198-W247 HydrophobicContact CB-CZ3 4.24Å; L198-W247 HydrophobicContact CD1-CH2 4.42Å; R199-W247 HydrophobicContact CB-CZ3 4.04Å; R199-W247 PolarHBondContact NH2-O 2.93Å; L231-W247 HydrophobicContact CB-CH2 4.2Å; L231-W247 HydrophobicContact CB-CZ2 3.73Å; L231-W247 HydrophobicContact CD1-CD2 4.46Å; L231-W247 HydrophobicContact CD1-CH2 4.31Å; L231-W247 HydrophobicContact CD1-CZ2 4.07Å; L231-W247 HydrophobicContact CD2-CZ2 3.98Å; L231-W247 HydrophobicContact CG-CZ2 4.13Å; V234-W247 WeakPolarHBondContact O-CZ2 3.22Å; G235-W247 PolarHBondContact O-NE1 3.4Å; G235-W247 VanDerWaalsContact O-NE1 3.12Å; V236-W247 HydrophobicContact CB-CD2 4.47Å; V236-W247 HydrophobicContact CG1-CG 4.49Å; V236-W247 HydrophobicContact CG2-CD2 4.03Å; V236-W247 HydrophobicContact CG2-CE3 3.95Å; V236-W247 HydrophobicContact CG2-CH2 4.02Å; V236-W247 HydrophobicContact CG2-CZ2 4.1Å; V236-W247 HydrophobicContact CG2-CZ3 3.95Å; Y243-W247 PolarHBondContact O-N 3.23Å; Y243-W247 VanDerWaalsContact O-N 3.17Å; Q244-W247 CarbonylContact O-C 3.07Å; Q244-W247 WeakPolarHBondContact O-CA 3.38Å; Q244-W247 PolarHBondContact O-N 3.38Å; N245-W247 VanDerWaalsContact C-N 3.33Å
248S93.6Very high93.2Very high37 Ų3763.7 Ų63.726%0.25934%0.341SS..  trans-69.5141.4-175.6-178.90000112.6Q244 N245 S250 R251Q244-S248 PolarHBondContact O-N 2.81Å; N245-S248 WeakPolarHBondContact O-CB 3.16Å; N245-S248 PolarHBondContact O-N 3.44Å; S248-S250 WeakPolarHBondContact CB-OG 3.23Å; S248-S250 PolarHBondContact O-N 2.83Å; S248-S250 WeakPolarHBondContact OG-CB 3.23Å; S248-S250 PolarHBondContact OG-N 2.96Å; S248-S250 VanDerWaalsContact OG-N 3.11Å; S248-S250 PolarHBondContact OG-OG 3.41Å; S248-R251 WeakPolarHBondContact O-CB 3.05Å; S248-R251 WeakPolarHBondContact O-CG 3.34Å; S248-R251 PolarHBondContact O-N 3.37Å
249A93.8Very high93.6Very high63 Ų6362.7 Ų62.752%0.52134%0.335SS..THydrogen-bonded Turntrans-65.9-22.6170.300000112.7R251 W252A249-R251 PolarHBondContact O-N 3.37Å; A249-W252 PolarHBondContact O-N 3.14Å
250S95.6Very high93.8Very high61 Ų6159.7 Ų59.743%0.42731%0.309SS..Hα-helixtrans-61.6-14.5176.864.10000113.7S248 W252 E253 S254S248-S250 WeakPolarHBondContact CB-OG 3.23Å; S248-S250 PolarHBondContact O-N 2.83Å; S248-S250 WeakPolarHBondContact OG-CB 3.23Å; S248-S250 PolarHBondContact OG-N 2.96Å; S248-S250 VanDerWaalsContact OG-N 3.11Å; S248-S250 PolarHBondContact OG-OG 3.41Å; S250-W252 VanDerWaalsContact C-N 3.25Å; S250-W252 PolarHBondContact O-N 3.26Å; S250-E253 PolarHBondContact O-N 3.03Å; S250-S254 PolarHBondContact O-N 3.26Å; S250-S254 PolarHBondContact O-OG 3.43Å
251R96.2Very high94Very high42 Ų4257.9 Ų57.916%0.15830%0.303CS..Hα-helixtrans-61.1-33.4171.5-68.9-176.862.183.31112.6L246 S248 A249 S254 L255L246-R251 WeakPolarHBondContact O-CD 3.48Å; S248-R251 WeakPolarHBondContact O-CB 3.05Å; S248-R251 WeakPolarHBondContact O-CG 3.34Å; S248-R251 PolarHBondContact O-N 3.37Å; A249-R251 PolarHBondContact O-N 3.37Å; R251-S254 WeakPolarHBondContact O-CB 3.32Å; R251-S254 PolarHBondContact O-N 2.96Å; R251-L255 VanDerWaalsContact O-CG 3.3Å; R251-L255 WeakPolarHBondContact O-CG 3.38Å; R251-L255 PolarHBondContact O-N 3.43Å
252W97.7Very high94.3Very high8 Ų851.8 Ų51.83%0.0328%0.275CS..Hα-helixtrans-65.5-45.2177.2-70.7106.5000111.7L159 H162 T164 Q192 E196 A249 S250 S254 L255 I256L159-W252 HydrophobicContact CD2-CE3 4.4Å; L159-W252 HydrophobicContact CD2-CZ3 4.07Å; H162-W252 VanDerWaalsContact CA-CH2 3.43Å; H162-W252 HydrophobicContact CB-CD2 4.29Å; H162-W252 HydrophobicContact CB-CH2 3.93Å; H162-W252 HydrophobicContact CB-CZ2 3.55Å; H162-W252 HydrophobicContact CB-CZ3 4.43Å; H162-W252 AromaticContact CD2-CD1 3.32Å; H162-W252 AromaticContact CD2-CD2 3.38Å; H162-W252 AromaticContact CD2-CE2 3.46Å; H162-W252 VanDerWaalsContact CD2-CE2 3.46Å; H162-W252 AromaticContact CD2-CG 3.3Å; H162-W252 AromaticContact CD2-NE1 3.42Å; H162-W252 PolarHBondContact CD2-NE1 2.8Å; H162-W252 AromaticContact CE1-CD1 3.98Å; H162-W252 AromaticContact CG-CE2 3.63Å; H162-W252 AromaticContact CG-CZ2 3.98Å; H162-W252 AromaticContact CG-NE1 3.66Å; H162-W252 AromaticContact NE2-CD1 3.29Å; H162-W252 VanDerWaalsContact NE2-CD1 3.29Å; H162-W252 AromaticContact NE2-CG 3.59Å; H162-W252 AromaticContact NE2-NE1 3.71Å; H162-W252 VanDerWaalsContact O-CH2 3.26Å; H162-W252 WeakPolarHBondContact O-CH2 3.5Å; T164-W252 HydrophobicContact CG2-CH2 3.85Å; T164-W252 HydrophobicContact CG2-CZ3 3.92Å; Q192-W252 HydrophobicContact CG-CD2 4.42Å; Q192-W252 HydrophobicContact CG-CE3 4.49Å; Q192-W252 HydrophobicContact CG-CH2 3.87Å; Q192-W252 HydrophobicContact CG-CZ2 3.79Å; Q192-W252 HydrophobicContact CG-CZ3 4.23Å; E196-W252 HydrophobicContact CG-CZ2 3.79Å; E196-W252 PolarHBondContact OE1-NE1 3Å; A249-W252 PolarHBondContact O-N 3.14Å; S250-W252 VanDerWaalsContact C-N 3.25Å; S250-W252 PolarHBondContact O-N 3.26Å; W252-S254 VanDerWaalsContact C-N 3.3Å; W252-S254 PolarHBondContact O-N 2.84Å; W252-L255 HydrophobicContact CE3-CD1 4.34Å; W252-L255 PolarHBondContact O-N 2.92Å; W252-I256 VanDerWaalsContact O-CG1 3.32Å; W252-I256 WeakPolarHBondContact O-CG1 3.14Å; W252-I256 PolarHBondContact O-N 2.86Å
253E96.2Very high94.7Very high129 Ų12946 Ų4660%0.60325%0.248SC*.Hα-helixtrans-61.8-40.7173.5-173.7177.5-171.700111.6S250 L255 I256 N257S250-E253 PolarHBondContact O-N 3.03Å; E253-L255 PolarHBondContact O-N 3.25Å; E253-I256 PolarHBondContact O-N 3.45Å; E253-N257 PolarHBondContact O-N 2.87Å; E253-N257 PolarHBondContact O-ND2 3Å
254S96.4Very high94.8Very high58 Ų5845.4 Ų45.441%0.40625%0.246SC..Hα-helixtrans-60.4-44.5174.8-56.40000111.5S250 R251 W252 I256 N257 E258S250-S254 PolarHBondContact O-N 3.26Å; S250-S254 PolarHBondContact O-OG 3.43Å; R251-S254 WeakPolarHBondContact O-CB 3.32Å; R251-S254 PolarHBondContact O-N 2.96Å; W252-S254 VanDerWaalsContact C-N 3.3Å; W252-S254 PolarHBondContact O-N 2.84Å; S254-I256 VanDerWaalsContact C-N 3.35Å; S254-I256 PolarHBondContact O-N 3.34Å; S254-N257 PolarHBondContact O-N 3.3Å; S254-E258 WeakPolarHBondContact O-CB 3.2Å; S254-E258 VanDerWaalsContact O-CG 3.31Å; S254-E258 WeakPolarHBondContact O-CG 3.49Å; S254-E258 PolarHBondContact O-N 2.98Å
255L97.6Very high94.8Very high5 Ų545.8 Ų45.83%0.02624%0.243CC..Hα-helixtrans-63.6-37.9176.4-73.8171000112.5F185 K188 V189 Q192 R251 W252 E253 F259F185-L255 HydrophobicContact CE2-CD2 4.28Å; K188-L255 HydrophobicContact CB-CD2 4.04Å; V189-L255 HydrophobicContact CG2-CD2 4.29Å; Q192-L255 HydrophobicContact CB-CD1 3.71Å; Q192-L255 HydrophobicContact CG-CD1 3.7Å; R251-L255 VanDerWaalsContact O-CG 3.3Å; R251-L255 WeakPolarHBondContact O-CG 3.38Å; R251-L255 PolarHBondContact O-N 3.43Å; W252-L255 HydrophobicContact CE3-CD1 4.34Å; W252-L255 PolarHBondContact O-N 2.92Å; E253-L255 PolarHBondContact O-N 3.25Å; L255-F259 VanDerWaalsContact O-CB 3.24Å; L255-F259 WeakPolarHBondContact O-CB 3.25Å; L255-F259 PolarHBondContact O-N 3.17Å
256I96.3Very high94.8Very high22 Ų2241.2 Ų41.211%0.11322%0.219CC..Hα-helixtrans-64.2-44.5175.4-68163.9000110.3E156 L159 A160 W252 E253 S254 F259 R260E156-I256 HydrophobicContact CG-CG2 4.3Å; L159-I256 HydrophobicContact CB-CD1 4.28Å; L159-I256 HydrophobicContact CB-CG1 3.68Å; L159-I256 HydrophobicContact CD1-CG1 4.17Å; A160-I256 HydrophobicContact CB-CD1 4.02Å; W252-I256 VanDerWaalsContact O-CG1 3.32Å; W252-I256 WeakPolarHBondContact O-CG1 3.14Å; W252-I256 PolarHBondContact O-N 2.86Å; E253-I256 PolarHBondContact O-N 3.45Å; S254-I256 VanDerWaalsContact C-N 3.35Å; S254-I256 PolarHBondContact O-N 3.34Å; I256-F259 WeakPolarHBondContact O-CB 3.33Å; I256-F259 PolarHBondContact O-N 3.06Å; I256-R260 WeakPolarHBondContact O-CG 3.24Å; I256-R260 PolarHBondContact O-N 3.32Å
257N94.7Very high94.7Very high76 Ų7640.6 Ų40.641%0.40622%0.215SC..Hα-helixtrans-67.7-40.1178.5-70.5-29.8000112.3E253 S254 R260 S261E253-N257 PolarHBondContact O-N 2.87Å; E253-N257 PolarHBondContact O-ND2 3Å; S254-N257 PolarHBondContact O-N 3.3Å; N257-R260 WeakPolarHBondContact O-CB 3.31Å; N257-R260 PolarHBondContact O-N 2.96Å; N257-R260 PolarHBondContact OD1-NH1 3.47Å; N257-S261 PolarHBondContact O-N 3.23Å; N257-S261 VanDerWaalsContact O-N 3.07Å
258E96.1Very high94.4Very high61 Ų6143.7 Ų43.729%0.28523%0.233SC..Hα-helixtrans-64.7-41.3173.2-73.5-166.6-139.400112.1F185 K188 S254 R260 S261 E262F185-E258 HydrophobicContact CD2-CB 3.87Å; F185-E258 HydrophobicContact CE2-CB 3.8Å; K188-E258 WeakPolarHBondContact CD-OE2 3.02Å; K188-E258 WeakPolarHBondContact CE-OE2 3.47Å; K188-E258 IonicContact NZ-OE1 2.97Å; K188-E258 PolarHBondContact NZ-OE1 2.97Å; K188-E258 IonicContact NZ-OE2 3.73Å; K188-E258 PolarHBondContact NZ-OE2 3.18Å; S254-E258 WeakPolarHBondContact O-CB 3.2Å; S254-E258 VanDerWaalsContact O-CG 3.31Å; S254-E258 WeakPolarHBondContact O-CG 3.49Å; S254-E258 PolarHBondContact O-N 2.98Å; E258-R260 VanDerWaalsContact C-N 3.33Å; E258-R260 PolarHBondContact O-N 3.43Å; E258-S261 PolarHBondContact O-N 2.94Å; E258-E262 WeakPolarHBondContact O-CB 3.48Å; E258-E262 WeakPolarHBondContact O-CG 3.44Å; E258-E262 PolarHBondContact O-N 3.46Å
259F96.4Very high94.2Very high0 Ų042.5 Ų42.50%022%0.223CC..Hα-helixtrans-56.9-47.2173.5169.9-107000111A152 V155 E156 L159 W170 F185 L255 I256 S261 E262 N263A152-F259 HydrophobicContact CB-CE1 4.03Å; A152-F259 HydrophobicContact CB-CZ 4.15Å; V155-F259 HydrophobicContact CB-CE1 3.89Å; V155-F259 HydrophobicContact CB-CE2 3.97Å; V155-F259 HydrophobicContact CB-CZ 3.55Å; V155-F259 HydrophobicContact CG1-CD1 4.22Å; V155-F259 HydrophobicContact CG1-CD2 3.81Å; V155-F259 HydrophobicContact CG1-CE1 3.96Å; V155-F259 HydrophobicContact CG1-CE2 3.53Å; V155-F259 HydrophobicContact CG1-CG 4.15Å; V155-F259 HydrophobicContact CG1-CZ 3.61Å; V155-F259 HydrophobicContact CG2-CE2 4.31Å; V155-F259 HydrophobicContact CG2-CZ 4.02Å; E156-F259 HydrophobicContact CG-CD1 3.74Å; E156-F259 HydrophobicContact CG-CE1 3.77Å; L159-F259 HydrophobicContact CD1-CB 4.19Å; W170-F259 HydrophobicContact CD2-CD2 4.46Å; W170-F259 AromaticContact CD2-CE2 3.74Å; W170-F259 HydrophobicContact CD2-CE2 3.74Å; W170-F259 AromaticContact CE2-CE2 3.73Å; W170-F259 HydrophobicContact CE3-CD2 4.37Å; W170-F259 HydrophobicContact CE3-CE2 4.09Å; W170-F259 HydrophobicContact CG-CE2 4.08Å; W170-F259 HydrophobicContact CH2-CE2 4.43Å; W170-F259 HydrophobicContact CZ2-CE2 4.1Å; W170-F259 HydrophobicContact CZ3-CD2 4.45Å; W170-F259 HydrophobicContact CZ3-CE2 4.43Å; W170-F259 AromaticContact NE1-CE2 4Å; F185-F259 HydrophobicContact CE1-CB 4.18Å; F185-F259 AromaticContact CE1-CD2 3.98Å; F185-F259 HydrophobicContact CE1-CD2 3.98Å; F185-F259 HydrophobicContact CE2-CB 4.12Å; F185-F259 HydrophobicContact CZ-CB 3.54Å; F185-F259 HydrophobicContact CZ-CD2 4.18Å; F185-F259 HydrophobicContact CZ-CG 4.35Å; L255-F259 VanDerWaalsContact O-CB 3.24Å; L255-F259 WeakPolarHBondContact O-CB 3.25Å; L255-F259 PolarHBondContact O-N 3.17Å; I256-F259 WeakPolarHBondContact O-CB 3.33Å; I256-F259 PolarHBondContact O-N 3.06Å; F259-S261 VanDerWaalsContact C-N 3.34Å; F259-S261 PolarHBondContact O-N 3.34Å; F259-E262 PolarHBondContact O-N 3.43Å; F259-N263 HydrophobicContact CE2-CB 4.4Å; F259-N263 HydrophobicContact CZ-CB 4.26Å; F259-N263 WeakPolarHBondContact O-CB 3.38Å; F259-N263 PolarHBondContact O-N 3.34Å
260R93.7Very high93.9Very high64 Ų6442.8 Ų42.824%0.24222%0.222CC..Hα-helixtrans-57-48.2177.2-75.5171.2-178.6156.4-0.2111.6E156 I256 N257 E258 N263 Y264E156-R260 VanDerWaalsContact CD-NE 3.32Å; E156-R260 WeakPolarHBondContact OE1-CG 3.25Å; E156-R260 IonicContact OE1-CZ 3.55Å; E156-R260 IonicContact OE1-NE 3.89Å; E156-R260 PolarHBondContact OE1-NE 2.96Å; E156-R260 IonicContact OE1-NH2 2.73Å; E156-R260 IonicContact OE2-CZ 3.66Å; E156-R260 IonicContact OE2-NE 3.54Å; E156-R260 PolarHBondContact OE2-NE 2.98Å; E156-R260 IonicContact OE2-NH2 2.73Å; E156-R260 PolarHBondContact OE2-NH2 3.12Å; I256-R260 WeakPolarHBondContact O-CG 3.24Å; I256-R260 PolarHBondContact O-N 3.32Å; N257-R260 WeakPolarHBondContact O-CB 3.31Å; N257-R260 PolarHBondContact O-N 2.96Å; N257-R260 PolarHBondContact OD1-NH1 3.47Å; E258-R260 VanDerWaalsContact C-N 3.33Å; E258-R260 PolarHBondContact O-N 3.43Å; R260-N263 PolarHBondContact O-N 3.46Å; R260-Y264 HydrophobicContact CB-CE2 4.35Å; R260-Y264 WeakPolarHBondContact O-CD2 3.35Å; R260-Y264 PolarHBondContact O-N 3.41Å
261S93.1Very high93.4Very high47 Ų4746.5 Ų46.533%0.32923%0.233SC..Hα-helixtrans-60.1-48.3177.8-174.70000111.8N257 E258 F259 N263 Y264 R265N257-S261 PolarHBondContact O-N 3.23Å; N257-S261 VanDerWaalsContact O-N 3.07Å; E258-S261 PolarHBondContact O-N 2.94Å; F259-S261 VanDerWaalsContact C-N 3.34Å; F259-S261 PolarHBondContact O-N 3.34Å; S261-N263 VanDerWaalsContact C-N 3.34Å; S261-N263 PolarHBondContact O-N 3.37Å; S261-Y264 PolarHBondContact O-N 2.91Å; S261-R265 WeakPolarHBondContact O-CG 3.34Å; S261-R265 PolarHBondContact O-N 2.88Å
262E95.2Very high93Very high21 Ų2152 Ų5210%0.09825%0.254CS..Hα-helixtrans-65.5-36.7178.5-70.9-65.5131.600112.6W170 S183 F185 E258 F259 R265 L266W170-E262 HydrophobicContact CH2-CB 4.14Å; S183-E262 WeakPolarHBondContact CB-OE2 3.42Å; S183-E262 PolarHBondContact OG-OE2 3.38Å; F185-E262 HydrophobicContact CB-CG 3.79Å; F185-E262 HydrophobicContact CD2-CG 4.35Å; F185-E262 HydrophobicContact CG-CB 4.5Å; F185-E262 HydrophobicContact CG-CG 3.97Å; E258-E262 WeakPolarHBondContact O-CB 3.48Å; E258-E262 WeakPolarHBondContact O-CG 3.44Å; E258-E262 PolarHBondContact O-N 3.46Å; F259-E262 PolarHBondContact O-N 3.43Å; E262-R265 PolarHBondContact O-N 3.38Å; E262-R265 IonicContact OE1-CZ 2.67Å; E262-R265 IonicContact OE1-NH1 3.98Å; E262-R265 PolarHBondContact OE1-NH1 2.87Å; E262-R265 IonicContact OE2-NH1 3.75Å; E262-L266 WeakPolarHBondContact O-CB 3.4Å; E262-L266 PolarHBondContact O-N 2.82Å
263N93.8Very high92.7Very high4 Ų451.9 Ų51.92%0.02126%0.255CS..Hα-helixtrans-63.4-45.3173.8-176.364.6000110.7H148 W170 F259 R260 S261 R265 L266 Y267H148-N263 PolarHBondContact CE1-ND2 3.35Å; H148-N263 VanDerWaalsContact CE1-ND2 3.34Å; H148-N263 PolarHBondContact CE1-OD1 3.28Å; H148-N263 PolarHBondContact NE2-ND2 3.42Å; H148-N263 VanDerWaalsContact NE2-ND2 3.15Å; W170-N263 HydrophobicContact CZ2-CB 4.26Å; F259-N263 HydrophobicContact CE2-CB 4.4Å; F259-N263 HydrophobicContact CZ-CB 4.26Å; F259-N263 WeakPolarHBondContact O-CB 3.38Å; F259-N263 PolarHBondContact O-N 3.34Å; R260-N263 PolarHBondContact O-N 3.46Å; S261-N263 VanDerWaalsContact C-N 3.34Å; S261-N263 PolarHBondContact O-N 3.37Å; N263-R265 PolarHBondContact O-N 3.41Å; N263-L266 WeakPolarHBondContact O-CB 3.46Å; N263-L266 PolarHBondContact O-N 3.46Å; N263-Y267 WeakPolarHBondContact O-CD2 3.48Å; N263-Y267 PolarHBondContact O-N 3.06Å; N263-Y267 VanDerWaalsContact O-N 3.11Å; N263-Y267 WeakPolarHBondContact OD1-CE2 3.39Å
264Y92.5Very high92.5Very high22 Ų2246.3 Ų46.39%0.08623%0.23CC..Hα-helixtrans-62.9-42.8175.4-60-23.1000112.2R124 F149 R260 S261 L266 Y267 N268 M269R124-Y264 HydrophobicContact CG-CE1 4.44Å; F149-Y264 HydrophobicContact CE1-CE1 4.04Å; F149-Y264 HydrophobicContact CZ-CE1 4.41Å; R260-Y264 HydrophobicContact CB-CE2 4.35Å; R260-Y264 WeakPolarHBondContact O-CD2 3.35Å; R260-Y264 PolarHBondContact O-N 3.41Å; S261-Y264 PolarHBondContact O-N 2.91Å; Y264-L266 VanDerWaalsContact C-N 3.29Å; Y264-L266 PolarHBondContact O-N 2.96Å; Y264-Y267 CarbonylContact O-C 3.59Å; Y264-Y267 PolarHBondContact O-N 3.47Å; Y264-N268 PolarHBondContact O-N 2.78Å; Y264-M269 HydrophobicContact CD1-CB 4.45Å; Y264-M269 HydrophobicContact CG-CB 4.46Å; Y264-M269 PolarHBondContact O-N 3.04Å
265R93Very high92.4Very high101 Ų10145.9 Ų45.938%0.38122%0.221SC..Hα-helixtrans-59.9-39.4173.7-69.4177.270.9-154.8-0.6111.9L181 S261 E262 N263 Y267 N268L181-R265 HydrophobicContact CD1-CB 4.33Å; L181-R265 PolarHBondContact O-NH2 3.47Å; S261-R265 WeakPolarHBondContact O-CG 3.34Å; S261-R265 PolarHBondContact O-N 2.88Å; E262-R265 PolarHBondContact O-N 3.38Å; E262-R265 IonicContact OE1-CZ 2.67Å; E262-R265 IonicContact OE1-NH1 3.98Å; E262-R265 PolarHBondContact OE1-NH1 2.87Å; E262-R265 IonicContact OE2-NH1 3.75Å; N263-R265 PolarHBondContact O-N 3.41Å; R265-Y267 VanDerWaalsContact C-N 3.31Å; R265-Y267 PolarHBondContact O-N 3.12Å; R265-N268 PolarHBondContact O-N 3.45Å
266L91.9Very high92.2Very high3 Ų347 Ų472%0.01623%0.229CC..Hα-helixtrans-62.2-39.1177.6-171.276.6000111.4W170 N174 K177 L178 E262 N263 Y264W170-L266 HydrophobicContact CH2-CD2 4.47Å; W170-L266 HydrophobicContact CZ2-CB 4.4Å; W170-L266 HydrophobicContact CZ2-CD2 3.62Å; N174-L266 HydrophobicContact CB-CD1 3.99Å; N174-L266 HydrophobicContact CB-CD2 3.95Å; N174-L266 VanDerWaalsContact CG-CD2 3.49Å; K177-L266 HydrophobicContact CB-CD1 3.84Å; K177-L266 HydrophobicContact CD-CD1 3.59Å; K177-L266 HydrophobicContact CD-CG 4.37Å; K177-L266 WeakPolarHBondContact CE-O 3.28Å; K177-L266 HydrophobicContact CG-CD1 3.71Å; K177-L266 PolarHBondContact NZ-O 3.07Å; L178-L266 HydrophobicContact CD2-CD1 4.49Å; E262-L266 WeakPolarHBondContact O-CB 3.4Å; E262-L266 PolarHBondContact O-N 2.82Å; N263-L266 WeakPolarHBondContact O-CB 3.46Å; N263-L266 PolarHBondContact O-N 3.46Å; Y264-L266 VanDerWaalsContact C-N 3.29Å; Y264-L266 PolarHBondContact O-N 2.96Å
267Y90.5Very high92Very high9 Ų947.6 Ų47.64%0.03524%0.237CC..THydrogen-bonded Turntrans-96.411.2-178.1-72.6-85.2000114.5A14 E17 E18 H148 N263 Y264 R265 M269A14-Y267 HydrophobicContact CB-CD1 4.22Å; E17-Y267 HydrophobicContact CB-CD1 3.95Å; E17-Y267 HydrophobicContact CB-CE1 4.4Å; E17-Y267 HydrophobicContact CG-CD1 4.16Å; E17-Y267 HydrophobicContact CG-CE1 4.43Å; E18-Y267 HydrophobicContact CG-CE1 4.12Å; E18-Y267 WeakPolarHBondContact OE1-CE1 3.41Å; E18-Y267 VanDerWaalsContact OE1-CZ 3.31Å; E18-Y267 PolarHBondContact OE1-OH 3.37Å; H148-Y267 AromaticContact CE1-CD2 3.09Å; H148-Y267 WeakPolarHBondContact CE1-CD2 3.34Å; H148-Y267 AromaticContact CE1-CE2 2.97Å; H148-Y267 WeakPolarHBondContact CE1-CE2 3.2Å; H148-Y267 AromaticContact CE1-CG 3.71Å; H148-Y267 AromaticContact CE1-CZ 3.47Å; H148-Y267 VanDerWaalsContact CE1-CZ 3.47Å; H148-Y267 AromaticContact ND1-CD2 3.72Å; H148-Y267 AromaticContact ND1-CE1 3.67Å; H148-Y267 AromaticContact ND1-CE2 3.33Å; H148-Y267 VanDerWaalsContact ND1-CE2 3.33Å; H148-Y267 WeakPolarHBondContact ND1-CE2 3.23Å; H148-Y267 AromaticContact ND1-CZ 3.26Å; H148-Y267 VanDerWaalsContact ND1-CZ 3.26Å; H148-Y267 AromaticContact NE2-CD2 3.67Å; H148-Y267 AromaticContact NE2-CE2 3.99Å; N263-Y267 WeakPolarHBondContact O-CD2 3.48Å; N263-Y267 PolarHBondContact O-N 3.06Å; N263-Y267 VanDerWaalsContact O-N 3.11Å; N263-Y267 WeakPolarHBondContact OD1-CE2 3.39Å; Y264-Y267 CarbonylContact O-C 3.59Å; Y264-Y267 PolarHBondContact O-N 3.47Å; R265-Y267 VanDerWaalsContact C-N 3.31Å; R265-Y267 PolarHBondContact O-N 3.12Å; Y267-M269 PolarHBondContact O-N 3.18Å
268N88.6Confident91.8Very high84 Ų8446.4 Ų46.445%0.44923%0.234SC..THydrogen-bonded Turntrans53.236.8-175.2-51.8-60.6000112.7Y264 R265Y264-N268 PolarHBondContact O-N 2.78Å; R265-N268 PolarHBondContact O-N 3.45Å
269M88.9Confident91.7Very high12 Ų1247.2 Ų47.26%0.05924%0.237CC..  trans-91.6139.4174.3-63-1806300109A14 F149 Y264 Y267A14-M269 HydrophobicContact CB-SD 4.34Å; F149-M269 HydrophobicContact CE2-CE 3.91Å; F149-M269 HydrophobicContact CZ-CE 3.68Å; Y264-M269 HydrophobicContact CD1-CB 4.45Å; Y264-M269 HydrophobicContact CG-CB 4.46Å; Y264-M269 PolarHBondContact O-N 3.04Å; Y267-M269 PolarHBondContact O-N 3.18Å
270S87.4Confident91.5Very high70 Ų7051.2 Ų51.249%0.4926%0.256SS..  trans-62.6147.5170168.80000110.1R124 Y272R124-S270 PolarHBondContact NH1-O 3.43Å; S270-Y272 WeakPolarHBondContact CB-O 3.32Å; S270-Y272 PolarHBondContact OG-N 2.72Å; S270-Y272 PolarHBondContact OG-O 3.46Å
271E84.9Confident91.4Very high139 Ų13952.4 Ų52.465%0.6527%0.273SS*.SBendtrans-61-47.5170.6-177.2174.8-175.700110.6
272Y87.7Confident91.4Very high156 Ų15651.9 Ų51.961%0.61228%0.275SS*.SBendtrans-76.5136.3173.3-55-68.3000111.2S270S270-Y272 WeakPolarHBondContact CB-O 3.32Å; S270-Y272 PolarHBondContact OG-N 2.72Å; S270-Y272 PolarHBondContact OG-O 3.46Å
273S91.7Very high91.3Very high6 Ų651.2 Ų51.24%0.04227%0.272CS..  trans-74153.2177.877.10000111.7Y121 F275 S276 A277Y121-S273 VanDerWaalsContact CD2-OG 3.31Å; Y121-S273 WeakPolarHBondContact CD2-OG 3.42Å; S273-F275 PolarHBondContact O-N 3.33Å; S273-F275 PolarHBondContact OG-N 2.77Å; S273-S276 PolarHBondContact O-N 2.97Å; S273-S276 VanDerWaalsContact O-N 3.13Å; S273-S276 PolarHBondContact OG-N 3.36Å; S273-S276 PolarHBondContact OG-OG 3.03Å; S273-A277 PolarHBondContact O-N 2.99Å; S273-A277 VanDerWaalsContact O-N 3.11Å
274P92.6Very high91.2Very high13 Ų1352 Ų528%0.08428%0.277CS..Hα-helixtrans-56.9-31.6170.1-2434.7000112.5L7 I117 D120 C278L7-P274 HydrophobicContact CB-CB 4.43Å; L7-P274 HydrophobicContact CD2-CB 4.23Å; L7-P274 WeakPolarHBondContact O-CB 3.47Å; L7-P274 VanDerWaalsContact O-CG 3.22Å; L7-P274 WeakPolarHBondContact O-CG 3.34Å; I117-P274 HydrophobicContact CG1-CB 4.35Å; I117-P274 HydrophobicContact CG2-CB 4.33Å; D120-P274 WeakPolarHBondContact OD1-CD 3.42Å; P274-C278 WeakPolarHBondContact O-CB 3.35Å; P274-C278 PolarHBondContact O-N 3.16Å; P274-C278 PolarHBondContact O-SG 3.49Å
275F94.3Very high91.1Very high48 Ų4854.1 Ų54.121%0.21130%0.3CS..Hα-helixtrans-62.1-50.6174.4177.5-99.6000111.4I117 L118 Y121 S273 A277 C278 F279I117-F275 HydrophobicContact CG2-CB 3.63Å; I117-F275 HydrophobicContact CG2-CD2 4.26Å; I117-F275 HydrophobicContact CG2-CG 4.47Å; L118-F275 HydrophobicContact CD2-CD2 3.74Å; L118-F275 HydrophobicContact CD2-CE2 3.6Å; L118-F275 HydrophobicContact CD2-CZ 4.47Å; Y121-F275 AromaticContact CD1-CD1 3.8Å; Y121-F275 HydrophobicContact CD1-CD1 3.8Å; Y121-F275 HydrophobicContact CD1-CE1 4.16Å; Y121-F275 HydrophobicContact CD1-CG 4.23Å; Y121-F275 HydrophobicContact CD2-CB 3.99Å; Y121-F275 AromaticContact CD2-CD1 3.72Å; Y121-F275 HydrophobicContact CD2-CD1 3.72Å; Y121-F275 HydrophobicContact CD2-CG 4.18Å; Y121-F275 AromaticContact CE1-CD1 3.93Å; Y121-F275 HydrophobicContact CE1-CD1 3.93Å; Y121-F275 AromaticContact CE1-CE1 3.98Å; Y121-F275 HydrophobicContact CE1-CE1 3.98Å; Y121-F275 AromaticContact CE2-CD1 3.84Å; Y121-F275 HydrophobicContact CE2-CD1 3.84Å; Y121-F275 HydrophobicContact CE2-CE1 4.48Å; Y121-F275 HydrophobicContact CG-CB 3.88Å; Y121-F275 AromaticContact CG-CD1 3.68Å; Y121-F275 HydrophobicContact CG-CD1 3.68Å; Y121-F275 HydrophobicContact CG-CE1 4.49Å; Y121-F275 AromaticContact CG-CG 3.9Å; Y121-F275 HydrophobicContact CG-CG 3.9Å; Y121-F275 AromaticContact CZ-CD1 3.94Å; S273-F275 PolarHBondContact O-N 3.33Å; S273-F275 PolarHBondContact OG-N 2.77Å; F275-A277 VanDerWaalsContact C-N 3.31Å; F275-A277 PolarHBondContact O-N 3.42Å; F275-C278 PolarHBondContact O-N 2.89Å; F275-F279 HydrophobicContact CZ-CD2 4.31Å; F275-F279 VanDerWaalsContact O-CB 3.24Å; F275-F279 WeakPolarHBondContact O-CB 3.17Å; F275-F279 PolarHBondContact O-N 3.38Å
276S92.7Very high90.9Very high30 Ų3053.2 Ų53.221%0.2130%0.302CS..Hα-helixtrans-58.4-43.7178.6-53.60000111.3S273 F279 Q280S273-S276 PolarHBondContact O-N 2.97Å; S273-S276 VanDerWaalsContact O-N 3.13Å; S273-S276 PolarHBondContact OG-N 3.36Å; S273-S276 PolarHBondContact OG-OG 3.03Å; S276-F279 PolarHBondContact O-N 2.88Å; S276-Q280 WeakPolarHBondContact O-CB 3.47Å; S276-Q280 VanDerWaalsContact O-CG 3.25Å; S276-Q280 WeakPolarHBondContact O-CG 3.48Å; S276-Q280 PolarHBondContact O-N 3.13Å
277A91.5Very high90.7Very high34 Ų3453.8 Ų53.828%0.28130%0.304SS..Hα-helixtrans-62.7-48.8176.600000112L7 S273 F275 F279 C281L7-A277 HydrophobicContact CD2-CB 4.12Å; S273-A277 PolarHBondContact O-N 2.99Å; S273-A277 VanDerWaalsContact O-N 3.11Å; F275-A277 VanDerWaalsContact C-N 3.31Å; F275-A277 PolarHBondContact O-N 3.42Å; A277-F279 VanDerWaalsContact C-N 3.32Å; A277-F279 PolarHBondContact O-N 2.9Å; A277-C281 WeakPolarHBondContact O-CB 3.34Å; A277-C281 PolarHBondContact O-N 3.49Å; A277-C281 PolarHBondContact O-SG 2.96Å
278C92.2Very high90.5Very high50 Ų5056.1 Ų56.134%0.33832%0.319SS..Hα-helixtrans-60.3-42.7176.4-74.40000112.1L7 P274 F275 C281 G282L7-C278 WeakPolarHBondContact CD1-SG 3.29Å; P274-C278 WeakPolarHBondContact O-CB 3.35Å; P274-C278 PolarHBondContact O-N 3.16Å; P274-C278 PolarHBondContact O-SG 3.49Å; F275-C278 PolarHBondContact O-N 2.89Å; C278-C281 PolarHBondContact O-N 3.49Å; C278-G282 PolarHBondContact O-N 3.31Å
279F93Very high90.2Very high78 Ų7856.8 Ų56.834%0.34233%0.326SS..Hα-helixtrans-65.5-48.2-178.7-168-105.5000111.3F275 S276 A277 C281 G282 I283 V322 L325F275-F279 HydrophobicContact CZ-CD2 4.31Å; F275-F279 VanDerWaalsContact O-CB 3.24Å; F275-F279 WeakPolarHBondContact O-CB 3.17Å; F275-F279 PolarHBondContact O-N 3.38Å; S276-F279 PolarHBondContact O-N 2.88Å; A277-F279 VanDerWaalsContact C-N 3.32Å; A277-F279 PolarHBondContact O-N 2.9Å; F279-C281 PolarHBondContact O-N 3.01Å; F279-G282 WeakPolarHBondContact O-CA 3.5Å; F279-G282 PolarHBondContact O-N 3.08Å; F279-G282 VanDerWaalsContact O-N 3.16Å; F279-I283 HydrophobicContact CD1-CD1 3.81Å; F279-I283 HydrophobicContact CD1-CG1 4.46Å; F279-I283 HydrophobicContact CE1-CD1 3.58Å; F279-I283 HydrophobicContact CE1-CG1 4.31Å; F279-I283 HydrophobicContact CZ-CD1 4.32Å; F279-I283 WeakPolarHBondContact O-CG1 3.31Å; F279-I283 PolarHBondContact O-N 3.26Å; F279-V322 HydrophobicContact CZ-CG1 4.39Å; F279-V322 HydrophobicContact CZ-CG2 4.44Å; F279-L325 HydrophobicContact CD1-CD1 4.4Å; F279-L325 HydrophobicContact CE1-CB 4.39Å; F279-L325 HydrophobicContact CE1-CD1 3.58Å; F279-L325 HydrophobicContact CZ-CD1 4.36Å
280Q93.1Very high89.7Confident85 Ų8560.7 Ų60.740%0.39734%0.341SS..Hα-helixtrans-63.7-40.1176.3-71173.5-2.800112.6S276 G282 I283 S284 L329S276-Q280 WeakPolarHBondContact O-CB 3.47Å; S276-Q280 VanDerWaalsContact O-CG 3.25Å; S276-Q280 WeakPolarHBondContact O-CG 3.48Å; S276-Q280 PolarHBondContact O-N 3.13Å; Q280-G282 VanDerWaalsContact C-N 3.31Å; Q280-G282 PolarHBondContact O-N 2.65Å; Q280-I283 PolarHBondContact O-N 3.46Å; Q280-S284 WeakPolarHBondContact O-CB 3.26Å; Q280-S284 PolarHBondContact O-N 3.33Å; Q280-S284 PolarHBondContact O-OG 3.22Å; Q280-L329 HydrophobicContact CB-CD1 3.97Å; Q280-L329 HydrophobicContact CB-CD2 4.09Å; Q280-L329 HydrophobicContact CG-CD1 4.12Å; Q280-L329 HydrophobicContact CG-CD2 4.25Å
281C91.6Very high89.4Confident89 Ų8957.9 Ų57.960%0.60132%0.321SS*.Hα-helixtrans-61-42.5172.5-75.40000111.4A277 C278 F279 S284 A285A277-C281 WeakPolarHBondContact O-CB 3.34Å; A277-C281 PolarHBondContact O-N 3.49Å; A277-C281 PolarHBondContact O-SG 2.96Å; C278-C281 PolarHBondContact O-N 3.49Å; F279-C281 PolarHBondContact O-N 3.01Å; C281-S284 PolarHBondContact O-N 3.1Å; C281-A285 PolarHBondContact O-N 3.2Å
282G92Very high89Confident36 Ų3654.4 Ų54.437%0.37131%0.309SS..Hα-helixtrans-57.8-54174.800000111.5C278 F279 Q280 S284 A285 I286C278-G282 PolarHBondContact O-N 3.31Å; F279-G282 WeakPolarHBondContact O-CA 3.5Å; F279-G282 PolarHBondContact O-N 3.08Å; F279-G282 VanDerWaalsContact O-N 3.16Å; Q280-G282 VanDerWaalsContact C-N 3.31Å; Q280-G282 PolarHBondContact O-N 2.65Å; G282-S284 VanDerWaalsContact C-N 3.32Å; G282-S284 PolarHBondContact O-N 2.61Å; G282-A285 WeakPolarHBondContact O-CB 3.46Å; G282-A285 PolarHBondContact O-N 3.01Å; G282-A285 VanDerWaalsContact O-N 3.13Å; G282-I286 WeakPolarHBondContact O-CG1 3.47Å; G282-I286 PolarHBondContact O-N 3.22Å
283I93.3Very high88Confident6 Ų651.6 Ų51.63%0.03131%0.312CS..Hα-helixtrans-55.1-49176-64.2172.2000110.6F279 Q280 A285 I286 K287 V317 V322 L325 A326 L329F279-I283 HydrophobicContact CD1-CD1 3.81Å; F279-I283 HydrophobicContact CD1-CG1 4.46Å; F279-I283 HydrophobicContact CE1-CD1 3.58Å; F279-I283 HydrophobicContact CE1-CG1 4.31Å; F279-I283 HydrophobicContact CZ-CD1 4.32Å; F279-I283 WeakPolarHBondContact O-CG1 3.31Å; F279-I283 PolarHBondContact O-N 3.26Å; Q280-I283 PolarHBondContact O-N 3.46Å; I283-A285 PolarHBondContact O-N 2.89Å; I283-I286 WeakPolarHBondContact O-CG1 3.32Å; I283-I286 PolarHBondContact O-N 3Å; I283-K287 HydrophobicContact CG2-CB 4.42Å; I283-K287 WeakPolarHBondContact O-CB 3.01Å; I283-K287 PolarHBondContact O-N 3.41Å; I283-V317 HydrophobicContact CG2-CG1 4.08Å; I283-V317 HydrophobicContact CG2-CG2 4.24Å; I283-V322 HydrophobicContact CD1-CG1 3.78Å; I283-V322 HydrophobicContact CG1-CG1 4.02Å; I283-L325 HydrophobicContact CD1-CB 4.07Å; I283-A326 HydrophobicContact CG2-CB 3.65Å; I283-L329 HydrophobicContact CB-CD1 3.86Å; I283-L329 HydrophobicContact CD1-CD1 4.21Å; I283-L329 HydrophobicContact CG2-CD1 3.81Å
284S92.5Very high86.5Confident20 Ų2053.3 Ų53.314%0.1432%0.324CS..Hα-helixtrans-59.4-32.2-178.3-58.80000112.5Q280 C281 G282 G332Q280-S284 WeakPolarHBondContact O-CB 3.26Å; Q280-S284 PolarHBondContact O-N 3.33Å; Q280-S284 PolarHBondContact O-OG 3.22Å; C281-S284 PolarHBondContact O-N 3.1Å; G282-S284 VanDerWaalsContact C-N 3.32Å; G282-S284 PolarHBondContact O-N 2.61Å; S284-G332 WeakPolarHBondContact O-CA 3.34Å; S284-G332 PolarHBondContact O-N 3.48Å
285A90.4Very high84.8Confident68 Ų6854.5 Ų54.556%0.56234%0.339SS*.Hα-helixtrans-73-27.8178.200000113.6C281 G282 I283C281-A285 PolarHBondContact O-N 3.2Å; G282-A285 WeakPolarHBondContact O-CB 3.46Å; G282-A285 PolarHBondContact O-N 3.01Å; G282-A285 VanDerWaalsContact O-N 3.13Å; I283-A285 PolarHBondContact O-N 2.89Å
286I88.4Confident82.8Confident81 Ų8157.9 Ų57.942%0.41536%0.359SS..Hα-helixtrans-107.3-15.5-177.159167.3000113.7G282 I283 T288 P316 V317G282-I286 WeakPolarHBondContact O-CG1 3.47Å; G282-I286 PolarHBondContact O-N 3.22Å; I283-I286 WeakPolarHBondContact O-CG1 3.32Å; I283-I286 PolarHBondContact O-N 3Å; I286-T288 PolarHBondContact O-N 3Å; I286-P316 HydrophobicContact CD1-CB 3.74Å; I286-P316 HydrophobicContact CD1-CG 3.76Å; I286-V317 HydrophobicContact CB-CG2 4.35Å; I286-V317 HydrophobicContact CD1-CG2 3.43Å; I286-V317 VanDerWaalsContact CD1-CG2 3.43Å; I286-V317 HydrophobicContact CG1-CG2 3.4Å; I286-V317 VanDerWaalsContact CG1-CG2 3.4Å
287K88.2Confident80.5Confident16 Ų1661 Ų617%0.0740%0.396CS..  trans-63.9129.2178.1-177.7177.6-178.8-1780109.2I283 C291 V317 A326 L329 I331 G332I283-K287 HydrophobicContact CG2-CB 4.42Å; I283-K287 WeakPolarHBondContact O-CB 3.01Å; I283-K287 PolarHBondContact O-N 3.41Å; K287-C291 HydrophobicContact CG-CB 4.31Å; K287-V317 HydrophobicContact CB-CG1 4.31Å; K287-V317 HydrophobicContact CB-CG2 4.43Å; K287-V317 HydrophobicContact CG-CG1 4.25Å; K287-A326 PolarHBondContact NZ-O 3.02Å; K287-L329 PolarHBondContact NZ-O 3.48Å; K287-I331 HydrophobicContact CD-CG1 4.49Å; K287-I331 HydrophobicContact CG-CG1 4.42Å; K287-I331 VanDerWaalsContact O-CG2 3.3Å; K287-I331 WeakPolarHBondContact O-CG2 3.01Å; K287-G332 PolarHBondContact O-N 2.83Å
288T84.9Confident77.8Confident57 Ų5763.7 Ų63.735%0.3541%0.412SS..  trans-116.7166.1178.164.60000110.5I286 R290 C291I286-T288 PolarHBondContact O-N 3Å; T288-R290 PolarHBondContact O-N 3.41Å; T288-R290 WeakPolarHBondContact OG1-CB 3.3Å; T288-C291 PolarHBondContact N-SG 3.4Å; T288-C291 VanDerWaalsContact O-CB 3.3Å; T288-C291 WeakPolarHBondContact O-CB 3.29Å; T288-C291 PolarHBondContact O-N 3.5Å; T288-C291 PolarHBondContact OG1-SG 2.93Å; T288-C291 VanDerWaalsContact OG1-SG 3.33Å
289T82.6Confident75Confident98 Ų9869 Ų6960%0.60143%0.433SS*.Hα-helixtrans-56.9-33.6173.249.90000112.3C291 V292 S293 I331T289-C291 VanDerWaalsContact C-N 3.27Å; T289-C291 PolarHBondContact O-N 3.25Å; T289-V292 WeakPolarHBondContact O-CB 3.44Å; T289-V292 PolarHBondContact O-N 3.09Å; T289-S293 PolarHBondContact O-N 3.02Å; T289-S293 PolarHBondContact O-OG 3.41Å; T289-I331 HydrophobicContact CG2-CD1 3.82Å; T289-I331 HydrophobicContact CG2-CG2 4.41Å
290R79.5Confident72.2Confident94 Ų9475 Ų7536%0.35546%0.462SS..Hα-helixtrans-57.6-36.2174.3-169.978.2177.5176.14113.3T288 V292 S294 A308 K310 V312T288-R290 PolarHBondContact O-N 3.41Å; T288-R290 WeakPolarHBondContact OG1-CB 3.3Å; R290-V292 VanDerWaalsContact C-N 3.26Å; R290-V292 PolarHBondContact O-N 3.2Å; R290-S294 PolarHBondContact O-OG 3.3Å; R290-A308 PolarHBondContact NH1-O 3.05Å; R290-A308 PolarHBondContact NH2-O 2.84Å; R290-K310 PolarHBondContact NH2-O 3.07Å; R290-K310 VanDerWaalsContact NH2-O 3.15Å; R290-V312 HydrophobicContact CG-CG2 3.63Å
291C81.1Confident69.7Low12 Ų1276.1 Ų76.18%0.08147%0.47CS..Hα-helixtrans-65.3-33177.6-56.60000111.4K287 T288 T289 V317 C318K287-C291 HydrophobicContact CG-CB 4.31Å; T288-C291 PolarHBondContact N-SG 3.4Å; T288-C291 VanDerWaalsContact O-CB 3.3Å; T288-C291 WeakPolarHBondContact O-CB 3.29Å; T288-C291 PolarHBondContact O-N 3.5Å; T288-C291 PolarHBondContact OG1-SG 2.93Å; T288-C291 VanDerWaalsContact OG1-SG 3.33Å; T289-C291 VanDerWaalsContact C-N 3.27Å; T289-C291 PolarHBondContact O-N 3.25Å; C291-V317 HydrophobicContact CB-CG1 4.14Å; C291-C318 VanDerWaalsContact SG-SG 3.63Å
292V75.8Confident67.1Low66 Ų6678.1 Ų78.140%0.448%0.475SS..Hα-helixtrans-75.3-44.2-179.2-175.90000111T289 R290 S294 G295 I331T289-V292 WeakPolarHBondContact O-CB 3.44Å; T289-V292 PolarHBondContact O-N 3.09Å; R290-V292 VanDerWaalsContact C-N 3.26Å; R290-V292 PolarHBondContact O-N 3.2Å; V292-S294 PolarHBondContact O-N 3.5Å; V292-S294 VanDerWaalsContact O-N 3.1Å; V292-G295 WeakPolarHBondContact O-CA 3.3Å; V292-G295 PolarHBondContact O-N 3Å; V292-I331 HydrophobicContact CG2-CD1 3.99Å; V292-I331 HydrophobicContact CG2-CG1 4.45Å
293S67.3Low64.5Low96 Ų9683.6 Ų83.667%0.67150%0.496SS*.Hα-helixtrans-63.5-18.6-179-54.20000114.3T289 G295T289-S293 PolarHBondContact O-N 3.02Å; T289-S293 PolarHBondContact O-OG 3.41Å; S293-G295 VanDerWaalsContact C-N 3.28Å
294S60Low61.9Low43 Ų4386.2 Ų86.230%0.30152%0.524SS..THydrogen-bonded Turntrans-75.6-23.7173-57.30000111.7R290 V292 R323R290-S294 PolarHBondContact O-OG 3.3Å; V292-S294 PolarHBondContact O-N 3.5Å; V292-S294 VanDerWaalsContact O-N 3.1Å; S294-R323 PolarHBondContact O-NH2 3.13Å
295G56.6Low59.4Low37 Ų3791 Ų9138%0.38155%0.548SS..THydrogen-bonded Turntrans-60.4-63.4-165.300000116.6V292 S293V292-G295 WeakPolarHBondContact O-CA 3.3Å; V292-G295 PolarHBondContact O-N 3Å; S293-G295 VanDerWaalsContact C-N 3.28Å
296D51.6Low57Low120 Ų12094.4 Ų94.464%0.64255%0.553SS**SBendtrans-93.2143-168.5-68.1-36.5000110.1C298D296-C298 PolarHBondContact O-N 2.76Å
297G44.7Very low55Low96 Ų9696 Ų9699%0.9956%0.558SS**SBendtrans-65.449.4179.600000115.3
298C35.2Very low52.8Low90 Ų9097.9 Ų97.961%0.60858%0.577SS**  trans-154.7116.1178.645.40000106.9D296D296-C298 PolarHBondContact O-N 2.76Å
299M34.2Very low50.9Low161 Ų16199 Ų9979%0.79358%0.584SS**  cis-142.214142.9-55.4-171.4-159.100109.5I301M299-I301 HydrophobicContact CB-CG1 3.87Å; M299-I301 PolarHBondContact O-N 3.06Å
300E34.4Very low49.4Very low203 Ų20399.7 Ų99.795%0.94958%0.578SS**  trans-5782.3145.4-67.5177.1165.900106.6D302E300-D302 PolarHBondContact O-N 3.2Å
301I38.8Very low48.2Very low110 Ų110101.4 Ų101.456%0.56459%0.588SS**  trans-68.8115.9164.1-58.4-176.7000104.1M299 T309M299-I301 HydrophobicContact CB-CG1 3.87Å; M299-I301 PolarHBondContact O-N 3.06Å; I301-T309 HydrophobicContact CD1-CG2 4.26Å
302D37.5Very low47.3Very low131 Ų131103.7 Ų103.770%0.70160%0.602SS**  trans-41.1140.3178.8-155-3.7000111.6E300 G304E300-D302 PolarHBondContact O-N 3.2Å; D302-G304 PolarHBondContact O-N 3.37Å; D302-G304 VanDerWaalsContact O-N 3.13Å
303N37.2Very low46.8Very low150 Ų150105.2 Ų105.280%0.80261%0.613SS**THydrogen-bonded Turntrans-31.8106.2-174.3-60-75.3000114.6
304G39.9Very low47.2Very low62 Ų62109.5 Ų109.564%0.63962%0.623SS**THydrogen-bonded Turntrans169.5-46.8166.700000115.7D302D302-G304 PolarHBondContact O-N 3.37Å; D302-G304 VanDerWaalsContact O-N 3.13Å
305D39.4Very low48.4Very low119 Ų119108.2 Ų108.264%0.63661%0.613SS**  trans-111.338-165.3-69.8-31.6000114.3E307 A308D305-E307 PolarHBondContact O-N 2.7Å; D305-A308 HydrophobicContact CB-CB 4.48Å; D305-A308 PolarHBondContact O-N 3.24Å
306Q40.6Very low49.8Very low141 Ų141109.7 Ų109.766%0.65962%0.617SS**G310 helixtrans-56.7-20.6176.7-70.5-178.58.900113.5T309Q306-T309 PolarHBondContact O-OG1 3.44Å
307E44.7Very low51.6Low114 Ų114104.2 Ų104.253%0.53359%0.587SS.*G310 helixtrans-74.1-33.8178.1-148.268.5-160.300111.8D305 T309 K310D305-E307 PolarHBondContact O-N 2.7Å; E307-T309 VanDerWaalsContact C-N 3.31Å; E307-T309 PolarHBondContact O-N 2.6Å; E307-K310 IonicContact OE1-NZ 3.41Å; E307-K310 PolarHBondContact OE1-NZ 3.42Å; E307-K310 IonicContact OE2-NZ 2.75Å; E307-K310 PolarHBondContact OE2-NZ 3.1Å
308A42.9Very low53.5Low56 Ų56100.3 Ų100.346%0.46355%0.545SS..G310 helixtrans-85.94.5-174.900000113.2R290 D305R290-A308 PolarHBondContact NH1-O 3.05Å; R290-A308 PolarHBondContact NH2-O 2.84Å; D305-A308 HydrophobicContact CB-CB 4.48Å; D305-A308 PolarHBondContact O-N 3.24Å
309T44.5Very low56Low81 Ų81100.1 Ų100.150%0.49754%0.537SS..G310 helixtrans-115.7-4.2172.847.60000112.9I301 Q306 E307I301-T309 HydrophobicContact CD1-CG2 4.26Å; Q306-T309 PolarHBondContact O-OG1 3.44Å; E307-T309 VanDerWaalsContact C-N 3.31Å; E307-T309 PolarHBondContact O-N 2.6Å
310K51.9Low58.4Low111 Ų11199.8 Ų99.848%0.48353%0.533SS..SBendtrans-62.2139.9175.6-75.9170.1-175.4167.60110.9R290 E307 V312R290-K310 PolarHBondContact NH2-O 3.07Å; R290-K310 VanDerWaalsContact NH2-O 3.15Å; E307-K310 IonicContact OE1-NZ 3.41Å; E307-K310 PolarHBondContact OE1-NZ 3.42Å; E307-K310 IonicContact OE2-NZ 2.75Å; E307-K310 PolarHBondContact OE2-NZ 3.1Å; K310-V312 PolarHBondContact O-N 3.33Å
311K54Low61Low130 Ų13096.8 Ų96.857%0.56552%0.519SS*.  trans-41.5135.6174.3-64.8179.1179.3-176.80109.4P313K311-P313 WeakPolarHBondContact O-CD 3.32Å; K311-P313 VanDerWaalsContact O-N 3.12Å
312V62.4Low63.4Low60 Ų6092.8 Ų92.836%0.36450%0.5SS..  trans-57.3120.1170.7177.60000107.1R290 K310 E314 C315R290-V312 HydrophobicContact CG-CG2 3.63Å; K310-V312 PolarHBondContact O-N 3.33Å; V312-E314 PolarHBondContact O-N 3.35Å; V312-C315 HydrophobicContact CB-CB 3.72Å; V312-C315 HydrophobicContact CG1-CB 3.93Å; V312-C315 PolarHBondContact O-N 3.18Å
313P65.7Low65.7Low99 Ų9990.2 Ų90.264%0.64348%0.481SS*.THydrogen-bonded Turntrans-52.8130.8177.7-22.631.7000109K311 C315K311-P313 WeakPolarHBondContact O-CD 3.32Å; K311-P313 VanDerWaalsContact O-N 3.12Å; P313-C315 PolarHBondContact O-N 3.24Å; P313-C315 VanDerWaalsContact O-N 3.13Å
314E75.7Confident68.1Low185 Ų18587 Ų8786%0.86447%0.468SS*.THydrogen-bonded Turntrans63.717174.5-51.6174.617100115.7V312 P316V312-E314 PolarHBondContact O-N 3.35Å; E314-P316 WeakPolarHBondContact O-CD 3.3Å
315C83.9Confident70.5Confident16 Ų1688.5 Ų88.511%0.10846%0.461CS..  trans-70.9120.5174.5178.10000111.1V312 P313 V317 C318 I319V312-C315 HydrophobicContact CB-CB 3.72Å; V312-C315 HydrophobicContact CG1-CB 3.93Å; V312-C315 PolarHBondContact O-N 3.18Å; P313-C315 PolarHBondContact O-N 3.24Å; P313-C315 VanDerWaalsContact O-N 3.13Å; C315-V317 PolarHBondContact O-N 3.33Å; C315-V317 VanDerWaalsContact O-N 3.17Å; C315-C318 HydrophobicContact CB-CB 4Å; C315-C318 PolarHBondContact O-N 3.11Å; C315-C318 VanDerWaalsContact O-N 3.11Å; C315-C318 VanDerWaalsContact SG-SG 3.62Å; C315-I319 WeakPolarHBondContact O-CG1 3.16Å
316P87.4Confident72.8Confident69 Ų6983 Ų8345%0.44843%0.432SS..THydrogen-bonded Turntrans-63.9-26.4-176.4-15.125.6000113.5I286 E314 V322I286-P316 HydrophobicContact CD1-CB 3.74Å; I286-P316 HydrophobicContact CD1-CG 3.76Å; E314-P316 WeakPolarHBondContact O-CD 3.3Å; P316-V322 WeakPolarHBondContact O-CB 3.35Å; P316-V322 WeakPolarHBondContact O-CG1 3.47Å; P316-V322 WeakPolarHBondContact O-CG2 3.48Å
317V88.5Confident75Confident4 Ų481.8 Ų81.82%0.02443%0.43CS..THydrogen-bonded Turntrans-78.9-28.5-179.7-172.20000112I283 I286 K287 C291 C315 I319 A326I283-V317 HydrophobicContact CG2-CG1 4.08Å; I283-V317 HydrophobicContact CG2-CG2 4.24Å; I286-V317 HydrophobicContact CB-CG2 4.35Å; I286-V317 HydrophobicContact CD1-CG2 3.43Å; I286-V317 VanDerWaalsContact CD1-CG2 3.43Å; I286-V317 HydrophobicContact CG1-CG2 3.4Å; I286-V317 VanDerWaalsContact CG1-CG2 3.4Å; K287-V317 HydrophobicContact CB-CG1 4.31Å; K287-V317 HydrophobicContact CB-CG2 4.43Å; K287-V317 HydrophobicContact CG-CG1 4.25Å; C291-V317 HydrophobicContact CB-CG1 4.14Å; C315-V317 PolarHBondContact O-N 3.33Å; C315-V317 VanDerWaalsContact O-N 3.17Å; V317-I319 VanDerWaalsContact C-N 3.31Å; V317-A326 HydrophobicContact CG1-CB 3.63Å
318C84.8Confident77.1Confident15 Ų1580.5 Ų80.510%0.10145%0.447CS..SBendtrans-88.30.7-175.3-650000113.2C291 C315C291-C318 VanDerWaalsContact SG-SG 3.63Å; C315-C318 HydrophobicContact CB-CB 4Å; C315-C318 PolarHBondContact O-N 3.11Å; C315-C318 VanDerWaalsContact O-N 3.11Å; C315-C318 VanDerWaalsContact SG-SG 3.62Å
319I87.1Confident79.4Confident86 Ų8679.2 Ų79.244%0.44143%0.432SS..SBendtrans-72.8143.7173.8-41.3-179.7000108.6C315 V317 E321 V322 R323C315-I319 WeakPolarHBondContact O-CG1 3.16Å; V317-I319 VanDerWaalsContact C-N 3.31Å; I319-E321 VanDerWaalsContact C-N 3.27Å; I319-E321 WeakPolarHBondContact CG2-OE2 3.21Å; I319-E321 PolarHBondContact O-N 3.17Å; I319-V322 PolarHBondContact O-N 2.65Å; I319-R323 WeakPolarHBondContact O-CB 3.35Å; I319-R323 PolarHBondContact O-N 3.2Å
320E85.3Confident81.7Confident154 Ų15479.6 Ų79.672%0.7244%0.436SS*.THydrogen-bonded Turntrans-56.1-38-171.7-171.4171.8168.200113.1P324E320-P324 WeakPolarHBondContact O-CD 3.42Å
321E88.4Confident83.4Confident139 Ų13977.7 Ų77.765%0.6543%0.43SS*.THydrogen-bonded Turntrans-77.9-27.6-177.2-53.582.5176.300113.1I319I319-E321 VanDerWaalsContact C-N 3.27Å; I319-E321 WeakPolarHBondContact CG2-OE2 3.21Å; I319-E321 PolarHBondContact O-N 3.17Å
322V88.7Confident84.7Confident26 Ų2672.5 Ų72.516%0.15841%0.413CS..THydrogen-bonded Turntrans-91.1-28.5-176.8-177.90000111.2F279 I283 P316 I319 L325 A326F279-V322 HydrophobicContact CZ-CG1 4.39Å; F279-V322 HydrophobicContact CZ-CG2 4.44Å; I283-V322 HydrophobicContact CD1-CG1 3.78Å; I283-V322 HydrophobicContact CG1-CG1 4.02Å; P316-V322 WeakPolarHBondContact O-CB 3.35Å; P316-V322 WeakPolarHBondContact O-CG1 3.47Å; P316-V322 WeakPolarHBondContact O-CG2 3.48Å; I319-V322 PolarHBondContact O-N 2.65Å; V322-L325 CarbonylContact O-C 3.58Å; V322-L325 WeakPolarHBondContact O-CA 3.24Å; V322-L325 VanDerWaalsContact O-CB 3.29Å; V322-L325 WeakPolarHBondContact O-CB 3.4Å; V322-L325 PolarHBondContact O-N 3.26Å; V322-A326 PolarHBondContact O-N 2.76Å; V322-A326 VanDerWaalsContact O-N 3.09Å
323R86.1Confident85.5Confident78 Ų7881.7 Ų81.729%0.29444%0.442SS..Hα-helixtrans-58.6-46.9-173.2-177.1-169.9-165.3178.712.3114.1S294 I319 L325 A326 D327S294-R323 PolarHBondContact O-NH2 3.13Å; I319-R323 WeakPolarHBondContact O-CB 3.35Å; I319-R323 PolarHBondContact O-N 3.2Å; R323-L325 PolarHBondContact O-N 3.18Å; R323-A326 WeakPolarHBondContact O-CA 3.41Å; R323-A326 VanDerWaalsContact O-CB 3.32Å; R323-A326 WeakPolarHBondContact O-CB 3.34Å; R323-A326 PolarHBondContact O-N 3.01Å; R323-D327 PolarHBondContact O-N 3.43Å
324P88.9Confident85.9Confident82 Ų8282.2 Ų82.253%0.53244%0.443SS..Hα-helixtrans-60.9-29175.5-2233.5000112.6E320 A326 D327E320-P324 WeakPolarHBondContact O-CD 3.42Å; P324-A326 VanDerWaalsContact C-N 3.27Å; P324-D327 PolarHBondContact O-N 3.41Å
325L89.3Confident86Confident94 Ų9478.5 Ų78.549%0.49244%0.437SS..Hα-helixtrans-76.7-18.3177.2-52.6175000112.1F279 I283 V322 R323 L329F279-L325 HydrophobicContact CD1-CD1 4.4Å; F279-L325 HydrophobicContact CE1-CB 4.39Å; F279-L325 HydrophobicContact CE1-CD1 3.58Å; F279-L325 HydrophobicContact CZ-CD1 4.36Å; I283-L325 HydrophobicContact CD1-CB 4.07Å; V322-L325 CarbonylContact O-C 3.58Å; V322-L325 WeakPolarHBondContact O-CA 3.24Å; V322-L325 VanDerWaalsContact O-CB 3.29Å; V322-L325 WeakPolarHBondContact O-CB 3.4Å; V322-L325 PolarHBondContact O-N 3.26Å; R323-L325 PolarHBondContact O-N 3.18Å; L325-L329 WeakPolarHBondContact O-CD1 3.35Å
326A88.8Confident85.7Confident3 Ų384.5 Ų84.53%0.02546%0.463CS..Hα-helixtrans-84.9-14.3176.100000112.9I283 K287 V317 V322 R323 P324 L329I283-A326 HydrophobicContact CG2-CB 3.65Å; K287-A326 PolarHBondContact NZ-O 3.02Å; V317-A326 HydrophobicContact CG1-CB 3.63Å; V322-A326 PolarHBondContact O-N 2.76Å; V322-A326 VanDerWaalsContact O-N 3.09Å; R323-A326 WeakPolarHBondContact O-CA 3.41Å; R323-A326 VanDerWaalsContact O-CB 3.32Å; R323-A326 WeakPolarHBondContact O-CB 3.34Å; R323-A326 PolarHBondContact O-N 3.01Å; P324-A326 VanDerWaalsContact C-N 3.27Å; A326-L329 WeakPolarHBondContact O-CB 3.41Å; A326-L329 PolarHBondContact O-N 2.65Å
327D86.5Confident85.4Confident116 Ų11686.7 Ų86.762%0.6248%0.48SS*.THydrogen-bonded Turntrans-63137.2-178.7-70-20.9000111.1R323 P324 L329R323-D327 PolarHBondContact O-N 3.43Å; P324-D327 PolarHBondContact O-N 3.41Å; D327-L329 PolarHBondContact O-N 3.15Å
328G87.9Confident85.1Confident86 Ų8694.7 Ų94.789%0.88752%0.515SS*.THydrogen-bonded Turntrans72-14.5-174.500000116.1
329L92.2Very high85.1Confident29 Ų2997.4 Ų97.415%0.15253%0.528CS..PPolyproline II helixtrans-71.2145.3178.1-65.4-175.3000112.4Q280 I283 K287 L325 A326 D327Q280-L329 HydrophobicContact CB-CD1 3.97Å; Q280-L329 HydrophobicContact CB-CD2 4.09Å; Q280-L329 HydrophobicContact CG-CD1 4.12Å; Q280-L329 HydrophobicContact CG-CD2 4.25Å; I283-L329 HydrophobicContact CB-CD1 3.86Å; I283-L329 HydrophobicContact CD1-CD1 4.21Å; I283-L329 HydrophobicContact CG2-CD1 3.81Å; K287-L329 PolarHBondContact NZ-O 3.48Å; L325-L329 WeakPolarHBondContact O-CD1 3.35Å; A326-L329 WeakPolarHBondContact O-CB 3.41Å; A326-L329 PolarHBondContact O-N 2.65Å; D327-L329 PolarHBondContact O-N 3.15Å
330P91.9Very high85.1Confident89 Ų8998.4 Ų98.458%0.57853%0.533SS*.PPolyproline II helixtrans-65.4156.2178.227.9-34.3000112
331I88Confident85.2Confident71 Ų7191.1 Ų91.136%0.36450%0.499SS..PPolyproline II helixtrans-86.7134.6176-60.3175.5000108.9K287 T289 V292 R333K287-I331 HydrophobicContact CD-CG1 4.49Å; K287-I331 HydrophobicContact CG-CG1 4.42Å; K287-I331 VanDerWaalsContact O-CG2 3.3Å; K287-I331 WeakPolarHBondContact O-CG2 3.01Å; T289-I331 HydrophobicContact CG2-CD1 3.82Å; T289-I331 HydrophobicContact CG2-CG2 4.41Å; V292-I331 HydrophobicContact CG2-CD1 3.99Å; V292-I331 HydrophobicContact CG2-CG1 4.45Å; I331-R333 PolarHBondContact O-N 3.34Å
332G82.3Confident85Confident21 Ų2187 Ų8722%0.21649%0.489CS..PPolyproline II helixtrans-64.5124.1175.900000110.5S284 K287S284-G332 WeakPolarHBondContact O-CA 3.34Å; S284-G332 PolarHBondContact O-N 3.48Å; K287-G332 PolarHBondContact O-N 2.83Å
333R78.5Confident84.8Confident254 Ų25491.1 Ų91.196%0.95850%0.502SS*.PPolyproline II helixtrans-83.8117.5168.7-66.3-167.4-160.5-170.76.1108.7I331I331-R333 PolarHBondContact O-N 3.34Å
334V74.8Confident84.8Confident109 Ų10989.8 Ų89.866%0.66151%0.505SS*.  trans-111.5126.1172.3-154.90000107.5H336V334-H336 VanDerWaalsContact C-N 3.32Å; V334-H336 VanDerWaalsContact CG1-O 3.24Å; V334-H336 WeakPolarHBondContact CG1-O 3.33Å
335S77Confident84.6Confident107 Ų10788 Ų8875%0.74850%0.502SS*.SBendtrans-76.1-22.6179.154.90000112.9
336H78.4Confident84.6Confident142 Ų14288.2 Ų88.266%0.65750%0.5SS*.SBendtrans-128.6129.6-177.8-57-66.3000110.2V334V334-H336 VanDerWaalsContact C-N 3.32Å; V334-H336 VanDerWaalsContact CG1-O 3.24Å; V334-H336 WeakPolarHBondContact CG1-O 3.33Å
337S79.9Confident84.6Confident116 Ų11692.4 Ų92.481%0.81152%0.521SS*.  trans-78.3134.3170.8-63.60000109.3
338K81.4Confident84.8Confident171 Ų17188 Ų8874%0.74350%0.497SS*.  trans-104.8120.6168.1-67.9-178.9-179.1178.70107.8
339L85.8Confident84.9Confident72 Ų7287.4 Ų87.438%0.37747%0.474SS..EExtended strand (participates in β ladder)trans-84.5135.6176.8-64.8177.8000109.3L348 V398L339-L348 HydrophobicContact CB-CB 3.84Å; L339-L348 HydrophobicContact CB-CD1 3.91Å; L339-L348 HydrophobicContact CB-CG 4.36Å; L339-L348 PolarHBondContact O-N 3.43Å; L339-V398 HydrophobicContact CD1-CB 4.18Å; L339-V398 HydrophobicContact CD1-CG1 3.91Å; L339-V398 HydrophobicContact CD1-CG2 3.53Å
340I87.2Confident84.7Confident107 Ų10794.5 Ų94.555%0.54951%0.506SS..EExtended strand (participates in β ladder)trans-122134-178-58.6177.6000107.8A342 G345 E346I340-A342 PolarHBondContact O-N 2.79Å; I340-G345 VanDerWaalsContact CG2-O 3.29Å; I340-G345 WeakPolarHBondContact CG2-O 3.41Å; I340-E346 WeakPolarHBondContact CA-O 3.25Å
341C88Confident84.6Confident1 Ų197.1 Ų97.11%0.00752%0.515CS..  trans-64.4124.7176.1-178.80000109.8Y343 S344 G345 E346 L348 G364 S367C341-Y343 PolarHBondContact O-N 3.24Å; C341-Y343 VanDerWaalsContact O-N 3.11Å; C341-S344 WeakPolarHBondContact CB-OG 3.31Å; C341-G345 WeakPolarHBondContact O-CA 3.29Å; C341-G345 PolarHBondContact O-N 2.99Å; C341-E346 WeakPolarHBondContact CB-O 3.29Å; C341-E346 PolarHBondContact N-O 3.26Å; C341-L348 HydrophobicContact CB-CD2 3.92Å; C341-L348 HydrophobicContact CB-CG 4.3Å; C341-G364 PolarHBondContact SG-N 3.41Å; C341-S367 PolarHBondContact SG-OG 3.32Å
342A82.6Confident84.9Confident52 Ų5294.1 Ų94.143%0.4350%0.5SS..THydrogen-bonded Turntrans-63.9-14.9-18000000115.1I340 Y363 R383I340-A342 PolarHBondContact O-N 2.79Å; A342-Y363 HydrophobicContact CB-CD1 4.35Å; A342-Y363 HydrophobicContact CB-CE1 4.11Å; A342-R383 VanDerWaalsContact CB-NH2 3.29Å
343Y84.7Confident85.4Confident114 Ų11493.4 Ų93.445%0.44749%0.492SS..THydrogen-bonded Turntrans-101.6-54.1-179.4-178.9-104.8000112.2C341 I371 P382C341-Y343 PolarHBondContact O-N 3.24Å; C341-Y343 VanDerWaalsContact O-N 3.11Å; Y343-I371 HydrophobicContact CD1-CD1 3.96Å; Y343-I371 HydrophobicContact CD1-CG1 4.39Å; Y343-I371 HydrophobicContact CD2-CD1 4.36Å; Y343-I371 HydrophobicContact CE1-CD1 3.89Å; Y343-I371 HydrophobicContact CE1-CG1 3.84Å; Y343-I371 HydrophobicContact CE2-CD1 4.3Å; Y343-I371 HydrophobicContact CG-CD1 4.17Å; Y343-P382 HydrophobicContact CD2-CB 3.73Å; Y343-P382 HydrophobicContact CD2-CG 3.38Å; Y343-P382 HydrophobicContact CE2-CB 4.06Å; Y343-P382 HydrophobicContact CE2-CG 3.76Å; Y343-P382 HydrophobicContact CG-CG 4.07Å
344S86.2Confident86.1Confident49 Ų4981.9 Ų81.934%0.34345%0.45SS..THydrogen-bonded Turntrans-89.5-15.5-17661.60000114.6C341 E346 S367C341-S344 WeakPolarHBondContact CB-OG 3.31Å; S344-E346 PolarHBondContact O-N 2.95Å; S344-E346 WeakPolarHBondContact OG-CB 3.5Å; S344-E346 WeakPolarHBondContact OG-CG 3.46Å; S344-E346 PolarHBondContact OG-N 3.2Å; S344-E346 PolarHBondContact OG-OE2 2.97Å; S344-S367 VanDerWaalsContact CB-OG 3.31Å; S344-S367 WeakPolarHBondContact CB-OG 3.42Å; S344-S367 PolarHBondContact OG-OG 3.11Å
345G85.1Confident87.1Confident46 Ų4678.2 Ų78.247%0.47443%0.425SS..  trans71.23.3-169.900000113.9I340 C341I340-G345 VanDerWaalsContact CG2-O 3.29Å; I340-G345 WeakPolarHBondContact CG2-O 3.41Å; C341-G345 WeakPolarHBondContact O-CA 3.29Å; C341-G345 PolarHBondContact O-N 2.99Å
346E89.4Confident87.9Confident98 Ų9874.9 Ų74.946%0.45840%0.4SS..  trans-78.4152.9178.7-64.9179147.700112.1I340 C341 S344 L348I340-E346 WeakPolarHBondContact CA-O 3.25Å; C341-E346 WeakPolarHBondContact CB-O 3.29Å; C341-E346 PolarHBondContact N-O 3.26Å; S344-E346 PolarHBondContact O-N 2.95Å; S344-E346 WeakPolarHBondContact OG-CB 3.5Å; S344-E346 WeakPolarHBondContact OG-CG 3.46Å; S344-E346 PolarHBondContact OG-N 3.2Å; S344-E346 PolarHBondContact OG-OE2 2.97Å; E346-L348 PolarHBondContact O-N 3.13Å
347I89.5Confident88.6Confident90 Ų9068.3 Ų68.346%0.46237%0.37SS..EExtended strand (participates in β ladder)trans-68.5132.7177.6-59.2173.4000109.7N349 N352I347-N349 HydrophobicContact CG2-CB 4.37Å; I347-N352 PolarHBondContact O-ND2 3.13Å
348L89.9Confident89.2Confident23 Ų2366.5 Ų66.512%0.1236%0.355CS..EExtended strand (participates in β ladder)trans-84.4115.9170.5-61.2170.1000108.9L339 C341 E346 N352 P354L339-L348 HydrophobicContact CB-CB 3.84Å; L339-L348 HydrophobicContact CB-CD1 3.91Å; L339-L348 HydrophobicContact CB-CG 4.36Å; L339-L348 PolarHBondContact O-N 3.43Å; C341-L348 HydrophobicContact CB-CD2 3.92Å; C341-L348 HydrophobicContact CB-CG 4.3Å; E346-L348 PolarHBondContact O-N 3.13Å; L348-N352 VanDerWaalsContact CA-O 3.31Å; L348-N352 WeakPolarHBondContact CA-O 3.29Å; L348-P354 HydrophobicContact CD1-CB 4.06Å; L348-P354 HydrophobicContact CD2-CB 4.38Å
349N89.9Confident89.6Confident75 Ų7560.1 Ų60.140%0.40133%0.33SS..SBendtrans-152.6-166.5-175.863.821.6000110.6I347 N351 N352 P353I347-N349 HydrophobicContact CG2-CB 4.37Å; N349-N351 PolarHBondContact O-N 3.41Å; N349-N351 PolarHBondContact OD1-N 3.11Å; N349-N352 PolarHBondContact N-O 2.75Å; N349-N352 VanDerWaalsContact N-O 3.13Å; N349-N352 CarbonylContact O-C 3.45Å; N349-N352 PolarHBondContact O-N 2.94Å; N349-N352 PolarHBondContact OD1-N 2.85Å; N349-P353 VanDerWaalsContact O-CA 3.25Å; N349-P353 WeakPolarHBondContact O-CA 3.46Å; N349-P353 VanDerWaalsContact O-N 3.07Å
350E88.2Confident89.8Confident177 Ų17759.1 Ų59.183%0.82734%0.337SS*.SBendtrans-58.6-32.4179.9-63.2173.9-172.300113.7
351N90.6Very high90Very high144 Ų14456.1 Ų56.177%0.7732%0.321SS*.SBendtrans-88.6-20.1-179.6-63-37.5000113N349N349-N351 PolarHBondContact O-N 3.41Å; N349-N351 PolarHBondContact OD1-N 3.11Å
352N92.8Very high90.1Very high9 Ų958.9 Ų58.95%0.04834%0.338CS..SBendtrans-134.670.8175-174.723.3000109.6I347 L348 N349 G364 Q365 S366I347-N352 PolarHBondContact O-ND2 3.13Å; L348-N352 VanDerWaalsContact CA-O 3.31Å; L348-N352 WeakPolarHBondContact CA-O 3.29Å; N349-N352 PolarHBondContact N-O 2.75Å; N349-N352 VanDerWaalsContact N-O 3.13Å; N349-N352 CarbonylContact O-C 3.45Å; N349-N352 PolarHBondContact O-N 2.94Å; N349-N352 PolarHBondContact OD1-N 2.85Å; N352-G364 VanDerWaalsContact OD1-C 3.32Å; N352-G364 VanDerWaalsContact OD1-CA 3.29Å; N352-G364 WeakPolarHBondContact OD1-CA 3.42Å; N352-Q365 PolarHBondContact OD1-N 2.94Å; N352-S366 PolarHBondContact OD1-N 2.81Å; N352-S366 VanDerWaalsContact OD1-N 3.09Å; N352-S366 PolarHBondContact OD1-OG 3.49Å
353P93.1Very high90.6Very high5 Ų556.5 Ų56.53%0.03232%0.317CS..  trans-67.5147.5-173.125.8-34000111.5N349 F355 Q365 R395N349-P353 VanDerWaalsContact O-CA 3.25Å; N349-P353 WeakPolarHBondContact O-CA 3.46Å; N349-P353 VanDerWaalsContact O-N 3.07Å; P353-F355 HydrophobicContact CG-CE2 4Å; P353-Q365 HydrophobicContact CG-CB 4.16Å; P353-Q365 PolarHBondContact O-N 3.02Å; P353-R395 HydrophobicContact CB-CG 4.49Å
354P94.3Very high91Very high13 Ų1351.1 Ų51.18%0.08430%0.296CS..EExtended strand (participates in β ladder)trans-71.4137.7174.525.3-27.9000111.4L348 V362 V396 V398L348-P354 HydrophobicContact CD1-CB 4.06Å; L348-P354 HydrophobicContact CD2-CB 4.38Å; P354-V362 HydrophobicContact CB-CG1 3.67Å; P354-V396 HydrophobicContact CB-CB 4.13Å; P354-V396 HydrophobicContact CG-CB 4.03Å; P354-V396 PolarHBondContact O-N 3.39Å; P354-V398 HydrophobicContact CG-CG2 4.31Å
355F94.1Very high91.4Very high31 Ų3152.1 Ų52.114%0.13630%0.296CS..EExtended strand (participates in β ladder)trans-124.1136.6172.4-84.1-96.5000109.6P353 V362 Y363 Q365 L368 A393 D394 R395P353-F355 HydrophobicContact CG-CE2 4Å; F355-V362 VanDerWaalsContact O-CA 3.29Å; F355-V362 WeakPolarHBondContact O-CA 3.32Å; F355-Y363 PolarHBondContact N-O 3.09Å; F355-Y363 PolarHBondContact O-N 3.37Å; F355-Q365 HydrophobicContact CD2-CB 3.92Å; F355-Q365 HydrophobicContact CD2-CG 4.38Å; F355-Q365 HydrophobicContact CE2-CB 3.84Å; F355-Q365 HydrophobicContact CE2-CG 3.94Å; F355-L368 HydrophobicContact CB-CD1 3.48Å; F355-L368 VanDerWaalsContact CB-CD1 3.48Å; F355-L368 HydrophobicContact CG-CD1 4.25Å; F355-A393 HydrophobicContact CB-CB 4.42Å; F355-A393 HydrophobicContact CD1-CB 4.1Å; F355-D394 CarbonylContact C-O 3.17Å; F355-D394 VanDerWaalsContact CA-O 3.26Å; F355-D394 WeakPolarHBondContact CA-O 3.22Å; F355-R395 HydrophobicContact CD1-CB 4.22Å; F355-R395 HydrophobicContact CE1-CB 3.79Å; F355-R395 HydrophobicContact CE1-CG 4.5Å; F355-R395 HydrophobicContact CE2-CB 4.48Å; F355-R395 HydrophobicContact CE2-CG 4.33Å; F355-R395 HydrophobicContact CZ-CB 3.94Å; F355-R395 HydrophobicContact CZ-CG 4.2Å
356V94.5Very high91.8Very high38 Ų3852.5 Ų52.523%0.2329%0.291CS..EExtended strand (participates in β ladder)trans-99.3128.8175.465.20000109.5V362 A393 D394 V396V356-V362 HydrophobicContact CB-CG2 4.04Å; V356-V362 HydrophobicContact CG2-CG2 4.01Å; V356-A393 CarbonylContact O-C 3.46Å; V356-A393 VanDerWaalsContact O-CA 3.29Å; V356-A393 WeakPolarHBondContact O-CA 3.31Å; V356-D394 HydrophobicContact CG1-CB 3.9Å; V356-D394 PolarHBondContact N-O 2.79Å; V356-D394 PolarHBondContact O-N 3.21Å; V356-V396 HydrophobicContact CB-CG2 3.69Å; V356-V396 HydrophobicContact CG1-CG2 3.81Å
357L93.7Very high91.9Very high3 Ų348 Ų482%0.01627%0.271CS..  trans-81.1161.9171.8-66.7173.3000110.3N359 G360 M361 Y363 L368 I379 C381 Y388 A393L357-N359 WeakPolarHBondContact CB-OD1 3.46Å; L357-N359 PolarHBondContact O-N 3.25Å; L357-G360 PolarHBondContact O-N 3.16Å; L357-M361 PolarHBondContact N-O 3.06Å; L357-Y363 HydrophobicContact CD1-CD2 3.9Å; L357-Y363 HydrophobicContact CD1-CE2 3.82Å; L357-Y363 HydrophobicContact CG-CD2 4.45Å; L357-L368 HydrophobicContact CD1-CD2 4.29Å; L357-L368 HydrophobicContact CD2-CD2 4.28Å; L357-L368 HydrophobicContact CG-CD2 4.44Å; L357-I379 HydrophobicContact CD1-CG2 4.19Å; L357-I379 HydrophobicContact CD2-CD1 4.31Å; L357-I379 HydrophobicContact CD2-CG2 4.09Å; L357-C381 HydrophobicContact CD1-CB 4.08Å; L357-Y388 HydrophobicContact CB-CD2 4.31Å; L357-Y388 HydrophobicContact CB-CE2 4.47Å; L357-Y388 HydrophobicContact CD1-CD2 4.26Å; L357-Y388 HydrophobicContact CD2-CD2 4.24Å; L357-A393 HydrophobicContact CD2-CB 3.98Å
358P91.9Very high92Very high78 Ų7843.8 Ų43.851%0.50625%0.249SC..THydrogen-bonded Turntrans-57.3-17.9179.4-28.536.2000115.6G360 Y388 E392P358-G360 VanDerWaalsContact C-N 3.31Å; P358-Y388 HydrophobicContact CB-CD1 4.13Å; P358-Y388 HydrophobicContact CB-CE1 3.71Å; P358-Y388 HydrophobicContact CG-CD1 3.6Å; P358-Y388 HydrophobicContact CG-CE1 3.73Å; P358-Y388 HydrophobicContact CG-CG 4.28Å; P358-E392 HydrophobicContact CG-CB 3.85Å; P358-E392 WeakPolarHBondContact CG-O 3.39Å
359N90.6Very high92.2Very high38 Ų3846.5 Ų46.520%0.20326%0.263CS..THydrogen-bonded Turntrans-87.88.3173.162.813.5000114.7L357 M361 T384 Q386 Y388L357-N359 WeakPolarHBondContact CB-OD1 3.46Å; L357-N359 PolarHBondContact O-N 3.25Å; N359-M361 VanDerWaalsContact C-N 3.29Å; N359-M361 PolarHBondContact O-N 3.03Å; N359-M361 WeakPolarHBondContact OD1-CB 3.39Å; N359-M361 WeakPolarHBondContact OD1-CG 3.41Å; N359-M361 PolarHBondContact OD1-N 3.42Å; N359-M361 VanDerWaalsContact OD1-N 3.12Å; N359-T384 PolarHBondContact ND2-OG1 2.94Å; N359-Q386 VanDerWaalsContact CB-OE1 3.23Å; N359-Q386 PolarHBondContact ND2-OE1 3.4Å; N359-Y388 HydrophobicContact CB-CE2 4.48Å; N359-Y388 WeakPolarHBondContact CB-OH 3.45Å
360G90Very high92.3Very high51 Ų5145.1 Ų45.153%0.52626%0.262SS..SBendtrans81.6-1.317900000115L357 P358L357-G360 PolarHBondContact O-N 3.16Å; P358-G360 VanDerWaalsContact C-N 3.31Å
361M90.1Very high92.5Very high44 Ų4437 Ų3722%0.21722%0.224CC..  trans-79.6133.4178.9-62.7-70.2169.500111.1L357 N359 Y363 T384L357-M361 PolarHBondContact N-O 3.06Å; N359-M361 VanDerWaalsContact C-N 3.29Å; N359-M361 PolarHBondContact O-N 3.03Å; N359-M361 WeakPolarHBondContact OD1-CB 3.39Å; N359-M361 WeakPolarHBondContact OD1-CG 3.41Å; N359-M361 PolarHBondContact OD1-N 3.42Å; N359-M361 VanDerWaalsContact OD1-N 3.12Å; M361-Y363 HydrophobicContact CB-CD2 4.38Å; M361-Y363 HydrophobicContact CB-CE2 3.5Å; M361-T384 HydrophobicContact CE-CG2 4.21Å; M361-T384 HydrophobicContact CG-CG2 4.5Å
362V91.1Very high92.5Very high59 Ų5930.7 Ų30.736%0.35819%0.192SC..EExtended strand (participates in β ladder)trans-106.3132-177.1-176.50000111.2P354 F355 V356P354-V362 HydrophobicContact CB-CG1 3.67Å; F355-V362 VanDerWaalsContact O-CA 3.29Å; F355-V362 WeakPolarHBondContact O-CA 3.32Å; V356-V362 HydrophobicContact CB-CG2 4.04Å; V356-V362 HydrophobicContact CG2-CG2 4.01Å
363Y92.4Very high92.4Very high2 Ų234.3 Ų34.31%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-140.1161177.6-58.3-78.5000110.8A342 F355 L357 M361 L368 C381 P382 R383A342-Y363 HydrophobicContact CB-CD1 4.35Å; A342-Y363 HydrophobicContact CB-CE1 4.11Å; F355-Y363 PolarHBondContact N-O 3.09Å; F355-Y363 PolarHBondContact O-N 3.37Å; L357-Y363 HydrophobicContact CD1-CD2 3.9Å; L357-Y363 HydrophobicContact CD1-CE2 3.82Å; L357-Y363 HydrophobicContact CG-CD2 4.45Å; M361-Y363 HydrophobicContact CB-CD2 4.38Å; M361-Y363 HydrophobicContact CB-CE2 3.5Å; Y363-L368 HydrophobicContact CD2-CD2 4.03Å; Y363-L368 HydrophobicContact CG-CD2 4.23Å; Y363-C381 PolarHBondContact OH-SG 3.37Å; Y363-P382 HydrophobicContact CE1-CG 4.29Å; Y363-R383 WeakPolarHBondContact OH-CD 3.45Å; Y363-R383 WeakPolarHBondContact OH-CG 3.22Å
364G93.8Very high92.2Very high0 Ų041 Ų410%025%0.254CS..EExtended strand (participates in β ladder)trans-73147.8172.600000111.7C341 N352 S366 S367 L368C341-G364 PolarHBondContact SG-N 3.41Å; N352-G364 VanDerWaalsContact OD1-C 3.32Å; N352-G364 VanDerWaalsContact OD1-CA 3.29Å; N352-G364 WeakPolarHBondContact OD1-CA 3.42Å; G364-S366 VanDerWaalsContact C-N 3.26Å; G364-S366 PolarHBondContact O-N 3.12Å; G364-S367 WeakPolarHBondContact O-CB 3.26Å; G364-S367 PolarHBondContact O-N 2.82Å; G364-S367 VanDerWaalsContact O-N 3.09Å; G364-L368 PolarHBondContact O-N 3.23Å; G364-L368 VanDerWaalsContact O-N 3.11Å
365Q93.8Very high91.9Very high71 Ų7143.2 Ų43.233%0.33227%0.266SS..Hα-helixtrans-51.8-44.1175.8-173.5177-5.200112.5N352 P353 F355 S367 L368 L369N352-Q365 PolarHBondContact OD1-N 2.94Å; P353-Q365 HydrophobicContact CG-CB 4.16Å; P353-Q365 PolarHBondContact O-N 3.02Å; F355-Q365 HydrophobicContact CD2-CB 3.92Å; F355-Q365 HydrophobicContact CD2-CG 4.38Å; F355-Q365 HydrophobicContact CE2-CB 3.84Å; F355-Q365 HydrophobicContact CE2-CG 3.94Å; Q365-S367 VanDerWaalsContact C-N 3.29Å; Q365-S367 PolarHBondContact O-N 2.81Å; Q365-L368 PolarHBondContact O-N 3.09Å; Q365-L369 HydrophobicContact CG-CD1 3.99Å; Q365-L369 HydrophobicContact CG-CG 4.39Å; Q365-L369 WeakPolarHBondContact O-CG 3.49Å; Q365-L369 PolarHBondContact O-N 3.16Å
366S93.4Very high91.5Very high54 Ų5449.8 Ų49.838%0.37830%0.302SS..Hα-helixtrans-58.8-41.6179.4-57.90000111.8N352 G364 A370N352-S366 PolarHBondContact OD1-N 2.81Å; N352-S366 VanDerWaalsContact OD1-N 3.09Å; N352-S366 PolarHBondContact OD1-OG 3.49Å; G364-S366 VanDerWaalsContact C-N 3.26Å; G364-S366 PolarHBondContact O-N 3.12Å; S366-A370 WeakPolarHBondContact O-CB 3.45Å; S366-A370 PolarHBondContact O-N 2.99Å
367S91.9Very high91.2Very high4 Ų450.3 Ų50.33%0.02832%0.315CS..Hα-helixtrans-66.4-43.2177.8-57.80000112.3C341 S344 G364 Q365 A370 I371C341-S367 PolarHBondContact SG-OG 3.32Å; S344-S367 VanDerWaalsContact CB-OG 3.31Å; S344-S367 WeakPolarHBondContact CB-OG 3.42Å; S344-S367 PolarHBondContact OG-OG 3.11Å; G364-S367 WeakPolarHBondContact O-CB 3.26Å; G364-S367 PolarHBondContact O-N 2.82Å; G364-S367 VanDerWaalsContact O-N 3.09Å; Q365-S367 VanDerWaalsContact C-N 3.29Å; Q365-S367 PolarHBondContact O-N 2.81Å; S367-A370 PolarHBondContact O-N 2.98Å; S367-I371 WeakPolarHBondContact O-CB 3.29Å; S367-I371 WeakPolarHBondContact O-CD1 3.49Å; S367-I371 WeakPolarHBondContact O-CG1 3.28Å; S367-I371 PolarHBondContact O-N 2.91Å
368L92.7Very high91Very high0 Ų056 Ų560%034%0.34CS..Hα-helixtrans-67.1-38.5-179.7-65.6174.7000111.9F355 L357 Y363 G364 Q365 A372 I379 L390F355-L368 HydrophobicContact CB-CD1 3.48Å; F355-L368 VanDerWaalsContact CB-CD1 3.48Å; F355-L368 HydrophobicContact CG-CD1 4.25Å; L357-L368 HydrophobicContact CD1-CD2 4.29Å; L357-L368 HydrophobicContact CD2-CD2 4.28Å; L357-L368 HydrophobicContact CG-CD2 4.44Å; Y363-L368 HydrophobicContact CD2-CD2 4.03Å; Y363-L368 HydrophobicContact CG-CD2 4.23Å; G364-L368 PolarHBondContact O-N 3.23Å; G364-L368 VanDerWaalsContact O-N 3.11Å; Q365-L368 PolarHBondContact O-N 3.09Å; L368-A372 VanDerWaalsContact O-CB 3.28Å; L368-A372 WeakPolarHBondContact O-CB 3.43Å; L368-A372 PolarHBondContact O-N 3.29Å; L368-I379 HydrophobicContact CB-CD1 4.04Å; L368-I379 HydrophobicContact CD2-CD1 4.22Å; L368-I379 HydrophobicContact CD2-CG2 3.63Å; L368-L390 HydrophobicContact CB-CD1 4.32Å
369L92.4Very high91Very high81 Ų8152.3 Ų52.342%0.42432%0.316SS..Hα-helixtrans-65.7-42.3174.9-70.4174000111.8Q365 A372 A373 L390Q365-L369 HydrophobicContact CG-CD1 3.99Å; Q365-L369 HydrophobicContact CG-CG 4.39Å; Q365-L369 WeakPolarHBondContact O-CG 3.49Å; Q365-L369 PolarHBondContact O-N 3.16Å; L369-A372 PolarHBondContact O-N 2.96Å; L369-A373 WeakPolarHBondContact O-CB 3.42Å; L369-A373 PolarHBondContact O-N 3.38Å; L369-L390 HydrophobicContact CD2-CD2 3.79Å
370A92.5Very high90.9Very high46 Ų4651.7 Ų51.738%0.3831%0.314SS..Hα-helixtrans-61.4-47.7175.300000111.6S366 S367 A372 A373 E374S366-A370 WeakPolarHBondContact O-CB 3.45Å; S366-A370 PolarHBondContact O-N 2.99Å; S367-A370 PolarHBondContact O-N 2.98Å; A370-A372 VanDerWaalsContact C-N 3.32Å; A370-A372 PolarHBondContact O-N 2.97Å; A370-A373 PolarHBondContact O-N 3.35Å; A370-E374 PolarHBondContact O-N 3.04Å
371I91.9Very high90.9Very high5 Ų549.3 Ų49.33%0.02629%0.289CS..Hα-helixtrans-61.6-41.5177.3-67.8163.5000111.1Y343 S367 E374 N375 I379 V380 P382Y343-I371 HydrophobicContact CD1-CD1 3.96Å; Y343-I371 HydrophobicContact CD1-CG1 4.39Å; Y343-I371 HydrophobicContact CD2-CD1 4.36Å; Y343-I371 HydrophobicContact CE1-CD1 3.89Å; Y343-I371 HydrophobicContact CE1-CG1 3.84Å; Y343-I371 HydrophobicContact CE2-CD1 4.3Å; Y343-I371 HydrophobicContact CG-CD1 4.17Å; S367-I371 WeakPolarHBondContact O-CB 3.29Å; S367-I371 WeakPolarHBondContact O-CD1 3.49Å; S367-I371 WeakPolarHBondContact O-CG1 3.28Å; S367-I371 PolarHBondContact O-N 2.91Å; I371-E374 PolarHBondContact O-N 2.98Å; I371-N375 WeakPolarHBondContact O-CB 3.22Å; I371-N375 PolarHBondContact O-N 2.85Å; I371-N375 PolarHBondContact O-ND2 3.16Å; I371-I379 HydrophobicContact CG2-CG2 4.33Å; I371-V380 HydrophobicContact CG2-CB 4.49Å; I371-V380 WeakPolarHBondContact CG2-O 3.46Å; I371-P382 HydrophobicContact CD1-CG 3.68Å
372A90.8Very high90.6Very high12 Ų1248.8 Ų48.810%0.09929%0.288CS..Hα-helixtrans-65.6-39.7178.500000111.9L368 L369 A370 E374 N375 G377 I379L368-A372 VanDerWaalsContact O-CB 3.28Å; L368-A372 WeakPolarHBondContact O-CB 3.43Å; L368-A372 PolarHBondContact O-N 3.29Å; L369-A372 PolarHBondContact O-N 2.96Å; A370-A372 VanDerWaalsContact C-N 3.32Å; A370-A372 PolarHBondContact O-N 2.97Å; A372-E374 VanDerWaalsContact C-N 3.27Å; A372-E374 PolarHBondContact O-N 3.28Å; A372-N375 PolarHBondContact O-N 2.82Å; A372-G377 WeakPolarHBondContact O-CA 3.38Å; A372-G377 PolarHBondContact O-N 2.89Å; A372-I379 HydrophobicContact CB-CG1 4.03Å
373A90.4Very high90.2Very high86 Ų8652.1 Ų52.171%0.71130%0.295SS*.Hα-helixtrans-61.9-35.6177.100000112.4L369 A370L369-A373 WeakPolarHBondContact O-CB 3.42Å; L369-A373 PolarHBondContact O-N 3.38Å; A370-A373 PolarHBondContact O-N 3.35Å
374E89.7Confident90Very high144 Ų14454.7 Ų54.767%0.67331%0.31SS*.Hα-helixtrans-77.7-19.1177.9-70175.8-175.500114A370 I371 A372A370-E374 PolarHBondContact O-N 3.04Å; I371-E374 PolarHBondContact O-N 2.98Å; A372-E374 VanDerWaalsContact C-N 3.27Å; A372-E374 PolarHBondContact O-N 3.28Å
375N88.3Confident89.7Confident61 Ų6161.5 Ų61.533%0.32634%0.34SS..THydrogen-bonded Turntrans-122.944.3-171-68.3-81.4000112.7I371 A372 G377 K378 V380I371-N375 WeakPolarHBondContact O-CB 3.22Å; I371-N375 PolarHBondContact O-N 2.85Å; I371-N375 PolarHBondContact O-ND2 3.16Å; A372-N375 PolarHBondContact O-N 2.82Å; N375-G377 VanDerWaalsContact C-N 3.26Å; N375-G377 PolarHBondContact O-N 3.48Å; N375-K378 WeakPolarHBondContact CB-O 3.48Å; N375-K378 PolarHBondContact O-N 3.03Å; N375-V380 HydrophobicContact CB-CG2 3.89Å
376D86.6Confident89.5Confident168 Ų16862.4 Ų62.490%0.89834%0.344SS*.THydrogen-bonded Turntrans53.539.1176.9-60.9-44.2000113.9K378D376-K378 VanDerWaalsContact C-N 3.31Å; D376-K378 PolarHBondContact O-N 3.25Å
377G87.7Confident89.4Confident50 Ų5068.2 Ų68.252%0.51536%0.358SS..THydrogen-bonded Turntrans80.62.3179.700000115A372 N375A372-G377 WeakPolarHBondContact O-CA 3.38Å; A372-G377 PolarHBondContact O-N 2.89Å; N375-G377 VanDerWaalsContact C-N 3.26Å; N375-G377 PolarHBondContact O-N 3.48Å
378K89.8Confident89.4Confident123 Ų12369.7 Ų69.754%0.53536%0.363SS..  trans-100.4136.9174.9-65.6-168.6179.1-174.70111.3N375 D376 V380N375-K378 WeakPolarHBondContact CB-O 3.48Å; N375-K378 PolarHBondContact O-N 3.03Å; D376-K378 VanDerWaalsContact C-N 3.31Å; D376-K378 PolarHBondContact O-N 3.25Å; K378-V380 PolarHBondContact O-N 2.83Å
379I90.4Very high89.3Confident0 Ų072 Ų720%038%0.38CS..EExtended strand (participates in β ladder)trans-82.4115.7175-61.1167.6000108.2L357 L368 I371 A372 R387 Y388 L390L357-I379 HydrophobicContact CD1-CG2 4.19Å; L357-I379 HydrophobicContact CD2-CD1 4.31Å; L357-I379 HydrophobicContact CD2-CG2 4.09Å; L368-I379 HydrophobicContact CB-CD1 4.04Å; L368-I379 HydrophobicContact CD2-CD1 4.22Å; L368-I379 HydrophobicContact CD2-CG2 3.63Å; I371-I379 HydrophobicContact CG2-CG2 4.33Å; A372-I379 HydrophobicContact CB-CG1 4.03Å; I379-R387 CarbonylContact O-C 3.56Å; I379-R387 WeakPolarHBondContact O-CA 3.28Å; I379-Y388 PolarHBondContact N-O 2.89Å; I379-Y388 PolarHBondContact O-N 3.24Å; I379-L390 HydrophobicContact CD1-CB 3.97Å; I379-L390 HydrophobicContact CD1-CD1 3.67Å; I379-L390 HydrophobicContact CD1-CG 4.44Å
380V89.6Confident88.9Confident25 Ų2571.2 Ų71.215%0.15238%0.375CS..EExtended strand (participates in β ladder)trans-93.7113.1169.4-173.70000108.2I371 N375 K378 P382 R387I371-V380 HydrophobicContact CG2-CB 4.49Å; I371-V380 WeakPolarHBondContact CG2-O 3.46Å; N375-V380 HydrophobicContact CB-CG2 3.89Å; K378-V380 PolarHBondContact O-N 2.83Å; V380-P382 VanDerWaalsContact O-CD 3.28Å; V380-P382 WeakPolarHBondContact O-CD 3.29Å; V380-P382 VanDerWaalsContact O-N 3.16Å; V380-R387 HydrophobicContact CG2-CG 4.16Å
381C88.7Confident88.7Confident0 Ų078.4 Ų78.40%040%0.398CS..  trans-58.2121.6179.1-1800000109.9L357 Y363 R383 T384 K385 Q386L357-C381 HydrophobicContact CD1-CB 4.08Å; Y363-C381 PolarHBondContact OH-SG 3.37Å; C381-R383 PolarHBondContact O-N 3.24Å; C381-R383 VanDerWaalsContact O-N 3.16Å; C381-T384 VanDerWaalsContact CB-OG1 3.29Å; C381-T384 WeakPolarHBondContact CB-OG1 3.47Å; C381-T384 PolarHBondContact SG-OG1 3.36Å; C381-K385 VanDerWaalsContact O-CA 3.22Å; C381-K385 WeakPolarHBondContact O-CA 3.48Å; C381-K385 PolarHBondContact O-N 2.91Å; C381-Q386 PolarHBondContact N-O 3.41Å
382P84.6Confident88.7Confident33 Ų3383 Ų8321%0.21442%0.419CS..THydrogen-bonded Turntrans-58.1-33.9-176.8-28.135.2000113.5Y343 Y363 I371 V380 K385Y343-P382 HydrophobicContact CD2-CB 3.73Å; Y343-P382 HydrophobicContact CD2-CG 3.38Å; Y343-P382 HydrophobicContact CE2-CB 4.06Å; Y343-P382 HydrophobicContact CE2-CG 3.76Å; Y343-P382 HydrophobicContact CG-CG 4.07Å; Y363-P382 HydrophobicContact CE1-CG 4.29Å; I371-P382 HydrophobicContact CD1-CG 3.68Å; V380-P382 VanDerWaalsContact O-CD 3.28Å; V380-P382 WeakPolarHBondContact O-CD 3.29Å; V380-P382 VanDerWaalsContact O-N 3.16Å; P382-K385 PolarHBondContact O-NZ 2.86Å
383R82.7Confident88.7Confident130 Ų13082.8 Ų82.849%0.49142%0.418SS..THydrogen-bonded Turntrans-87.4-49.1-175.1-68.8178.8178.2-174.8-6.3113.6A342 Y363 C381A342-R383 VanDerWaalsContact CB-NH2 3.29Å; Y363-R383 WeakPolarHBondContact OH-CD 3.45Å; Y363-R383 WeakPolarHBondContact OH-CG 3.22Å; C381-R383 PolarHBondContact O-N 3.24Å; C381-R383 VanDerWaalsContact O-N 3.16Å
384T87.8Confident88.9Confident55 Ų5584.1 Ų84.134%0.33741%0.413SS..THydrogen-bonded Turntrans-98.5-9.3-174.464.20000113.8N359 M361 C381 Q386N359-T384 PolarHBondContact ND2-OG1 2.94Å; M361-T384 HydrophobicContact CE-CG2 4.21Å; M361-T384 HydrophobicContact CG-CG2 4.5Å; C381-T384 VanDerWaalsContact CB-OG1 3.29Å; C381-T384 WeakPolarHBondContact CB-OG1 3.47Å; C381-T384 PolarHBondContact SG-OG1 3.36Å; T384-Q386 PolarHBondContact O-N 3.37Å; T384-Q386 PolarHBondContact OG1-OE1 3.2Å
385K87.7Confident89.1Confident144 Ų14483 Ų8363%0.62640%0.403SS*.  trans59.97.3-175.1-52.8-57-174-164.80115.4C381 P382C381-K385 VanDerWaalsContact O-CA 3.22Å; C381-K385 WeakPolarHBondContact O-CA 3.48Å; C381-K385 PolarHBondContact O-N 2.91Å; P382-K385 PolarHBondContact O-NZ 2.86Å
386Q91Very high89.2Confident89 Ų8982.3 Ų82.342%0.41640%0.401SS..  trans-69147.8173.3-68.9166.8-33.600110.8N359 C381 T384 Y388N359-Q386 VanDerWaalsContact CB-OE1 3.23Å; N359-Q386 PolarHBondContact ND2-OE1 3.4Å; C381-Q386 PolarHBondContact N-O 3.41Å; T384-Q386 PolarHBondContact O-N 3.37Å; T384-Q386 PolarHBondContact OG1-OE1 3.2Å; Q386-Y388 HydrophobicContact CB-CD2 4.47Å; Q386-Y388 HydrophobicContact CB-CE2 3.52Å; Q386-Y388 WeakPolarHBondContact CB-OH 3.44Å; Q386-Y388 VanDerWaalsContact CD-OH 3.3Å; Q386-Y388 PolarHBondContact OE1-OH 2.85Å
387R90.7Very high89.1Confident177 Ų17781.7 Ų81.767%0.66839%0.39SS*.EExtended strand (participates in β ladder)trans-108.4130.6-175.6-56.8-169.6175.1-176.9-4.9110.5I379 V380I379-R387 CarbonylContact O-C 3.56Å; I379-R387 WeakPolarHBondContact O-CA 3.28Å; V380-R387 HydrophobicContact CG2-CG 4.16Å
388Y91.7Very high88.5Confident34 Ų3483.9 Ų83.913%0.13339%0.393CS..EExtended strand (participates in β ladder)trans-132.9159.3-178.5-60-70.6000111.5L357 P358 N359 I379 Q386 E392L357-Y388 HydrophobicContact CB-CD2 4.31Å; L357-Y388 HydrophobicContact CB-CE2 4.47Å; L357-Y388 HydrophobicContact CD1-CD2 4.26Å; L357-Y388 HydrophobicContact CD2-CD2 4.24Å; P358-Y388 HydrophobicContact CB-CD1 4.13Å; P358-Y388 HydrophobicContact CB-CE1 3.71Å; P358-Y388 HydrophobicContact CG-CD1 3.6Å; P358-Y388 HydrophobicContact CG-CE1 3.73Å; P358-Y388 HydrophobicContact CG-CG 4.28Å; N359-Y388 HydrophobicContact CB-CE2 4.48Å; N359-Y388 WeakPolarHBondContact CB-OH 3.45Å; I379-Y388 PolarHBondContact N-O 2.89Å; I379-Y388 PolarHBondContact O-N 3.24Å; Q386-Y388 HydrophobicContact CB-CD2 4.47Å; Q386-Y388 HydrophobicContact CB-CE2 3.52Å; Q386-Y388 WeakPolarHBondContact CB-OH 3.44Å; Q386-Y388 VanDerWaalsContact CD-OH 3.3Å; Q386-Y388 PolarHBondContact OE1-OH 2.85Å; Y388-E392 VanDerWaalsContact CA-OE2 3.25Å; Y388-E392 WeakPolarHBondContact CA-OE2 3.25Å; Y388-E392 WeakPolarHBondContact CB-OE2 3.33Å; Y388-E392 WeakPolarHBondContact CD1-OE2 3.22Å
389S89.7Confident87.4Confident50 Ų5089.4 Ų89.435%0.3543%0.427SS..  trans-85.7150163.6-173.30000110.1K391 E392S389-K391 PolarHBondContact O-N 3.48Å; S389-K391 VanDerWaalsContact O-N 3.13Å; S389-K391 PolarHBondContact OG-N 3.13Å; S389-E392 PolarHBondContact N-OE2 3.42Å; S389-E392 WeakPolarHBondContact O-CB 3.43Å; S389-E392 PolarHBondContact O-N 2.81Å
390L84.9Confident87.3Confident64 Ų6493.9 Ų93.934%0.33545%0.449SS..G310 helixtrans-57.1-27.1171.3-172.571.1000112.3L368 L369 I379 E392 A393L368-L390 HydrophobicContact CB-CD1 4.32Å; L369-L390 HydrophobicContact CD2-CD2 3.79Å; I379-L390 HydrophobicContact CD1-CB 3.97Å; I379-L390 HydrophobicContact CD1-CD1 3.67Å; I379-L390 HydrophobicContact CD1-CG 4.44Å; L390-E392 PolarHBondContact O-N 2.98Å; L390-A393 PolarHBondContact O-N 3.02Å
391K88.9Confident87.2Confident197 Ų19797.5 Ų97.586%0.85746%0.464SS*.G310 helixtrans-69.7-18.6176.4-65.6-175178.9-178.20114.1S389 A393S389-K391 PolarHBondContact O-N 3.48Å; S389-K391 VanDerWaalsContact O-N 3.13Å; S389-K391 PolarHBondContact OG-N 3.13Å; K391-A393 VanDerWaalsContact C-N 3.35Å
392E90.6Very high87.1Confident100 Ų100102.9 Ų102.947%0.46749%0.49SS..G310 helixtrans-90-6.5177.6-60.7168.6162.100111.7P358 Y388 S389 L390P358-E392 HydrophobicContact CG-CB 3.85Å; P358-E392 WeakPolarHBondContact CG-O 3.39Å; Y388-E392 VanDerWaalsContact CA-OE2 3.25Å; Y388-E392 WeakPolarHBondContact CA-OE2 3.25Å; Y388-E392 WeakPolarHBondContact CB-OE2 3.33Å; Y388-E392 WeakPolarHBondContact CD1-OE2 3.22Å; S389-E392 PolarHBondContact N-OE2 3.42Å; S389-E392 WeakPolarHBondContact O-CB 3.43Å; S389-E392 PolarHBondContact O-N 2.81Å; L390-E392 PolarHBondContact O-N 2.98Å
393A91.4Very high87.2Confident9 Ų9107 Ų1077%0.07451%0.506CS..PPolyproline II helixtrans-90.6127.7177.400000110.2F355 V356 L357 L390 K391F355-A393 HydrophobicContact CB-CB 4.42Å; F355-A393 HydrophobicContact CD1-CB 4.1Å; V356-A393 CarbonylContact O-C 3.46Å; V356-A393 VanDerWaalsContact O-CA 3.29Å; V356-A393 WeakPolarHBondContact O-CA 3.31Å; L357-A393 HydrophobicContact CD2-CB 3.98Å; L390-A393 PolarHBondContact O-N 3.02Å; K391-A393 VanDerWaalsContact C-N 3.35Å
394D94.5Very high87.5Confident113 Ų113105.6 Ų105.660%0.60451%0.507SS*.EExtended strand (participates in β ladder)trans-96.4140.1178.5-72.3-46.8000111F355 V356 V396F355-D394 CarbonylContact C-O 3.17Å; F355-D394 VanDerWaalsContact CA-O 3.26Å; F355-D394 WeakPolarHBondContact CA-O 3.22Å; V356-D394 HydrophobicContact CG1-CB 3.9Å; V356-D394 PolarHBondContact N-O 2.79Å; V356-D394 PolarHBondContact O-N 3.21Å; D394-V396 PolarHBondContact O-N 3.23Å
395R93Very high87.5Confident121 Ų121108.9 Ų108.946%0.45752%0.519SS..EExtended strand (participates in β ladder)trans-73129.6175.2-172.9176.2-179.2173.63.2109.8P353 F355 F397P353-R395 HydrophobicContact CB-CG 4.49Å; F355-R395 HydrophobicContact CD1-CB 4.22Å; F355-R395 HydrophobicContact CE1-CB 3.79Å; F355-R395 HydrophobicContact CE1-CG 4.5Å; F355-R395 HydrophobicContact CE2-CB 4.48Å; F355-R395 HydrophobicContact CE2-CG 4.33Å; F355-R395 HydrophobicContact CZ-CB 3.94Å; F355-R395 HydrophobicContact CZ-CG 4.2Å; R395-F397 HydrophobicContact CB-CE2 4.39Å; R395-F397 HydrophobicContact CG-CE2 4.37Å; R395-F397 HydrophobicContact CG-CZ 4.28Å
396V90.5Very high87.5Confident47 Ų47106.4 Ų106.429%0.28551%0.511SS..PPolyproline II helixtrans-91.4132.6176.3-1780000109.3P354 V356 D394 V398P354-V396 HydrophobicContact CB-CB 4.13Å; P354-V396 HydrophobicContact CG-CB 4.03Å; P354-V396 PolarHBondContact O-N 3.39Å; V356-V396 HydrophobicContact CB-CG2 3.69Å; V356-V396 HydrophobicContact CG1-CG2 3.81Å; D394-V396 PolarHBondContact O-N 3.23Å; V396-V398 HydrophobicContact CG1-CG2 4.25Å
397F86.1Confident87.2Confident155 Ų155107.8 Ų107.868%0.6852%0.518SS*.  trans-106.2124.3173.5-63.7-88.5000109.1R395R395-F397 HydrophobicContact CB-CE2 4.39Å; R395-F397 HydrophobicContact CG-CE2 4.37Å; R395-F397 HydrophobicContact CG-CZ 4.28Å
398V74Confident86.9Confident96 Ų96102 Ų10258%0.58251%0.506SS*.  trans-109.2109.2-179.9-176.90000105.8L339 P354 V396L339-V398 HydrophobicContact CD1-CB 4.18Å; L339-V398 HydrophobicContact CD1-CG1 3.91Å; L339-V398 HydrophobicContact CD1-CG2 3.53Å; P354-V398 HydrophobicContact CG-CG2 4.31Å; V396-V398 HydrophobicContact CG1-CG2 4.25Å
399L67.5Low86.5Confident238 Ų238108.2 Ų108.2100%1.24654%0.54SS*.  trans-84.10-178-71.3169.5000111.9

Retrieved 399 of 399 residues in 158.9 ms (Link to these results)

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