A0A061I302_CRIGR Loading...

Clusterin-associated protein 1

AlphaFold DB , UniProt , Accession A0A061I302, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Cluap1, Length 413 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
1M62.4Low84.6Confident78 Ų7875.2 Ų75.238%0.38435%0.345SS..  0149.30-176.7-175.4-170.300109.4D5 L6 G91 V94M1-D5 HydrophobicContact CE-CB 3.92Å; M1-L6 VanDerWaalsContact CE-CA 3.49Å; M1-L6 HydrophobicContact CE-CB 3.36Å; M1-L6 HydrophobicContact CE-CD1 3.98Å; M1-L6 HydrophobicContact CE-CD2 4.35Å; M1-L6 HydrophobicContact CE-CG 4.06Å; M1-L6 HydrophobicContact SD-CB 3.98Å; M1-L6 HydrophobicContact SD-CD2 4.08Å; M1-L6 HydrophobicContact SD-CG 4.44Å; M1-G91 WeakPolarHBondContact CG-O 3.32Å; M1-G91 WeakPolarHBondContact SD-CA 3.22Å; M1-V94 HydrophobicContact CE-CB 3.4Å; M1-V94 VanDerWaalsContact CE-CB 3.4Å; M1-V94 HydrophobicContact CE-CG1 3.41Å; M1-V94 VanDerWaalsContact CE-CG1 3.41Å; M1-V94 HydrophobicContact CE-CG2 3.84Å; M1-V94 HydrophobicContact SD-CB 4.46Å; M1-V94 HydrophobicContact SD-CG2 4.45Å
2S76.1Confident85.3Confident57 Ų5771.7 Ų71.740%0.39933%0.33SS..  trans-86135.9167.9-176.40000110.8R4 D5 L6S2-R4 PolarHBondContact O-N 3.19Å; S2-R4 PolarHBondContact OG-N 3.38Å; S2-D5 WeakPolarHBondContact CB-OD2 3.48Å; S2-D5 PolarHBondContact N-OD2 3.14Å; S2-D5 WeakPolarHBondContact O-CB 3.31Å; S2-D5 PolarHBondContact O-N 3.04Å; S2-L6 PolarHBondContact O-N 3.01Å
3F79.5Confident85.9Confident152 Ų15266.3 Ų66.367%0.66731%0.305SS*.Hα-helixtrans-53.8-35.1173.9179.6-91.1000112.1D5 L6 R7 M24F3-D5 PolarHBondContact O-N 3.27Å; F3-L6 PolarHBondContact O-N 3.46Å; F3-R7 PolarHBondContact O-N 2.94Å; F3-M24 HydrophobicContact CD2-CE 3.48Å; F3-M24 VanDerWaalsContact CD2-CE 3.48Å; F3-M24 HydrophobicContact CE2-CE 3.46Å; F3-M24 VanDerWaalsContact CE2-CE 3.46Å; F3-M24 HydrophobicContact CG-CE 4.05Å; F3-M24 HydrophobicContact CZ-CE 4Å
4R85.2Confident86.3Confident183 Ų18373.6 Ų73.669%0.69133%0.329SS*.Hα-helixtrans-63.3-38.4176.4-172.1173.7-175.5157.7-0.2112.7S2 N8S2-R4 PolarHBondContact O-N 3.19Å; S2-R4 PolarHBondContact OG-N 3.38Å; R4-N8 WeakPolarHBondContact O-CB 3.38Å; R4-N8 PolarHBondContact O-N 3.15Å; R4-N8 PolarHBondContact O-ND2 3.06Å; R4-N8 PolarHBondContact O-OD1 3.08Å
5D86.8Confident86.6Confident36 Ų3672 Ų7219%0.19333%0.334CS..Hα-helixtrans-64.2-44.4179.8-57.3-24.5000110.2M1 S2 F3 N8 F9 K95 L98M1-D5 HydrophobicContact CE-CB 3.92Å; S2-D5 WeakPolarHBondContact CB-OD2 3.48Å; S2-D5 PolarHBondContact N-OD2 3.14Å; S2-D5 WeakPolarHBondContact O-CB 3.31Å; S2-D5 PolarHBondContact O-N 3.04Å; F3-D5 PolarHBondContact O-N 3.27Å; D5-N8 PolarHBondContact O-N 3.22Å; D5-F9 WeakPolarHBondContact O-CB 3.43Å; D5-F9 PolarHBondContact O-N 2.97Å; D5-K95 WeakPolarHBondContact OD2-CE 3.4Å; D5-K95 IonicContact OD2-NZ 2.68Å; D5-L98 HydrophobicContact CB-CD1 3.86Å
6L87.4Confident86.9Confident9 Ų967.9 Ų67.95%0.04732%0.315CS..Hα-helixtrans-68.3-43.1-177.2-167.244000111.4M1 S2 F3 F9 T10 M24 F27 V94M1-L6 VanDerWaalsContact CE-CA 3.49Å; M1-L6 HydrophobicContact CE-CB 3.36Å; M1-L6 HydrophobicContact CE-CD1 3.98Å; M1-L6 HydrophobicContact CE-CD2 4.35Å; M1-L6 HydrophobicContact CE-CG 4.06Å; M1-L6 HydrophobicContact SD-CB 3.98Å; M1-L6 HydrophobicContact SD-CD2 4.08Å; M1-L6 HydrophobicContact SD-CG 4.44Å; S2-L6 PolarHBondContact O-N 3.01Å; F3-L6 PolarHBondContact O-N 3.46Å; L6-F9 HydrophobicContact CD1-CD1 4.25Å; L6-F9 PolarHBondContact O-N 3.35Å; L6-T10 HydrophobicContact CD1-CG2 4.36Å; L6-T10 WeakPolarHBondContact O-CG2 3.18Å; L6-T10 PolarHBondContact O-N 2.85Å; L6-T10 PolarHBondContact O-OG1 2.84Å; L6-M24 HydrophobicContact CB-CE 3.76Å; L6-M24 HydrophobicContact CB-SD 3.87Å; L6-M24 HydrophobicContact CD2-CB 4.14Å; L6-M24 HydrophobicContact CD2-CE 4Å; L6-M24 VanDerWaalsContact CD2-O 3.3Å; L6-M24 WeakPolarHBondContact CD2-O 3.38Å; L6-M24 HydrophobicContact CD2-SD 3.95Å; L6-M24 HydrophobicContact CG-CE 3.96Å; L6-M24 HydrophobicContact CG-SD 3.56Å; L6-M24 VanDerWaalsContact CG-SD 3.56Å; L6-F27 HydrophobicContact CD1-CD2 3.58Å; L6-F27 HydrophobicContact CD1-CE2 4.07Å; L6-F27 HydrophobicContact CD1-CG 4.3Å; L6-F27 HydrophobicContact CD2-CB 4.41Å; L6-V94 HydrophobicContact CD1-CG1 4.09Å; L6-V94 HydrophobicContact CD1-CG2 4.02Å
7R87.8Confident87.1Confident133 Ų13366.8 Ų66.850%0.50233%0.326SS..Hα-helixtrans-61.7-47.4176.2-179.1177.1172.1172.90.1111.9F3 F9 T10 E11 M24F3-R7 PolarHBondContact O-N 2.94Å; R7-F9 VanDerWaalsContact C-N 3.27Å; R7-F9 PolarHBondContact O-N 3.46Å; R7-T10 PolarHBondContact O-N 2.82Å; R7-T10 PolarHBondContact O-OG1 3.11Å; R7-T10 VanDerWaalsContact O-OG1 3.09Å; R7-E11 HydrophobicContact CG-CG 4.48Å; R7-E11 WeakPolarHBondContact CG-OE1 3.34Å; R7-E11 IonicContact CZ-OE1 2.61Å; R7-E11 IonicContact NE-OE1 3.37Å; R7-E11 PolarHBondContact NE-OE1 3.17Å; R7-E11 IonicContact NH2-OE1 2.6Å; R7-E11 PolarHBondContact NH2-OE1 3.12Å; R7-E11 WeakPolarHBondContact O-CB 3.49Å; R7-E11 WeakPolarHBondContact O-CG 3.47Å; R7-E11 PolarHBondContact O-N 3.46Å; R7-M24 HydrophobicContact CB-SD 4.48Å
8N89.7Confident87.5Confident58 Ų5863.9 Ų63.931%0.3131%0.312SS..Hα-helixtrans-59.2-42.2176.4-71.3-4.1000111.1R4 D5 M12R4-N8 WeakPolarHBondContact O-CB 3.38Å; R4-N8 PolarHBondContact O-N 3.15Å; R4-N8 PolarHBondContact O-ND2 3.06Å; R4-N8 PolarHBondContact O-OD1 3.08Å; D5-N8 PolarHBondContact O-N 3.22Å; N8-M12 WeakPolarHBondContact O-CB 3.39Å; N8-M12 VanDerWaalsContact O-CG 3.23Å; N8-M12 WeakPolarHBondContact O-CG 3.36Å; N8-M12 PolarHBondContact O-N 3.24Å
9F93.6Very high87.4Confident0 Ų066.4 Ų66.40%033%0.333CS..Hα-helixtrans-62.6-48.3178.8174.3-113.3000112.3D5 L6 R7 M12 M13 I22 F27 V38 V94 L97 L98 T101D5-F9 WeakPolarHBondContact O-CB 3.43Å; D5-F9 PolarHBondContact O-N 2.97Å; L6-F9 HydrophobicContact CD1-CD1 4.25Å; L6-F9 PolarHBondContact O-N 3.35Å; R7-F9 VanDerWaalsContact C-N 3.27Å; R7-F9 PolarHBondContact O-N 3.46Å; F9-M12 PolarHBondContact O-N 2.91Å; F9-M13 HydrophobicContact CD2-CG 3.83Å; F9-M13 HydrophobicContact CE1-CG 4.22Å; F9-M13 HydrophobicContact CE2-CG 3.33Å; F9-M13 HydrophobicContact CE2-SD 3.76Å; F9-M13 HydrophobicContact CG-CG 4.42Å; F9-M13 HydrophobicContact CZ-CE 4.38Å; F9-M13 HydrophobicContact CZ-CG 3.55Å; F9-M13 HydrophobicContact CZ-SD 4.12Å; F9-M13 WeakPolarHBondContact O-CB 3.38Å; F9-M13 VanDerWaalsContact O-CG 3.25Å; F9-M13 WeakPolarHBondContact O-CG 3.4Å; F9-M13 PolarHBondContact O-N 3.43Å; F9-I22 HydrophobicContact CE1-CD1 3.76Å; F9-I22 HydrophobicContact CE1-CG2 4.3Å; F9-I22 HydrophobicContact CZ-CD1 3.98Å; F9-F27 HydrophobicContact CD1-CE2 4.42Å; F9-F27 AromaticContact CE1-CE2 3.97Å; F9-F27 HydrophobicContact CE1-CE2 3.97Å; F9-F27 AromaticContact CE1-CZ 3.94Å; F9-F27 HydrophobicContact CE1-CZ 3.94Å; F9-V38 HydrophobicContact CZ-CG1 3.99Å; F9-V94 HydrophobicContact CB-CG1 3.64Å; F9-V94 HydrophobicContact CD1-CG1 3.67Å; F9-V94 HydrophobicContact CD2-CG1 4.39Å; F9-V94 HydrophobicContact CE1-CG1 4.47Å; F9-V94 HydrophobicContact CG-CG1 3.63Å; F9-L97 HydrophobicContact CD2-CB 4.21Å; F9-L97 HydrophobicContact CE1-CD1 4.16Å; F9-L97 HydrophobicContact CE2-CB 3.67Å; F9-L97 HydrophobicContact CE2-CD1 4.23Å; F9-L97 HydrophobicContact CZ-CB 4.07Å; F9-L97 HydrophobicContact CZ-CD1 3.73Å; F9-L98 HydrophobicContact CB-CD1 4.49Å; F9-L98 HydrophobicContact CB-CD2 3.75Å; F9-L98 HydrophobicContact CB-CG 3.94Å; F9-L98 HydrophobicContact CD2-CD2 4.28Å; F9-L98 HydrophobicContact CD2-CG 4.33Å; F9-T101 HydrophobicContact CD2-CG2 4.28Å; F9-T101 HydrophobicContact CE2-CG2 4.42Å; F9-T101 WeakPolarHBondContact CE2-OG1 3.31Å
10T91.1Very high87.6Confident25 Ų2568.8 Ų68.815%0.15334%0.338CS..Hα-helixtrans-66.7-38.6179.956.10000112.5L6 R7 R14 I22L6-T10 HydrophobicContact CD1-CG2 4.36Å; L6-T10 WeakPolarHBondContact O-CG2 3.18Å; L6-T10 PolarHBondContact O-N 2.85Å; L6-T10 PolarHBondContact O-OG1 2.84Å; R7-T10 PolarHBondContact O-N 2.82Å; R7-T10 PolarHBondContact O-OG1 3.11Å; R7-T10 VanDerWaalsContact O-OG1 3.09Å; T10-R14 WeakPolarHBondContact O-CB 3.41Å; T10-R14 PolarHBondContact O-N 2.92Å; T10-I22 HydrophobicContact CG2-CB 3.92Å; T10-I22 HydrophobicContact CG2-CG2 3.63Å; T10-I22 WeakPolarHBondContact CG2-O 3.43Å
11E90.9Very high87.5Confident96 Ų9671.5 Ų71.545%0.44935%0.349SS..Hα-helixtrans-63.9-45174-72.3177.3-175.300111.9R7 A15R7-E11 HydrophobicContact CG-CG 4.48Å; R7-E11 WeakPolarHBondContact CG-OE1 3.34Å; R7-E11 IonicContact CZ-OE1 2.61Å; R7-E11 IonicContact NE-OE1 3.37Å; R7-E11 PolarHBondContact NE-OE1 3.17Å; R7-E11 IonicContact NH2-OE1 2.6Å; R7-E11 PolarHBondContact NH2-OE1 3.12Å; R7-E11 WeakPolarHBondContact O-CB 3.49Å; R7-E11 WeakPolarHBondContact O-CG 3.47Å; R7-E11 PolarHBondContact O-N 3.46Å; E11-A15 WeakPolarHBondContact O-CB 3.35Å; E11-A15 PolarHBondContact O-N 3.32Å
12M92.9Very high88.9Confident33 Ų3368.3 Ų68.316%0.16333%0.334CS..Hα-helixtrans-67.5-42177.8-71.6179.6176.700112.9N8 F9 A15 L16 L98 T101 Y105N8-M12 WeakPolarHBondContact O-CB 3.39Å; N8-M12 VanDerWaalsContact O-CG 3.23Å; N8-M12 WeakPolarHBondContact O-CG 3.36Å; N8-M12 PolarHBondContact O-N 3.24Å; F9-M12 PolarHBondContact O-N 2.91Å; M12-A15 PolarHBondContact O-N 2.88Å; M12-L16 WeakPolarHBondContact O-CB 3.49Å; M12-L16 WeakPolarHBondContact O-CG 3.17Å; M12-L16 PolarHBondContact O-N 3.28Å; M12-L98 HydrophobicContact SD-CD2 4.32Å; M12-T101 HydrophobicContact CB-CG2 3.65Å; M12-T101 HydrophobicContact SD-CG2 4.5Å; M12-Y105 HydrophobicContact CB-CD2 4.06Å; M12-Y105 HydrophobicContact CB-CG 4.11Å; M12-Y105 HydrophobicContact CE-CD1 3.82Å; M12-Y105 HydrophobicContact CE-CE1 4.06Å; M12-Y105 HydrophobicContact CG-CD1 3.82Å; M12-Y105 HydrophobicContact CG-CD2 3.98Å; M12-Y105 HydrophobicContact CG-CE1 4.08Å; M12-Y105 HydrophobicContact CG-CE2 4.25Å; M12-Y105 HydrophobicContact CG-CG 3.75Å; M12-Y105 HydrophobicContact SD-CD1 4.07Å; M12-Y105 HydrophobicContact SD-CG 4.24Å
13M93.4Very high89.4Confident2 Ų267.2 Ų67.21%0.0133%0.326CS..Hα-helixtrans-62.9-42177.2-73.9-65.2-7300111.8F9 L16 G17 Y18 I22 V38 W41 L42 T101F9-M13 HydrophobicContact CD2-CG 3.83Å; F9-M13 HydrophobicContact CE1-CG 4.22Å; F9-M13 HydrophobicContact CE2-CG 3.33Å; F9-M13 HydrophobicContact CE2-SD 3.76Å; F9-M13 HydrophobicContact CG-CG 4.42Å; F9-M13 HydrophobicContact CZ-CE 4.38Å; F9-M13 HydrophobicContact CZ-CG 3.55Å; F9-M13 HydrophobicContact CZ-SD 4.12Å; F9-M13 WeakPolarHBondContact O-CB 3.38Å; F9-M13 VanDerWaalsContact O-CG 3.25Å; F9-M13 WeakPolarHBondContact O-CG 3.4Å; F9-M13 PolarHBondContact O-N 3.43Å; M13-L16 PolarHBondContact O-N 2.84Å; M13-G17 PolarHBondContact O-N 3.35Å; M13-Y18 HydrophobicContact CE-CD1 3.82Å; M13-Y18 HydrophobicContact CE-CD2 3.73Å; M13-Y18 HydrophobicContact CE-CE1 4.32Å; M13-Y18 HydrophobicContact CE-CE2 4.3Å; M13-Y18 HydrophobicContact CE-CG 3.48Å; M13-Y18 VanDerWaalsContact CE-CG 3.48Å; M13-Y18 WeakPolarHBondContact O-CB 3.44Å; M13-Y18 PolarHBondContact O-N 3.23Å; M13-I22 HydrophobicContact CB-CD1 4.12Å; M13-I22 HydrophobicContact CE-CD1 4.2Å; M13-I22 HydrophobicContact CG-CD1 4.08Å; M13-V38 HydrophobicContact CE-CB 4.45Å; M13-V38 HydrophobicContact CE-CG1 3.78Å; M13-V38 HydrophobicContact CE-CG2 4.12Å; M13-W41 HydrophobicContact CE-CE3 4.08Å; M13-W41 HydrophobicContact CE-CZ3 4.18Å; M13-W41 HydrophobicContact SD-CZ3 4.43Å; M13-L42 HydrophobicContact CE-CD2 4.48Å; M13-L42 HydrophobicContact CE-CG 4.44Å; M13-L42 HydrophobicContact SD-CD1 4.39Å; M13-L42 HydrophobicContact SD-CD2 3.88Å; M13-L42 HydrophobicContact SD-CG 4.34Å; M13-T101 HydrophobicContact CG-CG2 4.01Å; M13-T101 HydrophobicContact SD-CG2 3.75Å
14R91.2Very high89.3Confident169 Ų16963.2 Ų63.264%0.63831%0.31SS*.Hα-helixtrans-59.8-46.6173.7-176.1-177.5-66.9-159.2-1.9111.1T10 L16 G17 H21T10-R14 WeakPolarHBondContact O-CB 3.41Å; T10-R14 PolarHBondContact O-N 2.92Å; R14-L16 PolarHBondContact O-N 2.76Å; R14-G17 PolarHBondContact O-N 2.92Å; R14-G17 VanDerWaalsContact O-N 3.15Å; R14-H21 PolarHBondContact NH2-NE2 3.41Å; R14-H21 VanDerWaalsContact NH2-NE2 3.12Å
15A90.7Very high89.3Confident49 Ų4961.4 Ų61.441%0.40531%0.31SS..Hα-helixtrans-66.7-33.9-18000000113.3E11 M12 G17 Y105 M108E11-A15 WeakPolarHBondContact O-CB 3.35Å; E11-A15 PolarHBondContact O-N 3.32Å; M12-A15 PolarHBondContact O-N 2.88Å; A15-G17 PolarHBondContact O-N 2.95Å; A15-Y105 HydrophobicContact CB-CD2 4.05Å; A15-Y105 HydrophobicContact CB-CE2 3.57Å; A15-M108 HydrophobicContact CB-CE 4.16Å; A15-M108 WeakPolarHBondContact O-CE 3.32Å
16L91.4Very high89.4Confident6 Ų662 Ų623%0.03131%0.313CS..THydrogen-bonded Turntrans-70-10.3174.1-77170000113.9M12 M13 R14 W41 R45 T101 L104 Y105 M108M12-L16 WeakPolarHBondContact O-CB 3.49Å; M12-L16 WeakPolarHBondContact O-CG 3.17Å; M12-L16 PolarHBondContact O-N 3.28Å; M13-L16 PolarHBondContact O-N 2.84Å; R14-L16 PolarHBondContact O-N 2.76Å; L16-W41 HydrophobicContact CB-CH2 3.87Å; L16-W41 HydrophobicContact CB-CZ3 4.29Å; L16-R45 PolarHBondContact O-NH2 3.2Å; L16-T101 HydrophobicContact CD1-CG2 3.78Å; L16-L104 HydrophobicContact CD1-CB 4.01Å; L16-L104 HydrophobicContact CD2-CB 4Å; L16-Y105 HydrophobicContact CG-CD2 4.49Å; L16-M108 HydrophobicContact CD2-CB 4.27Å; L16-M108 HydrophobicContact CD2-CE 4.39Å; L16-M108 HydrophobicContact CD2-SD 3.99Å
17G91Very high89.5Confident49 Ų4962 Ų6251%0.50531%0.312SS..THydrogen-bonded Turntrans87.128179.400000114.4M13 R14 A15M13-G17 PolarHBondContact O-N 3.35Å; R14-G17 PolarHBondContact O-N 2.92Å; R14-G17 VanDerWaalsContact O-N 3.15Å; A15-G17 PolarHBondContact O-N 2.95Å
18Y93.7Very high89.6Confident16 Ų1666.2 Ų66.26%0.06333%0.328CS..  trans-66.2126.1173.7179.3-113.8000110.4M13 R20 I22 E37 V38 W41M13-Y18 HydrophobicContact CE-CD1 3.82Å; M13-Y18 HydrophobicContact CE-CD2 3.73Å; M13-Y18 HydrophobicContact CE-CE1 4.32Å; M13-Y18 HydrophobicContact CE-CE2 4.3Å; M13-Y18 HydrophobicContact CE-CG 3.48Å; M13-Y18 VanDerWaalsContact CE-CG 3.48Å; M13-Y18 WeakPolarHBondContact O-CB 3.44Å; M13-Y18 PolarHBondContact O-N 3.23Å; Y18-R20 HydrophobicContact CD1-CB 4.41Å; Y18-R20 WeakPolarHBondContact CD1-O 3.4Å; Y18-R20 HydrophobicContact CE1-CB 3.66Å; Y18-R20 VanDerWaalsContact CE1-O 3.23Å; Y18-R20 WeakPolarHBondContact CE1-O 3.41Å; Y18-R20 PolarHBondContact O-N 2.94Å; Y18-I22 HydrophobicContact CD1-CD1 3.74Å; Y18-I22 HydrophobicContact CD1-CG1 3.89Å; Y18-I22 HydrophobicContact CE1-CD1 3.57Å; Y18-I22 HydrophobicContact CE1-CG1 3.56Å; Y18-E37 PolarHBondContact OH-OE1 2.87Å; Y18-V38 HydrophobicContact CE1-CG2 4.02Å; Y18-V38 HydrophobicContact CE2-CG2 4.17Å; Y18-W41 HydrophobicContact CD2-CB 4.23Å; Y18-W41 AromaticContact CD2-CD2 3.59Å; Y18-W41 HydrophobicContact CD2-CD2 3.59Å; Y18-W41 AromaticContact CD2-CE2 3.93Å; Y18-W41 AromaticContact CD2-CE3 3.9Å; Y18-W41 HydrophobicContact CD2-CE3 3.9Å; Y18-W41 AromaticContact CD2-CG 3.71Å; Y18-W41 HydrophobicContact CD2-CG 3.71Å; Y18-W41 HydrophobicContact CD2-CZ3 4.48Å; Y18-W41 HydrophobicContact CE2-CB 4.12Å; Y18-W41 HydrophobicContact CE2-CD2 4.37Å; Y18-W41 HydrophobicContact CE2-CG 4.05Å
19P86.6Confident89.5Confident110 Ų11067 Ų6771%0.71434%0.338SS*.SBendtrans-76.2-23.7-165.528.1-36.4000114.7
20R89.9Confident89.5Confident115 Ų11571.7 Ų71.743%0.43437%0.369SS..SBendtrans-93.1134.3-177-177.4178-178.3170.43.3110.7Y18 I22 E37Y18-R20 HydrophobicContact CD1-CB 4.41Å; Y18-R20 WeakPolarHBondContact CD1-O 3.4Å; Y18-R20 HydrophobicContact CE1-CB 3.66Å; Y18-R20 VanDerWaalsContact CE1-O 3.23Å; Y18-R20 WeakPolarHBondContact CE1-O 3.41Å; Y18-R20 PolarHBondContact O-N 2.94Å; R20-I22 PolarHBondContact O-N 3.45Å; R20-E37 VanDerWaalsContact CD-OE2 3.31Å; R20-E37 WeakPolarHBondContact CD-OE2 3.48Å; R20-E37 IonicContact CZ-OE2 3.46Å; R20-E37 IonicContact NE-OE2 3.76Å; R20-E37 IonicContact NH1-OE2 3.15Å; R20-E37 PolarHBondContact NH1-OE2 3.29Å
21H86.8Confident89.6Confident125 Ų12572.7 Ų72.758%0.57937%0.373SS*.PPolyproline II helixtrans-70.4117.1176.4-174.3-77.4000111.1R14R14-H21 PolarHBondContact NH2-NE2 3.41Å; R14-H21 VanDerWaalsContact NH2-NE2 3.12Å
22I90.4Very high89.8Confident11 Ų1169.3 Ų69.36%0.05636%0.357CS..PPolyproline II helixtrans-93.7120.6173.5-52.9-178.9000109.2F9 T10 M13 Y18 R20 F27 L34 V38F9-I22 HydrophobicContact CE1-CD1 3.76Å; F9-I22 HydrophobicContact CE1-CG2 4.3Å; F9-I22 HydrophobicContact CZ-CD1 3.98Å; T10-I22 HydrophobicContact CG2-CB 3.92Å; T10-I22 HydrophobicContact CG2-CG2 3.63Å; T10-I22 WeakPolarHBondContact CG2-O 3.43Å; M13-I22 HydrophobicContact CB-CD1 4.12Å; M13-I22 HydrophobicContact CE-CD1 4.2Å; M13-I22 HydrophobicContact CG-CD1 4.08Å; Y18-I22 HydrophobicContact CD1-CD1 3.74Å; Y18-I22 HydrophobicContact CD1-CG1 3.89Å; Y18-I22 HydrophobicContact CE1-CD1 3.57Å; Y18-I22 HydrophobicContact CE1-CG1 3.56Å; R20-I22 PolarHBondContact O-N 3.45Å; I22-F27 HydrophobicContact CG2-CD2 4.42Å; I22-F27 HydrophobicContact CG2-CE2 3.62Å; I22-L34 HydrophobicContact CG2-CD2 4.46Å; I22-V38 HydrophobicContact CD1-CG2 4.05Å
23S86.9Confident89.8Confident34 Ų3469.4 Ų69.424%0.23837%0.367CS..PPolyproline II helixtrans-98.2165173.892.30000112.2E25 N26S23-E25 PolarHBondContact O-N 2.82Å; S23-E25 PolarHBondContact OG-N 2.83Å; S23-E25 VanDerWaalsContact OG-N 3.11Å; S23-N26 PolarHBondContact N-OD1 3.46Å; S23-N26 PolarHBondContact O-N 3.47Å; S23-N26 PolarHBondContact OG-N 2.93Å; S23-N26 PolarHBondContact OG-OD1 2.97Å
24M78.7Confident89.8Confident69 Ų6969.3 Ų69.334%0.3437%0.366SS..SBendtrans-65.3-22.8174.1-59.2-69.3-71.500112.7F3 L6 R7F3-M24 HydrophobicContact CD2-CE 3.48Å; F3-M24 VanDerWaalsContact CD2-CE 3.48Å; F3-M24 HydrophobicContact CE2-CE 3.46Å; F3-M24 VanDerWaalsContact CE2-CE 3.46Å; F3-M24 HydrophobicContact CG-CE 4.05Å; F3-M24 HydrophobicContact CZ-CE 4Å; L6-M24 HydrophobicContact CB-CE 3.76Å; L6-M24 HydrophobicContact CB-SD 3.87Å; L6-M24 HydrophobicContact CD2-CB 4.14Å; L6-M24 HydrophobicContact CD2-CE 4Å; L6-M24 VanDerWaalsContact CD2-O 3.3Å; L6-M24 WeakPolarHBondContact CD2-O 3.38Å; L6-M24 HydrophobicContact CD2-SD 3.95Å; L6-M24 HydrophobicContact CG-CE 3.96Å; L6-M24 HydrophobicContact CG-SD 3.56Å; L6-M24 VanDerWaalsContact CG-SD 3.56Å; R7-M24 HydrophobicContact CB-SD 4.48Å
25E85.3Confident90Very high145 Ų14561.3 Ų61.368%0.67834%0.336SS*.G310 helixtrans-82.8-25.9-175.9-169.5163.9-150.500112.2S23 F27 R28S23-E25 PolarHBondContact O-N 2.82Å; S23-E25 PolarHBondContact OG-N 2.83Å; S23-E25 VanDerWaalsContact OG-N 3.11Å; E25-F27 PolarHBondContact O-N 3.27Å; E25-R28 WeakPolarHBondContact O-CB 3.32Å; E25-R28 PolarHBondContact O-N 3.46Å
26N88.2Confident90.2Very high48 Ų4859.2 Ų59.226%0.25732%0.319SS..G310 helixtrans-63-12.9-177.2-63.2133.1000115.3S23 N31 L34S23-N26 PolarHBondContact N-OD1 3.46Å; S23-N26 PolarHBondContact O-N 3.47Å; S23-N26 PolarHBondContact OG-N 2.93Å; S23-N26 PolarHBondContact OG-OD1 2.97Å; N26-N31 VanDerWaalsContact O-CB 3.27Å; N26-N31 WeakPolarHBondContact O-CB 3.37Å; N26-N31 PolarHBondContact O-ND2 2.91Å; N26-L34 HydrophobicContact CB-CD2 3.55Å
27F90Very high90.3Very high8 Ų862.2 Ų62.24%0.03533%0.332CS..G310 helixtrans-116.99.3177.2-65.5-82.6000113.4L6 F9 I22 E25 S29 L34 V35 G91 V94 L97L6-F27 HydrophobicContact CD1-CD2 3.58Å; L6-F27 HydrophobicContact CD1-CE2 4.07Å; L6-F27 HydrophobicContact CD1-CG 4.3Å; L6-F27 HydrophobicContact CD2-CB 4.41Å; F9-F27 HydrophobicContact CD1-CE2 4.42Å; F9-F27 AromaticContact CE1-CE2 3.97Å; F9-F27 HydrophobicContact CE1-CE2 3.97Å; F9-F27 AromaticContact CE1-CZ 3.94Å; F9-F27 HydrophobicContact CE1-CZ 3.94Å; I22-F27 HydrophobicContact CG2-CD2 4.42Å; I22-F27 HydrophobicContact CG2-CE2 3.62Å; E25-F27 PolarHBondContact O-N 3.27Å; F27-S29 VanDerWaalsContact C-N 3.32Å; F27-L34 HydrophobicContact CE2-CD2 4.05Å; F27-L34 HydrophobicContact CZ-CD2 4.01Å; F27-L34 HydrophobicContact CZ-CG 4.48Å; F27-V35 HydrophobicContact CE1-CG2 3.71Å; F27-G91 PolarHBondContact O-N 3.47Å; F27-G91 VanDerWaalsContact O-N 3.07Å; F27-V94 HydrophobicContact CB-CG2 4.19Å; F27-V94 HydrophobicContact CD1-CG2 3.37Å; F27-V94 HydrophobicContact CD2-CG2 3.86Å; F27-V94 HydrophobicContact CE1-CG2 3.54Å; F27-V94 HydrophobicContact CE2-CG2 3.99Å; F27-V94 HydrophobicContact CG-CG2 3.53Å; F27-V94 HydrophobicContact CZ-CG2 3.85Å; F27-L97 HydrophobicContact CE1-CD1 4.21Å; F27-L97 HydrophobicContact CZ-CD1 4.17Å
28R88.5Confident90.5Very high223 Ų22359.9 Ų59.984%0.84231%0.308SS*.THydrogen-bonded Turntrans-75.4-26.3176-165.9172.4-174.6127.71.4111.8E25E25-R28 WeakPolarHBondContact O-CB 3.32Å; E25-R28 PolarHBondContact O-N 3.46Å
29S89.2Confident90.6Very high74 Ų7459.1 Ų59.152%0.51731%0.305SS..SBendtrans-122.5161.2165.8530000110F27 N31F27-S29 VanDerWaalsContact C-N 3.32Å; S29-N31 PolarHBondContact O-N 3.08Å
30P92.9Very high91Very high99 Ų9955.4 Ų55.464%0.64328%0.279SS*.  trans-57.4124.4174.9-28.437.6000112.9Q88P30-Q88 WeakPolarHBondContact CB-O 3.26Å
31N93.7Very high91.2Very high45 Ų4552.6 Ų52.624%0.24127%0.269CS..  trans-13473.9-178.7-171.6-12000110.9N26 S29 G33 L34 V35 A89N26-N31 VanDerWaalsContact O-CB 3.27Å; N26-N31 WeakPolarHBondContact O-CB 3.37Å; N26-N31 PolarHBondContact O-ND2 2.91Å; S29-N31 PolarHBondContact O-N 3.08Å; N31-G33 VanDerWaalsContact C-N 3.29Å; N31-G33 PolarHBondContact O-N 3.43Å; N31-L34 HydrophobicContact CB-CB 4.42Å; N31-L34 PolarHBondContact O-N 3.48Å; N31-L34 WeakPolarHBondContact OD1-CB 3.27Å; N31-L34 PolarHBondContact OD1-N 2.99Å; N31-V35 PolarHBondContact O-N 3.49Å; N31-V35 VanDerWaalsContact O-N 3.16Å; N31-A89 PolarHBondContact N-O 2.71Å
32F94.9Very high91.6Very high25 Ų2546.7 Ų46.711%0.1124%0.241CC..Hα-helixtrans-61.3-37.1-175.7-169.7-86000112.7L34 V35 S36 I56 R62 F65 I66 Y87 A89F32-L34 VanDerWaalsContact C-N 3.34Å; F32-L34 PolarHBondContact O-N 2.86Å; F32-V35 PolarHBondContact O-N 3.46Å; F32-V35 VanDerWaalsContact O-N 3.15Å; F32-S36 PolarHBondContact O-N 2.85Å; F32-S36 PolarHBondContact O-OG 2.85Å; F32-I56 HydrophobicContact CE1-CB 4.12Å; F32-I56 HydrophobicContact CE1-CG2 3.91Å; F32-R62 HydrophobicContact CD1-CG 3.89Å; F32-R62 HydrophobicContact CE1-CB 3.79Å; F32-R62 HydrophobicContact CE1-CG 3.46Å; F32-R62 VanDerWaalsContact CE1-CG 3.46Å; F32-R62 HydrophobicContact CE2-CB 4.19Å; F32-R62 HydrophobicContact CZ-CB 3.59Å; F32-R62 HydrophobicContact CZ-CG 3.84Å; F32-F65 HydrophobicContact CZ-CD1 4.15Å; F32-I66 HydrophobicContact CE2-CD1 3.89Å; F32-I66 HydrophobicContact CE2-CG1 3.77Å; F32-I66 HydrophobicContact CZ-CD1 4.04Å; F32-I66 HydrophobicContact CZ-CG1 3.82Å; F32-Y87 HydrophobicContact CD2-CD2 4.46Å; F32-Y87 AromaticContact CE2-CD2 3.86Å; F32-Y87 HydrophobicContact CE2-CD2 3.86Å; F32-Y87 HydrophobicContact CE2-CE2 4.32Å; F32-A89 VanDerWaalsContact CA-CB 3.48Å; F32-A89 HydrophobicContact CB-CB 3.97Å; F32-A89 HydrophobicContact CD2-CB 4.19Å
33G93.3Very high91.7Very high36 Ų3646.1 Ų46.137%0.37124%0.239SC..Hα-helixtrans-60.7-39.4178.400000113.3N31 S36 E37N31-G33 VanDerWaalsContact C-N 3.29Å; N31-G33 PolarHBondContact O-N 3.43Å; G33-S36 PolarHBondContact O-OG 2.88Å; G33-S36 VanDerWaalsContact O-OG 3.13Å; G33-E37 WeakPolarHBondContact O-CB 3.3Å; G33-E37 PolarHBondContact O-N 3.44Å
34L93.3Very high91.9Very high0 Ų049.5 Ų49.50%025%0.249CC..Hα-helixtrans-70.4-40.2173.4-178.762.7000111.8I22 N26 F27 N31 F32 V38I22-L34 HydrophobicContact CG2-CD2 4.46Å; N26-L34 HydrophobicContact CB-CD2 3.55Å; F27-L34 HydrophobicContact CE2-CD2 4.05Å; F27-L34 HydrophobicContact CZ-CD2 4.01Å; F27-L34 HydrophobicContact CZ-CG 4.48Å; N31-L34 HydrophobicContact CB-CB 4.42Å; N31-L34 PolarHBondContact O-N 3.48Å; N31-L34 WeakPolarHBondContact OD1-CB 3.27Å; N31-L34 PolarHBondContact OD1-N 2.99Å; F32-L34 VanDerWaalsContact C-N 3.34Å; F32-L34 PolarHBondContact O-N 2.86Å; L34-V38 HydrophobicContact CD1-CG2 4.17Å; L34-V38 HydrophobicContact CG-CG2 4.42Å; L34-V38 WeakPolarHBondContact O-CB 3.44Å; L34-V38 VanDerWaalsContact O-CG2 3.25Å; L34-V38 WeakPolarHBondContact O-CG2 3.46Å; L34-V38 PolarHBondContact O-N 3.33Å
35V94.8Very high92.5Very high0 Ų053 Ų530%026%0.259CS..Hα-helixtrans-65.6-41.6180170.30000111.8F27 N31 F32 L39 A89 A93F27-V35 HydrophobicContact CE1-CG2 3.71Å; N31-V35 PolarHBondContact O-N 3.49Å; N31-V35 VanDerWaalsContact O-N 3.16Å; F32-V35 PolarHBondContact O-N 3.46Å; F32-V35 VanDerWaalsContact O-N 3.15Å; V35-L39 HydrophobicContact CG1-CD1 3.83Å; V35-L39 HydrophobicContact CG1-CG 4.32Å; V35-L39 VanDerWaalsContact O-CB 3.32Å; V35-L39 WeakPolarHBondContact O-CB 3.42Å; V35-L39 WeakPolarHBondContact O-CG 3.4Å; V35-L39 PolarHBondContact O-N 2.91Å; V35-A89 HydrophobicContact CB-CB 4.22Å; V35-A89 HydrophobicContact CG2-CB 3.91Å; V35-A93 HydrophobicContact CG2-CB 4.16Å
36S94.6Very high92.6Very high6 Ų650.6 Ų50.64%0.04224%0.244CC..Hα-helixtrans-68-43.6176.8560000112.3F32 G33 V38 L39 L40 I56 F65F32-S36 PolarHBondContact O-N 2.85Å; F32-S36 PolarHBondContact O-OG 2.85Å; G33-S36 PolarHBondContact O-OG 2.88Å; G33-S36 VanDerWaalsContact O-OG 3.13Å; S36-V38 PolarHBondContact O-N 3.16Å; S36-L39 PolarHBondContact O-N 3.42Å; S36-L40 WeakPolarHBondContact O-CB 3.32Å; S36-L40 PolarHBondContact O-N 3.1Å; S36-I56 VanDerWaalsContact OG-CD1 3.26Å; S36-I56 WeakPolarHBondContact OG-CD1 3.15Å; S36-F65 WeakPolarHBondContact O-CZ 3.45Å
37E94.3Very high92.7Very high68 Ų6851.1 Ų51.132%0.31825%0.245SC..Hα-helixtrans-57-48.3174.3-168-159.1130.900111.4Y18 R20 G33 W41Y18-E37 PolarHBondContact OH-OE1 2.87Å; R20-E37 VanDerWaalsContact CD-OE2 3.31Å; R20-E37 WeakPolarHBondContact CD-OE2 3.48Å; R20-E37 IonicContact CZ-OE2 3.46Å; R20-E37 IonicContact NE-OE2 3.76Å; R20-E37 IonicContact NH1-OE2 3.15Å; R20-E37 PolarHBondContact NH1-OE2 3.29Å; G33-E37 WeakPolarHBondContact O-CB 3.3Å; G33-E37 PolarHBondContact O-N 3.44Å; E37-W41 WeakPolarHBondContact O-CB 3.33Å; E37-W41 PolarHBondContact O-N 3.47Å
38V95.1Very high92.6Very high0 Ų055.7 Ų55.70%028%0.275CS..Hα-helixtrans-62.3-46.5177.1163.20000112F9 M13 Y18 I22 L34 S36 W41 L42 L97F9-V38 HydrophobicContact CZ-CG1 3.99Å; M13-V38 HydrophobicContact CE-CB 4.45Å; M13-V38 HydrophobicContact CE-CG1 3.78Å; M13-V38 HydrophobicContact CE-CG2 4.12Å; Y18-V38 HydrophobicContact CE1-CG2 4.02Å; Y18-V38 HydrophobicContact CE2-CG2 4.17Å; I22-V38 HydrophobicContact CD1-CG2 4.05Å; L34-V38 HydrophobicContact CD1-CG2 4.17Å; L34-V38 HydrophobicContact CG-CG2 4.42Å; L34-V38 WeakPolarHBondContact O-CB 3.44Å; L34-V38 VanDerWaalsContact O-CG2 3.25Å; L34-V38 WeakPolarHBondContact O-CG2 3.46Å; L34-V38 PolarHBondContact O-N 3.33Å; S36-V38 PolarHBondContact O-N 3.16Å; V38-W41 PolarHBondContact O-N 3.34Å; V38-L42 HydrophobicContact CG1-CD1 3.66Å; V38-L42 HydrophobicContact CG1-CG 4.31Å; V38-L42 WeakPolarHBondContact O-CB 3.5Å; V38-L42 VanDerWaalsContact O-CG 3.29Å; V38-L42 WeakPolarHBondContact O-CG 3.41Å; V38-L42 PolarHBondContact O-N 2.91Å; V38-L97 HydrophobicContact CG1-CD1 4.1Å; V38-L97 HydrophobicContact CG1-CD2 3.94Å
39L95.3Very high92.4Very high0 Ų053.4 Ų53.40%027%0.274CS..Hα-helixtrans-62.7-45.4-179.6-79.1173000111.5V35 S36 W41 L42 V43 F65 I66 I69 L86 L97 I100V35-L39 HydrophobicContact CG1-CD1 3.83Å; V35-L39 HydrophobicContact CG1-CG 4.32Å; V35-L39 VanDerWaalsContact O-CB 3.32Å; V35-L39 WeakPolarHBondContact O-CB 3.42Å; V35-L39 WeakPolarHBondContact O-CG 3.4Å; V35-L39 PolarHBondContact O-N 2.91Å; S36-L39 PolarHBondContact O-N 3.42Å; L39-W41 VanDerWaalsContact C-N 3.34Å; L39-W41 PolarHBondContact O-N 2.87Å; L39-L42 PolarHBondContact O-N 3.48Å; L39-V43 WeakPolarHBondContact O-CG2 3.3Å; L39-V43 PolarHBondContact O-N 2.7Å; L39-F65 HydrophobicContact CB-CE1 4.2Å; L39-F65 HydrophobicContact CB-CZ 4.05Å; L39-F65 HydrophobicContact CD1-CE1 4.05Å; L39-I66 HydrophobicContact CD1-CD1 3.8Å; L39-I69 HydrophobicContact CB-CD1 4.18Å; L39-I69 HydrophobicContact CB-CG1 4.44Å; L39-I69 HydrophobicContact CB-CG2 4.3Å; L39-I69 HydrophobicContact CD1-CG2 4.22Å; L39-I69 HydrophobicContact CD2-CG2 3.93Å; L39-I69 HydrophobicContact CG-CG2 4.38Å; L39-L86 HydrophobicContact CD1-CD1 4.24Å; L39-L86 HydrophobicContact CD1-CD2 4.23Å; L39-L86 HydrophobicContact CD2-CD1 4.44Å; L39-L86 HydrophobicContact CD2-CD2 4.24Å; L39-L97 HydrophobicContact CD2-CD2 3.4Å; L39-L97 HydrophobicContact CG-CD2 3.71Å; L39-I100 HydrophobicContact CD2-CD1 3.9Å
40L94Very high92.3Very high32 Ų3250.8 Ų50.817%0.16826%0.255CS..Hα-helixtrans-63.3-41.4177.8-174.663.7000111.1S36 V43 K44 I52 F65S36-L40 WeakPolarHBondContact O-CB 3.32Å; S36-L40 PolarHBondContact O-N 3.1Å; L40-V43 PolarHBondContact O-N 3.44Å; L40-K44 HydrophobicContact CG-CD 4.44Å; L40-K44 WeakPolarHBondContact O-CB 3.27Å; L40-K44 WeakPolarHBondContact O-CG 3.49Å; L40-K44 PolarHBondContact O-N 3.35Å; L40-I52 HydrophobicContact CD1-CB 4.35Å; L40-I52 HydrophobicContact CD1-CG2 4.37Å; L40-F65 HydrophobicContact CB-CE2 4.34Å; L40-F65 HydrophobicContact CB-CZ 4.34Å
41W95.4Very high91.9Very high57 Ų5753.6 Ų53.622%0.21626%0.264CS..Hα-helixtrans-63.8-46.1175.5-17592000112.2M13 L16 Y18 E37 V38 L39 V43 K44 R45M13-W41 HydrophobicContact CE-CE3 4.08Å; M13-W41 HydrophobicContact CE-CZ3 4.18Å; M13-W41 HydrophobicContact SD-CZ3 4.43Å; L16-W41 HydrophobicContact CB-CH2 3.87Å; L16-W41 HydrophobicContact CB-CZ3 4.29Å; Y18-W41 HydrophobicContact CD2-CB 4.23Å; Y18-W41 AromaticContact CD2-CD2 3.59Å; Y18-W41 HydrophobicContact CD2-CD2 3.59Å; Y18-W41 AromaticContact CD2-CE2 3.93Å; Y18-W41 AromaticContact CD2-CE3 3.9Å; Y18-W41 HydrophobicContact CD2-CE3 3.9Å; Y18-W41 AromaticContact CD2-CG 3.71Å; Y18-W41 HydrophobicContact CD2-CG 3.71Å; Y18-W41 HydrophobicContact CD2-CZ3 4.48Å; Y18-W41 HydrophobicContact CE2-CB 4.12Å; Y18-W41 HydrophobicContact CE2-CD2 4.37Å; Y18-W41 HydrophobicContact CE2-CG 4.05Å; E37-W41 WeakPolarHBondContact O-CB 3.33Å; E37-W41 PolarHBondContact O-N 3.47Å; V38-W41 PolarHBondContact O-N 3.34Å; L39-W41 VanDerWaalsContact C-N 3.34Å; L39-W41 PolarHBondContact O-N 2.87Å; W41-V43 VanDerWaalsContact C-N 3.34Å; W41-V43 PolarHBondContact O-N 3.36Å; W41-K44 PolarHBondContact O-N 2.99Å; W41-R45 HydrophobicContact CH2-CG 4.36Å; W41-R45 HydrophobicContact CZ3-CG 4.49Å; W41-R45 VanDerWaalsContact O-CB 3.28Å; W41-R45 WeakPolarHBondContact O-CB 3.37Å; W41-R45 PolarHBondContact O-N 3.16Å
42L94.1Very high91.6Very high0 Ų052.1 Ų52.10%026%0.256CS..Hα-helixtrans-62.1-39.9178-75.6168.3000112.1M13 V38 L39 R45 Y46 I100 L104M13-L42 HydrophobicContact CE-CD2 4.48Å; M13-L42 HydrophobicContact CE-CG 4.44Å; M13-L42 HydrophobicContact SD-CD1 4.39Å; M13-L42 HydrophobicContact SD-CD2 3.88Å; M13-L42 HydrophobicContact SD-CG 4.34Å; V38-L42 HydrophobicContact CG1-CD1 3.66Å; V38-L42 HydrophobicContact CG1-CG 4.31Å; V38-L42 WeakPolarHBondContact O-CB 3.5Å; V38-L42 VanDerWaalsContact O-CG 3.29Å; V38-L42 WeakPolarHBondContact O-CG 3.41Å; V38-L42 PolarHBondContact O-N 2.91Å; L39-L42 PolarHBondContact O-N 3.48Å; L42-R45 PolarHBondContact O-N 2.98Å; L42-Y46 PolarHBondContact O-N 2.9Å; L42-Y46 VanDerWaalsContact O-N 3.14Å; L42-I100 HydrophobicContact CB-CG2 4.01Å; L42-I100 HydrophobicContact CD1-CB 4.29Å; L42-I100 HydrophobicContact CD1-CG2 4.38Å; L42-I100 HydrophobicContact CD2-CG2 4.39Å; L42-L104 HydrophobicContact CD2-CD1 3.76Å
43V93.3Very high91Very high0 Ų053.5 Ų53.50%027%0.268CS..Hα-helixtrans-68.8-46.3176.31690000111.6L39 L40 W41 R45 Y46 E47 T50 I52 I69 F72 M73L39-V43 WeakPolarHBondContact O-CG2 3.3Å; L39-V43 PolarHBondContact O-N 2.7Å; L40-V43 PolarHBondContact O-N 3.44Å; W41-V43 VanDerWaalsContact C-N 3.34Å; W41-V43 PolarHBondContact O-N 3.36Å; V43-R45 PolarHBondContact O-N 3.32Å; V43-Y46 WeakPolarHBondContact O-CA 3.4Å; V43-Y46 WeakPolarHBondContact O-CB 3.39Å; V43-Y46 PolarHBondContact O-N 3.41Å; V43-E47 PolarHBondContact O-N 3.44Å; V43-T50 HydrophobicContact CG1-CG2 3.64Å; V43-I52 HydrophobicContact CG1-CD1 3.78Å; V43-I69 HydrophobicContact CB-CD1 4.32Å; V43-I69 HydrophobicContact CG2-CD1 3.74Å; V43-I69 HydrophobicContact CG2-CG2 4.47Å; V43-F72 HydrophobicContact CB-CD1 4.42Å; V43-F72 HydrophobicContact CB-CE1 4.4Å; V43-F72 HydrophobicContact CG1-CD1 3.64Å; V43-F72 HydrophobicContact CG1-CE1 3.56Å; V43-F72 HydrophobicContact CG1-CG 4.21Å; V43-F72 HydrophobicContact CG1-CZ 4.04Å; V43-F72 HydrophobicContact CG2-CD1 3.95Å; V43-F72 HydrophobicContact CG2-CE1 4.26Å; V43-M73 HydrophobicContact CG2-CG 4.22Å; V43-M73 HydrophobicContact CG2-SD 3.85Å
44K91.3Very high90.4Very high105 Ų10556 Ų5646%0.45728%0.28SS..Hα-helixtrans-63.7-25175-72.5-175175.9-174.20113.1L40 W41 P48L40-K44 HydrophobicContact CG-CD 4.44Å; L40-K44 WeakPolarHBondContact O-CB 3.27Å; L40-K44 WeakPolarHBondContact O-CG 3.49Å; L40-K44 PolarHBondContact O-N 3.35Å; W41-K44 PolarHBondContact O-N 2.99Å; K44-P48 WeakPolarHBondContact O-CA 3.49Å
45R90.1Very high90.1Very high143 Ų14359.9 Ų59.954%0.5430%0.3SS..Hα-helixtrans-75.3-24.3171.7-167.657.9159.4-179.9-6.3112.9L16 W41 L42 V43 L104L16-R45 PolarHBondContact O-NH2 3.2Å; W41-R45 HydrophobicContact CH2-CG 4.36Å; W41-R45 HydrophobicContact CZ3-CG 4.49Å; W41-R45 VanDerWaalsContact O-CB 3.28Å; W41-R45 WeakPolarHBondContact O-CB 3.37Å; W41-R45 PolarHBondContact O-N 3.16Å; L42-R45 PolarHBondContact O-N 2.98Å; V43-R45 PolarHBondContact O-N 3.32Å; R45-L104 HydrophobicContact CB-CD1 4.37Å; R45-L104 HydrophobicContact CG-CD1 4.32Å
46Y88.8Confident89.8Confident93 Ų9362.1 Ų62.137%0.36531%0.312SS..Hα-helixtrans-84.3-48.2174.9-166-86.8000111.9L42 V43 F72 A77 L104L42-Y46 PolarHBondContact O-N 2.9Å; L42-Y46 VanDerWaalsContact O-N 3.14Å; V43-Y46 WeakPolarHBondContact O-CA 3.4Å; V43-Y46 WeakPolarHBondContact O-CB 3.39Å; V43-Y46 PolarHBondContact O-N 3.41Å; Y46-F72 HydrophobicContact CD1-CE1 4.15Å; Y46-F72 HydrophobicContact CD1-CZ 4.17Å; Y46-A77 HydrophobicContact CD2-CB 4.49Å; Y46-A77 HydrophobicContact CE1-CB 3.92Å; Y46-A77 HydrophobicContact CE2-CB 3.83Å; Y46-A77 WeakPolarHBondContact OH-CA 3.44Å; Y46-L104 HydrophobicContact CD2-CD2 4.01Å
47E89.9Confident89.6Confident60 Ų6069.6 Ų69.628%0.2835%0.346SS..  trans-139.9103.7179-171.8171.1175.100109.7V43 Q49 T50 F72 K76V43-E47 PolarHBondContact O-N 3.44Å; E47-Q49 VanDerWaalsContact C-N 3.27Å; E47-Q49 PolarHBondContact O-N 3.4Å; E47-T50 WeakPolarHBondContact CB-OG1 3.25Å; E47-T50 WeakPolarHBondContact CG-OG1 3.33Å; E47-T50 WeakPolarHBondContact O-CB 3.33Å; E47-T50 PolarHBondContact O-N 2.87Å; E47-T50 PolarHBondContact O-OG1 3.46Å; E47-F72 HydrophobicContact CB-CE2 4.32Å; E47-F72 HydrophobicContact CB-CZ 3.76Å; E47-F72 VanDerWaalsContact OE2-CE2 3.29Å; E47-F72 WeakPolarHBondContact OE2-CE2 3.34Å; E47-F72 WeakPolarHBondContact OE2-CZ 3.37Å; E47-K76 VanDerWaalsContact CD-NZ 3.29Å; E47-K76 IonicContact OE1-NZ 3.64Å; E47-K76 PolarHBondContact OE1-NZ 3.04Å; E47-K76 IonicContact OE2-NZ 2.76Å; E47-K76 PolarHBondContact OE2-NZ 2.91Å
48P88.4Confident89.5Confident103 Ų10369.8 Ų69.867%0.66935%0.352SS*.THydrogen-bonded Turntrans-66-21.3-171.1-26.735.8000116.2K44 T50K44-P48 WeakPolarHBondContact O-CA 3.49Å; P48-T50 VanDerWaalsContact C-N 3.34Å
49Q84.1Confident89.4Confident176 Ų17676.2 Ų76.282%0.82238%0.382SS*.THydrogen-bonded Turntrans-92.46.9-178.5-62.7-64.3-23.800112.9E47 D51E47-Q49 VanDerWaalsContact C-N 3.27Å; E47-Q49 PolarHBondContact O-N 3.4Å; Q49-D51 PolarHBondContact O-N 3.33Å
50T87.4Confident89.3Confident18 Ų1883.9 Ų83.911%0.1142%0.418CS..  trans-72.5113.1-178.9-67.80000111.5V43 E47 P48 I52 F72V43-T50 HydrophobicContact CG1-CG2 3.64Å; E47-T50 WeakPolarHBondContact CB-OG1 3.25Å; E47-T50 WeakPolarHBondContact CG-OG1 3.33Å; E47-T50 WeakPolarHBondContact O-CB 3.33Å; E47-T50 PolarHBondContact O-N 2.87Å; E47-T50 PolarHBondContact O-OG1 3.46Å; P48-T50 VanDerWaalsContact C-N 3.34Å; T50-I52 HydrophobicContact CG2-CD1 3.63Å; T50-I52 HydrophobicContact CG2-CG1 3.66Å; T50-I52 PolarHBondContact O-N 2.95Å; T50-F72 HydrophobicContact CG2-CD2 3.75Å; T50-F72 HydrophobicContact CG2-CE2 3.71Å; T50-F72 HydrophobicContact CG2-CG 4.39Å; T50-F72 HydrophobicContact CG2-CZ 4.33Å; T50-F72 WeakPolarHBondContact OG1-CE2 3.47Å
51D84.3Confident89.3Confident158 Ų15884.7 Ų84.785%0.84542%0.423SS*.  trans-83.1105.3169.9-169.218.2000109.8Q49Q49-D51 PolarHBondContact O-N 3.33Å
52I86.9Confident89.2Confident14 Ų1485.7 Ų85.77%0.07243%0.426CS..  trans-123127.8171.7-76.4174.3000106.9L40 V43 T50 S54 F65 A68 I69 F72L40-I52 HydrophobicContact CD1-CB 4.35Å; L40-I52 HydrophobicContact CD1-CG2 4.37Å; V43-I52 HydrophobicContact CG1-CD1 3.78Å; T50-I52 HydrophobicContact CG2-CD1 3.63Å; T50-I52 HydrophobicContact CG2-CG1 3.66Å; T50-I52 PolarHBondContact O-N 2.95Å; I52-S54 PolarHBondContact O-N 2.77Å; I52-F65 HydrophobicContact CG2-CD2 4.03Å; I52-F65 HydrophobicContact CG2-CE2 4.06Å; I52-A68 HydrophobicContact CG2-CB 4.33Å; I52-I69 HydrophobicContact CD1-CD1 3.74Å; I52-I69 HydrophobicContact CD1-CG1 4.43Å; I52-I69 HydrophobicContact CG2-CD1 4.14Å; I52-I69 HydrophobicContact CG2-CG1 4.39Å; I52-F72 HydrophobicContact CD1-CB 4.22Å; I52-F72 HydrophobicContact CD1-CG 4.36Å
53P83.1Confident89.3Confident55 Ų5588.5 Ų88.536%0.35744%0.443SS..  trans-52.2125.5177.5-18.923.5000110.3F64 F65P53-F64 HydrophobicContact CB-CD1 4.46Å; P53-F64 HydrophobicContact CB-CE1 4.44Å; P53-F64 HydrophobicContact CG-CD1 3.99Å; P53-F64 HydrophobicContact CG-CE1 3.58Å; P53-F65 WeakPolarHBondContact O-CD2 3.35Å
54S79.6Confident89.3Confident88 Ų8894.3 Ų94.362%0.61547%0.469SS*.  trans-931-179.657.70000114.2I52I52-S54 PolarHBondContact O-N 2.77Å
55D86.4Confident89.6Confident81 Ų8189.4 Ų89.443%0.43345%0.447SS..  trans-71135.6176.8-155-27000111E57 D61D55-E57 PolarHBondContact OD1-N 2.64Å; D55-D61 HydrophobicContact CB-CB 4.4Å
56I89.4Confident89.9Confident48 Ų4882.8 Ų82.825%0.24642%0.423CS..  trans-145.513-176.861.2173.6000111.2F32 S36 R62 F65F32-I56 HydrophobicContact CE1-CB 4.12Å; F32-I56 HydrophobicContact CE1-CG2 3.91Å; S36-I56 VanDerWaalsContact OG-CD1 3.26Å; S36-I56 WeakPolarHBondContact OG-CD1 3.15Å; I56-R62 HydrophobicContact CB-CG 4.05Å; I56-R62 WeakPolarHBondContact O-CG 3.23Å; I56-R62 PolarHBondContact O-NE 2.84Å; I56-R62 PolarHBondContact O-NH2 3.37Å; I56-F65 HydrophobicContact CG2-CB 4.46Å; I56-F65 HydrophobicContact CG2-CG 4.26Å
57E90.1Very high90.2Very high163 Ų16384.5 Ų84.576%0.76243%0.432SS*.SBendtrans-66.8-51.6-176.3-67.9-165.4173.700110.8D55 R62D55-E57 PolarHBondContact OD1-N 2.64Å; E57-R62 PolarHBondContact O-NH2 3.38Å
58T93.3Very high90.4Very high71 Ų7182.7 Ų82.744%0.43643%0.428SS..SBendtrans-88.8160.2177.287.40000113.1Q60 D61 R62T58-Q60 PolarHBondContact O-N 2.98Å; T58-Q60 PolarHBondContact OG1-N 3.38Å; T58-D61 VanDerWaalsContact CB-OD2 3.24Å; T58-D61 WeakPolarHBondContact CB-OD2 3.41Å; T58-D61 VanDerWaalsContact CG2-OD2 3.29Å; T58-D61 WeakPolarHBondContact CG2-OD2 3.33Å; T58-D61 PolarHBondContact N-OD2 2.86Å; T58-D61 PolarHBondContact O-N 3.04Å; T58-D61 VanDerWaalsContact OG1-CG 3.26Å; T58-D61 PolarHBondContact OG1-N 3.05Å; T58-D61 PolarHBondContact OG1-OD2 3.4Å; T58-R62 WeakPolarHBondContact O-CG 3.35Å; T58-R62 PolarHBondContact O-N 3.32Å; T58-R62 VanDerWaalsContact O-N 3.12Å
59E92.3Very high90.7Very high136 Ų13677.8 Ų77.864%0.63640%0.396SS*.Hα-helixtrans-61.7-31.8174-59-168.7151.700112.8V63E59-V63 WeakPolarHBondContact O-CG2 3.4Å; E59-V63 PolarHBondContact O-N 3.01Å
60Q92.9Very high91.3Very high161 Ų16170.1 Ų70.175%0.75236%0.362SS*.Hα-helixtrans-68.1-42.8178.8-62.2-172.43.500110.7T58 V63 F64T58-Q60 PolarHBondContact O-N 2.98Å; T58-Q60 PolarHBondContact OG1-N 3.38Å; Q60-V63 PolarHBondContact O-N 3.22Å; Q60-F64 PolarHBondContact O-N 2.68Å
61D93.6Very high91.6Very high49 Ų4975.5 Ų75.526%0.26239%0.386SS..Hα-helixtrans-65.3-41.8177.8-53.1-49.6000111D55 T58 V63 F64 F65D55-D61 HydrophobicContact CB-CB 4.4Å; T58-D61 VanDerWaalsContact CB-OD2 3.24Å; T58-D61 WeakPolarHBondContact CB-OD2 3.41Å; T58-D61 VanDerWaalsContact CG2-OD2 3.29Å; T58-D61 WeakPolarHBondContact CG2-OD2 3.33Å; T58-D61 PolarHBondContact N-OD2 2.86Å; T58-D61 PolarHBondContact O-N 3.04Å; T58-D61 VanDerWaalsContact OG1-CG 3.26Å; T58-D61 PolarHBondContact OG1-N 3.05Å; T58-D61 PolarHBondContact OG1-OD2 3.4Å; D61-V63 VanDerWaalsContact C-N 3.33Å; D61-V63 PolarHBondContact O-N 3Å; D61-F64 PolarHBondContact O-N 3.38Å; D61-F64 VanDerWaalsContact O-N 3.14Å; D61-F65 VanDerWaalsContact O-CB 3.32Å; D61-F65 WeakPolarHBondContact O-CB 3.48Å; D61-F65 PolarHBondContact O-N 3.07Å
62R94.9Very high92.1Very high78 Ų7869 Ų6929%0.29435%0.351SS..Hα-helixtrans-59.2-41.4173.4-65.2177.6-163.5160.912.6112.5F32 I56 E57 T58 I66 Y87F32-R62 HydrophobicContact CD1-CG 3.89Å; F32-R62 HydrophobicContact CE1-CB 3.79Å; F32-R62 HydrophobicContact CE1-CG 3.46Å; F32-R62 VanDerWaalsContact CE1-CG 3.46Å; F32-R62 HydrophobicContact CE2-CB 4.19Å; F32-R62 HydrophobicContact CZ-CB 3.59Å; F32-R62 HydrophobicContact CZ-CG 3.84Å; I56-R62 HydrophobicContact CB-CG 4.05Å; I56-R62 WeakPolarHBondContact O-CG 3.23Å; I56-R62 PolarHBondContact O-NE 2.84Å; I56-R62 PolarHBondContact O-NH2 3.37Å; E57-R62 PolarHBondContact O-NH2 3.38Å; T58-R62 WeakPolarHBondContact O-CG 3.35Å; T58-R62 PolarHBondContact O-N 3.32Å; T58-R62 VanDerWaalsContact O-N 3.12Å; R62-I66 VanDerWaalsContact O-CG1 3.24Å; R62-I66 WeakPolarHBondContact O-CG1 3.41Å; R62-I66 PolarHBondContact O-N 3.06Å; R62-I66 VanDerWaalsContact O-N 3.1Å; R62-Y87 HydrophobicContact CB-CD2 4.45Å; R62-Y87 HydrophobicContact CB-CE2 3.69Å
63V94.7Very high92.3Very high58 Ų5868.4 Ų68.435%0.35235%0.347SS..Hα-helixtrans-67.7-39.1175.6169.50000111.2E59 Q60 D61 K67 Y87E59-V63 WeakPolarHBondContact O-CG2 3.4Å; E59-V63 PolarHBondContact O-N 3.01Å; Q60-V63 PolarHBondContact O-N 3.22Å; D61-V63 VanDerWaalsContact C-N 3.33Å; D61-V63 PolarHBondContact O-N 3Å; V63-K67 HydrophobicContact CG1-CD 4.17Å; V63-K67 VanDerWaalsContact O-CG 3.31Å; V63-K67 WeakPolarHBondContact O-CG 3.26Å; V63-K67 PolarHBondContact O-N 2.93Å; V63-K67 VanDerWaalsContact O-N 3.1Å; V63-Y87 HydrophobicContact CG2-CD2 4.28Å; V63-Y87 HydrophobicContact CG2-CE2 3.76Å
64F94.9Very high92.8Very high122 Ų12267.7 Ų67.754%0.53535%0.346SS..Hα-helixtrans-66.1-47.5176.9-171-121.9000111.8P53 Q60 D61 I66 K67 A68P53-F64 HydrophobicContact CB-CD1 4.46Å; P53-F64 HydrophobicContact CB-CE1 4.44Å; P53-F64 HydrophobicContact CG-CD1 3.99Å; P53-F64 HydrophobicContact CG-CE1 3.58Å; Q60-F64 PolarHBondContact O-N 2.68Å; D61-F64 PolarHBondContact O-N 3.38Å; D61-F64 VanDerWaalsContact O-N 3.14Å; F64-I66 PolarHBondContact O-N 3.48Å; F64-K67 WeakPolarHBondContact O-CB 3.31Å; F64-K67 PolarHBondContact O-N 3.21Å; F64-A68 WeakPolarHBondContact O-CB 3.33Å; F64-A68 PolarHBondContact O-N 3.46Å
65F96.3Very high93.4Very high3 Ų367.6 Ų67.61%0.01334%0.342CS..Hα-helixtrans-52.1-52.2173.1174.4-96.7000112.1F32 S36 L39 L40 I52 P53 I56 D61 K67 A68 I69F32-F65 HydrophobicContact CZ-CD1 4.15Å; S36-F65 WeakPolarHBondContact O-CZ 3.45Å; L39-F65 HydrophobicContact CB-CE1 4.2Å; L39-F65 HydrophobicContact CB-CZ 4.05Å; L39-F65 HydrophobicContact CD1-CE1 4.05Å; L40-F65 HydrophobicContact CB-CE2 4.34Å; L40-F65 HydrophobicContact CB-CZ 4.34Å; I52-F65 HydrophobicContact CG2-CD2 4.03Å; I52-F65 HydrophobicContact CG2-CE2 4.06Å; P53-F65 WeakPolarHBondContact O-CD2 3.35Å; I56-F65 HydrophobicContact CG2-CB 4.46Å; I56-F65 HydrophobicContact CG2-CG 4.26Å; D61-F65 VanDerWaalsContact O-CB 3.32Å; D61-F65 WeakPolarHBondContact O-CB 3.48Å; D61-F65 PolarHBondContact O-N 3.07Å; F65-K67 VanDerWaalsContact C-N 3.32Å; F65-K67 PolarHBondContact O-N 3Å; F65-A68 PolarHBondContact O-N 3Å; F65-I69 HydrophobicContact CD1-CG1 4.31Å; F65-I69 HydrophobicContact CD2-CG1 4.34Å; F65-I69 HydrophobicContact CE1-CG1 3.88Å; F65-I69 HydrophobicContact CE2-CD1 4.06Å; F65-I69 HydrophobicContact CE2-CG1 3.94Å; F65-I69 HydrophobicContact CZ-CD1 3.88Å; F65-I69 HydrophobicContact CZ-CG1 3.69Å; F65-I69 VanDerWaalsContact O-CG1 3.29Å; F65-I69 WeakPolarHBondContact O-CG1 3.31Å; F65-I69 PolarHBondContact O-N 3.45Å
66I96.5Very high93.5Very high4 Ų468.6 Ų68.62%0.02134%0.343CS..Hα-helixtrans-64.6-36.2-179.1-67.2-68.3000111.8F32 L39 R62 F64 A70 T83 L86 Y87F32-I66 HydrophobicContact CE2-CD1 3.89Å; F32-I66 HydrophobicContact CE2-CG1 3.77Å; F32-I66 HydrophobicContact CZ-CD1 4.04Å; F32-I66 HydrophobicContact CZ-CG1 3.82Å; L39-I66 HydrophobicContact CD1-CD1 3.8Å; R62-I66 VanDerWaalsContact O-CG1 3.24Å; R62-I66 WeakPolarHBondContact O-CG1 3.41Å; R62-I66 PolarHBondContact O-N 3.06Å; R62-I66 VanDerWaalsContact O-N 3.1Å; F64-I66 PolarHBondContact O-N 3.48Å; I66-A70 VanDerWaalsContact O-CB 3.27Å; I66-A70 WeakPolarHBondContact O-CB 3.27Å; I66-A70 PolarHBondContact O-N 3.26Å; I66-T83 HydrophobicContact CG2-CG2 3.85Å; I66-L86 HydrophobicContact CD1-CB 3.87Å; I66-L86 HydrophobicContact CG2-CB 4.38Å; I66-Y87 HydrophobicContact CG1-CD2 4.36Å
67K95.1Very high93.3Very high128 Ų12867.1 Ų67.156%0.55734%0.338SS*.Hα-helixtrans-65.2-46.9173.3-75.3172.3179.51770111.5V63 F64 F65 A70 Q71V63-K67 HydrophobicContact CG1-CD 4.17Å; V63-K67 VanDerWaalsContact O-CG 3.31Å; V63-K67 WeakPolarHBondContact O-CG 3.26Å; V63-K67 PolarHBondContact O-N 2.93Å; V63-K67 VanDerWaalsContact O-N 3.1Å; F64-K67 WeakPolarHBondContact O-CB 3.31Å; F64-K67 PolarHBondContact O-N 3.21Å; F65-K67 VanDerWaalsContact C-N 3.32Å; F65-K67 PolarHBondContact O-N 3Å; K67-A70 PolarHBondContact O-N 2.9Å; K67-Q71 VanDerWaalsContact O-CB 3.31Å; K67-Q71 WeakPolarHBondContact O-CB 3.36Å; K67-Q71 PolarHBondContact O-N 2.81Å
68A94.6Very high93.3Very high23 Ų2366.9 Ų66.919%0.1934%0.336CS..Hα-helixtrans-59.9-48.4178.900000111.8I52 F64 F65 A70 Q71 F72I52-A68 HydrophobicContact CG2-CB 4.33Å; F64-A68 WeakPolarHBondContact O-CB 3.33Å; F64-A68 PolarHBondContact O-N 3.46Å; F65-A68 PolarHBondContact O-N 3Å; A68-A70 PolarHBondContact O-N 3.32Å; A68-Q71 PolarHBondContact O-N 3.43Å; A68-F72 VanDerWaalsContact O-CB 3.32Å; A68-F72 WeakPolarHBondContact O-CB 3.39Å; A68-F72 PolarHBondContact O-N 3.23Å
69I95.5Very high93.3Very high0 Ų064.6 Ų64.60%032%0.321CS..Hα-helixtrans-58.5-47.7175.2-67-75.4000111.3L39 V43 I52 F65 F72 M73 L81L39-I69 HydrophobicContact CB-CD1 4.18Å; L39-I69 HydrophobicContact CB-CG1 4.44Å; L39-I69 HydrophobicContact CB-CG2 4.3Å; L39-I69 HydrophobicContact CD1-CG2 4.22Å; L39-I69 HydrophobicContact CD2-CG2 3.93Å; L39-I69 HydrophobicContact CG-CG2 4.38Å; V43-I69 HydrophobicContact CB-CD1 4.32Å; V43-I69 HydrophobicContact CG2-CD1 3.74Å; V43-I69 HydrophobicContact CG2-CG2 4.47Å; I52-I69 HydrophobicContact CD1-CD1 3.74Å; I52-I69 HydrophobicContact CD1-CG1 4.43Å; I52-I69 HydrophobicContact CG2-CD1 4.14Å; I52-I69 HydrophobicContact CG2-CG1 4.39Å; F65-I69 HydrophobicContact CD1-CG1 4.31Å; F65-I69 HydrophobicContact CD2-CG1 4.34Å; F65-I69 HydrophobicContact CE1-CG1 3.88Å; F65-I69 HydrophobicContact CE2-CD1 4.06Å; F65-I69 HydrophobicContact CE2-CG1 3.94Å; F65-I69 HydrophobicContact CZ-CD1 3.88Å; F65-I69 HydrophobicContact CZ-CG1 3.69Å; F65-I69 VanDerWaalsContact O-CG1 3.29Å; F65-I69 WeakPolarHBondContact O-CG1 3.31Å; F65-I69 PolarHBondContact O-N 3.45Å; I69-F72 PolarHBondContact O-N 3.05Å; I69-M73 WeakPolarHBondContact O-CB 3.25Å; I69-M73 WeakPolarHBondContact O-CG 3.32Å; I69-M73 PolarHBondContact O-N 2.83Å; I69-L81 HydrophobicContact CG2-CD1 4.41Å
70A95.6Very high93.4Very high14 Ų1466.6 Ų66.612%0.11633%0.327CS..Hα-helixtrans-67-39.2-178.500000112.6I66 K67 A68 A74 T83I66-A70 VanDerWaalsContact O-CB 3.27Å; I66-A70 WeakPolarHBondContact O-CB 3.27Å; I66-A70 PolarHBondContact O-N 3.26Å; K67-A70 PolarHBondContact O-N 2.9Å; A68-A70 PolarHBondContact O-N 3.32Å; A70-A74 VanDerWaalsContact O-CB 3.23Å; A70-A74 WeakPolarHBondContact O-CB 3.37Å; A70-A74 PolarHBondContact O-N 3.2Å; A70-T83 HydrophobicContact CB-CG2 3.56Å
71Q93.7Very high93.4Very high132 Ų13260 Ų6062%0.61730%0.297SS*.Hα-helixtrans-66.1-44.8175.3-179.1174.4-1100111.5K67 A68 A74 T75K67-Q71 VanDerWaalsContact O-CB 3.31Å; K67-Q71 WeakPolarHBondContact O-CB 3.36Å; K67-Q71 PolarHBondContact O-N 2.81Å; A68-Q71 PolarHBondContact O-N 3.43Å; Q71-A74 PolarHBondContact O-N 3.44Å; Q71-T75 WeakPolarHBondContact O-CB 3.45Å; Q71-T75 WeakPolarHBondContact O-CG2 3.33Å; Q71-T75 PolarHBondContact O-N 3.11Å; Q71-T75 PolarHBondContact O-OG1 3.32Å
72F94.1Very high93.6Very high22 Ų2260.7 Ų60.710%0.09630%0.301CS..Hα-helixtrans-57.2-54174.9175.9-89.7000110.9V43 Y46 E47 T50 I52 A68 I69 A74 T75 K76V43-F72 HydrophobicContact CB-CD1 4.42Å; V43-F72 HydrophobicContact CB-CE1 4.4Å; V43-F72 HydrophobicContact CG1-CD1 3.64Å; V43-F72 HydrophobicContact CG1-CE1 3.56Å; V43-F72 HydrophobicContact CG1-CG 4.21Å; V43-F72 HydrophobicContact CG1-CZ 4.04Å; V43-F72 HydrophobicContact CG2-CD1 3.95Å; V43-F72 HydrophobicContact CG2-CE1 4.26Å; Y46-F72 HydrophobicContact CD1-CE1 4.15Å; Y46-F72 HydrophobicContact CD1-CZ 4.17Å; E47-F72 HydrophobicContact CB-CE2 4.32Å; E47-F72 HydrophobicContact CB-CZ 3.76Å; E47-F72 VanDerWaalsContact OE2-CE2 3.29Å; E47-F72 WeakPolarHBondContact OE2-CE2 3.34Å; E47-F72 WeakPolarHBondContact OE2-CZ 3.37Å; T50-F72 HydrophobicContact CG2-CD2 3.75Å; T50-F72 HydrophobicContact CG2-CE2 3.71Å; T50-F72 HydrophobicContact CG2-CG 4.39Å; T50-F72 HydrophobicContact CG2-CZ 4.33Å; T50-F72 WeakPolarHBondContact OG1-CE2 3.47Å; I52-F72 HydrophobicContact CD1-CB 4.22Å; I52-F72 HydrophobicContact CD1-CG 4.36Å; A68-F72 VanDerWaalsContact O-CB 3.32Å; A68-F72 WeakPolarHBondContact O-CB 3.39Å; A68-F72 PolarHBondContact O-N 3.23Å; I69-F72 PolarHBondContact O-N 3.05Å; F72-A74 VanDerWaalsContact C-N 3.32Å; F72-A74 PolarHBondContact O-N 3.47Å; F72-T75 PolarHBondContact O-N 3.24Å; F72-T75 PolarHBondContact O-OG1 3Å; F72-K76 HydrophobicContact CD2-CB 4.48Å; F72-K76 HydrophobicContact CD2-CG 3.9Å; F72-K76 HydrophobicContact CE1-CB 4.34Å; F72-K76 HydrophobicContact CE2-CB 4.08Å; F72-K76 HydrophobicContact CE2-CG 3.61Å; F72-K76 HydrophobicContact CZ-CB 3.98Å; F72-K76 HydrophobicContact CZ-CG 4.03Å; F72-K76 WeakPolarHBondContact O-CB 3.3Å; F72-K76 PolarHBondContact O-N 2.94Å
73M92.8Very high93.6Very high0 Ų060 Ų600%031%0.306CS..Hα-helixtrans-65.6-32.9-177.3-68-55.4-59.700113.1V43 I69 A77 H78 I79 L81 I100V43-M73 HydrophobicContact CG2-CG 4.22Å; V43-M73 HydrophobicContact CG2-SD 3.85Å; I69-M73 WeakPolarHBondContact O-CB 3.25Å; I69-M73 WeakPolarHBondContact O-CG 3.32Å; I69-M73 PolarHBondContact O-N 2.83Å; M73-A77 HydrophobicContact CE-CB 3.52Å; M73-A77 CarbonylContact O-C 3.4Å; M73-A77 WeakPolarHBondContact O-CA 3.49Å; M73-A77 WeakPolarHBondContact O-CB 3.29Å; M73-A77 PolarHBondContact O-N 3.12Å; M73-A77 HydrophobicContact SD-CB 4.3Å; M73-H78 PolarHBondContact O-N 3.47Å; M73-I79 CarbonylContact C-O 3.39Å; M73-I79 HydrophobicContact CE-CB 4.29Å; M73-I79 HydrophobicContact CE-CD1 3.79Å; M73-I79 HydrophobicContact CE-CG1 4.37Å; M73-I79 PolarHBondContact O-N 3.35Å; M73-L81 HydrophobicContact CB-CD1 3.72Å; M73-L81 HydrophobicContact CB-CG 4.38Å; M73-L81 HydrophobicContact CG-CD1 3.81Å; M73-I100 HydrophobicContact CE-CB 4.27Å; M73-I100 HydrophobicContact CE-CD1 4.2Å; M73-I100 HydrophobicContact CE-CG1 3.96Å; M73-I100 HydrophobicContact CE-CG2 3.62Å; M73-I100 HydrophobicContact CG-CD1 4.18Å; M73-I100 HydrophobicContact SD-CD1 4.49Å; M73-I100 HydrophobicContact SD-CG2 4.5Å
74A92.9Very high93.7Very high41 Ų4164.6 Ų64.634%0.33932%0.321SS..Hα-helixtrans-73-33.3176.100000113.4A70 Q71 F72 H78 I79A70-A74 VanDerWaalsContact O-CB 3.23Å; A70-A74 WeakPolarHBondContact O-CB 3.37Å; A70-A74 PolarHBondContact O-N 3.2Å; Q71-A74 PolarHBondContact O-N 3.44Å; F72-A74 VanDerWaalsContact C-N 3.32Å; F72-A74 PolarHBondContact O-N 3.47Å; A74-H78 WeakPolarHBondContact O-CA 3.24Å; A74-I79 PolarHBondContact N-O 3.47Å
75T91Very high93.7Very high86 Ų8661.9 Ų61.953%0.52831%0.309SS..Hα-helixtrans-91.3-39.6-17653.40000113.5Q71 F72Q71-T75 WeakPolarHBondContact O-CB 3.45Å; Q71-T75 WeakPolarHBondContact O-CG2 3.33Å; Q71-T75 PolarHBondContact O-N 3.11Å; Q71-T75 PolarHBondContact O-OG1 3.32Å; F72-T75 PolarHBondContact O-N 3.24Å; F72-T75 PolarHBondContact O-OG1 3Å
76K89Confident93.6Very high102 Ų10261.8 Ų61.844%0.44331%0.308SS..Hα-helixtrans-93-39.9-177.1-65-60.6-159.994.90113.6E47 F72E47-K76 VanDerWaalsContact CD-NZ 3.29Å; E47-K76 IonicContact OE1-NZ 3.64Å; E47-K76 PolarHBondContact OE1-NZ 3.04Å; E47-K76 IonicContact OE2-NZ 2.76Å; E47-K76 PolarHBondContact OE2-NZ 2.91Å; F72-K76 HydrophobicContact CD2-CB 4.48Å; F72-K76 HydrophobicContact CD2-CG 3.9Å; F72-K76 HydrophobicContact CE1-CB 4.34Å; F72-K76 HydrophobicContact CE2-CB 4.08Å; F72-K76 HydrophobicContact CE2-CG 3.61Å; F72-K76 HydrophobicContact CZ-CB 3.98Å; F72-K76 HydrophobicContact CZ-CG 4.03Å; F72-K76 WeakPolarHBondContact O-CB 3.3Å; F72-K76 PolarHBondContact O-N 2.94Å
77A86.5Confident93.6Very high17 Ų1765.4 Ų65.414%0.1432%0.322CS..SBendtrans-105.1-5-177.400000113.8Y46 M73 I79Y46-A77 HydrophobicContact CD2-CB 4.49Å; Y46-A77 HydrophobicContact CE1-CB 3.92Å; Y46-A77 HydrophobicContact CE2-CB 3.83Å; Y46-A77 WeakPolarHBondContact OH-CA 3.44Å; M73-A77 HydrophobicContact CE-CB 3.52Å; M73-A77 CarbonylContact O-C 3.4Å; M73-A77 WeakPolarHBondContact O-CA 3.49Å; M73-A77 WeakPolarHBondContact O-CB 3.29Å; M73-A77 PolarHBondContact O-N 3.12Å; M73-A77 HydrophobicContact SD-CB 4.3Å; A77-I79 HydrophobicContact CB-CD1 4.25Å; A77-I79 HydrophobicContact CB-CG1 4.08Å; A77-I79 WeakPolarHBondContact O-CG1 3.32Å; A77-I79 PolarHBondContact O-N 2.96Å; A77-I79 VanDerWaalsContact O-N 3.16Å
78H90.1Very high93.5Very high158 Ų15863.1 Ų63.173%0.73131%0.313SS*.  trans55.522.7-172.3-56.4-59.4000115M73 A74M73-H78 PolarHBondContact O-N 3.47Å; A74-H78 WeakPolarHBondContact O-CA 3.24Å
79I91.8Very high93.5Very high22 Ų2262 Ų6211%0.11331%0.305CS..  trans-94.8111.6178.8-58.8-178.2000109.8M73 A74 A77 L81 K99 V103M73-I79 CarbonylContact C-O 3.39Å; M73-I79 HydrophobicContact CE-CB 4.29Å; M73-I79 HydrophobicContact CE-CD1 3.79Å; M73-I79 HydrophobicContact CE-CG1 4.37Å; M73-I79 PolarHBondContact O-N 3.35Å; A74-I79 PolarHBondContact N-O 3.47Å; A77-I79 HydrophobicContact CB-CD1 4.25Å; A77-I79 HydrophobicContact CB-CG1 4.08Å; A77-I79 WeakPolarHBondContact O-CG1 3.32Å; A77-I79 PolarHBondContact O-N 2.96Å; A77-I79 VanDerWaalsContact O-N 3.16Å; I79-L81 HydrophobicContact CG2-CD2 3.85Å; I79-L81 HydrophobicContact CG2-CG 4.24Å; I79-L81 PolarHBondContact O-N 2.81Å; I79-K99 HydrophobicContact CG2-CB 3.83Å; I79-K99 HydrophobicContact CG2-CD 4.43Å; I79-V103 HydrophobicContact CD1-CB 4.31Å; I79-V103 HydrophobicContact CD1-CG2 3.96Å
80K94.6Very high93.2Very high178 Ų17863.7 Ų63.777%0.77431%0.313SS*.  trans-80.5114.6174.3-64.1-177.1-177.8179.30111.2K99K80-K99 PolarHBondContact O-NZ 3.27Å
81L94Very high92.9Very high23 Ų2363.4 Ų63.412%0.1231%0.312CS..  trans-104.5144.2-179.8-61.9174.2000111.5I69 M73 I79 T83 L86 E96 K99 I100I69-L81 HydrophobicContact CG2-CD1 4.41Å; M73-L81 HydrophobicContact CB-CD1 3.72Å; M73-L81 HydrophobicContact CB-CG 4.38Å; M73-L81 HydrophobicContact CG-CD1 3.81Å; I79-L81 HydrophobicContact CG2-CD2 3.85Å; I79-L81 HydrophobicContact CG2-CG 4.24Å; I79-L81 PolarHBondContact O-N 2.81Å; L81-T83 PolarHBondContact O-N 2.92Å; L81-L86 HydrophobicContact CB-CD1 4.05Å; L81-L86 HydrophobicContact CD1-CD1 4.17Å; L81-E96 HydrophobicContact CD2-CB 4.34Å; L81-K99 HydrophobicContact CD2-CB 4.35Å; L81-K99 HydrophobicContact CD2-CD 4.04Å; L81-I100 HydrophobicContact CD1-CD1 3.85Å; L81-I100 HydrophobicContact CD1-CG1 4.38Å; L81-I100 HydrophobicContact CD2-CD1 4.31Å; L81-I100 HydrophobicContact CD2-CG1 4.07Å
82N96.3Very high92.8Very high64 Ų6462.6 Ų62.634%0.34230%0.304SS..  trans-88103.9172.8-172.3-57.3000110.4K84 K85 L86 E96N82-K84 VanDerWaalsContact C-N 3.33Å; N82-K84 PolarHBondContact O-N 2.81Å; N82-K84 WeakPolarHBondContact OD1-CB 3.3Å; N82-K84 PolarHBondContact OD1-N 3.17Å; N82-K85 HydrophobicContact CB-CB 4.23Å; N82-K85 HydrophobicContact CB-CD 4.08Å; N82-K85 HydrophobicContact CB-CG 4.25Å; N82-K85 PolarHBondContact O-N 3.21Å; N82-K85 PolarHBondContact OD1-N 2.91Å; N82-L86 PolarHBondContact O-N 2.78Å; N82-L86 VanDerWaalsContact O-N 3.11Å; N82-E96 HydrophobicContact CB-CG 4.11Å; N82-E96 PolarHBondContact N-OE2 3.07Å
83T95.9Very high92.8Very high64 Ų6461.5 Ų61.539%0.39330%0.299SS..Hα-helixtrans-58.6-38.9-178.650.20000113.4I66 A70 L81 K85 L86 Y87I66-T83 HydrophobicContact CG2-CG2 3.85Å; A70-T83 HydrophobicContact CB-CG2 3.56Å; L81-T83 PolarHBondContact O-N 2.92Å; T83-K85 PolarHBondContact O-N 3.48Å; T83-L86 PolarHBondContact O-N 3.15Å; T83-Y87 WeakPolarHBondContact O-CB 3.43Å; T83-Y87 PolarHBondContact O-N 3.16Å
84K95.7Very high92.9Very high153 Ų15361.5 Ų61.567%0.66530%0.299SS*.Hα-helixtrans-62.5-43.8178.2-173.5174.2-178.5175.20111.6N82 Y87 Q88N82-K84 VanDerWaalsContact C-N 3.33Å; N82-K84 PolarHBondContact O-N 2.81Å; N82-K84 WeakPolarHBondContact OD1-CB 3.3Å; N82-K84 PolarHBondContact OD1-N 3.17Å; K84-Y87 PolarHBondContact O-N 3.4Å; K84-Q88 VanDerWaalsContact O-CG 3.31Å; K84-Q88 WeakPolarHBondContact O-CG 3.46Å; K84-Q88 PolarHBondContact O-N 3.27Å
85K95Very high92.9Very high66 Ų6664 Ų6429%0.28730%0.303SS..Hα-helixtrans-67.9-37.4177-70.1179.7-173.7170.40112.9N82 T83 A89 A93 E96N82-K85 HydrophobicContact CB-CB 4.23Å; N82-K85 HydrophobicContact CB-CD 4.08Å; N82-K85 HydrophobicContact CB-CG 4.25Å; N82-K85 PolarHBondContact O-N 3.21Å; N82-K85 PolarHBondContact OD1-N 2.91Å; T83-K85 PolarHBondContact O-N 3.48Å; K85-A89 PolarHBondContact O-N 3.34Å; K85-A93 VanDerWaalsContact O-CA 3.31Å; K85-A93 WeakPolarHBondContact O-CA 3.5Å; K85-A93 VanDerWaalsContact O-CB 3.28Å; K85-A93 WeakPolarHBondContact O-CB 3.34Å; K85-A93 PolarHBondContact O-N 3.33Å; K85-E96 HydrophobicContact CB-CG 3.9Å; K85-E96 HydrophobicContact CD-CG 4.15Å; K85-E96 IonicContact NZ-OE1 2.67Å
86L95.6Very high93.1Very high0 Ų060.4 Ų60.40%028%0.28CS..Hα-helixtrans-65.6-41.3174.1-68.2174.7000111.3L39 I66 L81 N82 T83 A89 E96 L97L39-L86 HydrophobicContact CD1-CD1 4.24Å; L39-L86 HydrophobicContact CD1-CD2 4.23Å; L39-L86 HydrophobicContact CD2-CD1 4.44Å; L39-L86 HydrophobicContact CD2-CD2 4.24Å; I66-L86 HydrophobicContact CD1-CB 3.87Å; I66-L86 HydrophobicContact CG2-CB 4.38Å; L81-L86 HydrophobicContact CB-CD1 4.05Å; L81-L86 HydrophobicContact CD1-CD1 4.17Å; N82-L86 PolarHBondContact O-N 2.78Å; N82-L86 VanDerWaalsContact O-N 3.11Å; T83-L86 PolarHBondContact O-N 3.15Å; L86-A89 PolarHBondContact O-N 2.89Å; L86-E96 HydrophobicContact CD2-CB 3.57Å; L86-E96 HydrophobicContact CD2-CG 4.46Å; L86-E96 HydrophobicContact CG-CB 3.94Å; L86-E96 HydrophobicContact CG-CG 4.45Å; L86-L97 HydrophobicContact CD2-CD2 4.05Å; L86-L97 HydrophobicContact CD2-CG 4.36Å
87Y96.1Very high93.3Very high80 Ų8055.5 Ų55.531%0.31426%0.258SS..Hα-helixtrans-68.3-34.4177.4-167.9-90.9000113.4F32 R62 V63 I66 T83 K84 A89F32-Y87 HydrophobicContact CD2-CD2 4.46Å; F32-Y87 AromaticContact CE2-CD2 3.86Å; F32-Y87 HydrophobicContact CE2-CD2 3.86Å; F32-Y87 HydrophobicContact CE2-CE2 4.32Å; R62-Y87 HydrophobicContact CB-CD2 4.45Å; R62-Y87 HydrophobicContact CB-CE2 3.69Å; V63-Y87 HydrophobicContact CG2-CD2 4.28Å; V63-Y87 HydrophobicContact CG2-CE2 3.76Å; I66-Y87 HydrophobicContact CG1-CD2 4.36Å; T83-Y87 WeakPolarHBondContact O-CB 3.43Å; T83-Y87 PolarHBondContact O-N 3.16Å; K84-Y87 PolarHBondContact O-N 3.4Å; Y87-A89 PolarHBondContact O-N 3.18Å
88Q93.8Very high93.7Very high80 Ų8055.8 Ų55.837%0.37426%0.258SS..Hα-helixtrans-58.2-26.7171.4-78.5172.8-44.600112.9P30 K84 D90P30-Q88 WeakPolarHBondContact CB-O 3.26Å; K84-Q88 VanDerWaalsContact O-CG 3.31Å; K84-Q88 WeakPolarHBondContact O-CG 3.46Å; K84-Q88 PolarHBondContact O-N 3.27Å; Q88-D90 PolarHBondContact O-N 3.18Å
89A93.2Very high93.9Very high1 Ų152.1 Ų52.11%0.00824%0.239CC..  trans52.722.4171.100000116.7N31 F32 V35 K85 L86 Y87N31-A89 PolarHBondContact N-O 2.71Å; F32-A89 VanDerWaalsContact CA-CB 3.48Å; F32-A89 HydrophobicContact CB-CB 3.97Å; F32-A89 HydrophobicContact CD2-CB 4.19Å; V35-A89 HydrophobicContact CB-CB 4.22Å; V35-A89 HydrophobicContact CG2-CB 3.91Å; K85-A89 PolarHBondContact O-N 3.34Å; L86-A89 PolarHBondContact O-N 2.89Å; Y87-A89 PolarHBondContact O-N 3.18Å
90D90.3Very high94Very high34 Ų3451.1 Ų51.118%0.18223%0.234CC..SBendtrans-105.8-161.8178.267.44.5000110.6Q88 Y92 A93Q88-D90 PolarHBondContact O-N 3.18Å; D90-Y92 PolarHBondContact O-N 3.33Å; D90-Y92 WeakPolarHBondContact OD1-CB 3.34Å; D90-Y92 WeakPolarHBondContact OD1-CD2 3.4Å; D90-Y92 PolarHBondContact OD1-N 3.46Å; D90-Y92 WeakPolarHBondContact OD2-CD2 3.35Å; D90-A93 VanDerWaalsContact O-CB 3.3Å; D90-A93 WeakPolarHBondContact O-CB 3.28Å; D90-A93 PolarHBondContact O-N 3.22Å
91G89.3Confident94Very high8 Ų842.7 Ų42.78%0.08220%0.197CC..THydrogen-bonded Turntrans-58.6-12.6175.600000116.2M1 F27M1-G91 WeakPolarHBondContact CG-O 3.32Å; M1-G91 WeakPolarHBondContact SD-CA 3.22Å; F27-G91 PolarHBondContact O-N 3.47Å; F27-G91 VanDerWaalsContact O-N 3.07Å
92Y91.6Very high93.9Very high115 Ų11543.2 Ų43.245%0.45120%0.203SC..THydrogen-bonded Turntrans-81.9-28.9171-64.6-81.2000112.7D90 V94 K95D90-Y92 PolarHBondContact O-N 3.33Å; D90-Y92 WeakPolarHBondContact OD1-CB 3.34Å; D90-Y92 WeakPolarHBondContact OD1-CD2 3.4Å; D90-Y92 PolarHBondContact OD1-N 3.46Å; D90-Y92 WeakPolarHBondContact OD2-CD2 3.35Å; Y92-V94 VanDerWaalsContact C-N 3.26Å; Y92-V94 PolarHBondContact O-N 2.58Å; Y92-K95 PolarHBondContact O-N 2.89Å
93A94.3Very high93.7Very high0 Ų043.6 Ų43.60%021%0.208CC..Hα-helixtrans-60-39174.700000111.4V35 K85 D90 K95 E96 L97V35-A93 HydrophobicContact CG2-CB 4.16Å; K85-A93 VanDerWaalsContact O-CA 3.31Å; K85-A93 WeakPolarHBondContact O-CA 3.5Å; K85-A93 VanDerWaalsContact O-CB 3.28Å; K85-A93 WeakPolarHBondContact O-CB 3.34Å; K85-A93 PolarHBondContact O-N 3.33Å; D90-A93 VanDerWaalsContact O-CB 3.3Å; D90-A93 WeakPolarHBondContact O-CB 3.28Å; D90-A93 PolarHBondContact O-N 3.22Å; A93-K95 PolarHBondContact O-N 2.89Å; A93-E96 WeakPolarHBondContact O-CA 3.3Å; A93-E96 WeakPolarHBondContact O-CB 3.36Å; A93-E96 PolarHBondContact O-N 3.37Å; A93-L97 WeakPolarHBondContact O-CG 3.44Å; A93-L97 PolarHBondContact O-N 3.05Å
94V93.8Very high93.4Very high0 Ų041.7 Ų41.70%020%0.195CC..Hα-helixtrans-59.9-31.7-177.7-177.80000113M1 L6 F9 F27 Y92 E96 L97 L98M1-V94 HydrophobicContact CE-CB 3.4Å; M1-V94 VanDerWaalsContact CE-CB 3.4Å; M1-V94 HydrophobicContact CE-CG1 3.41Å; M1-V94 VanDerWaalsContact CE-CG1 3.41Å; M1-V94 HydrophobicContact CE-CG2 3.84Å; M1-V94 HydrophobicContact SD-CB 4.46Å; M1-V94 HydrophobicContact SD-CG2 4.45Å; L6-V94 HydrophobicContact CD1-CG1 4.09Å; L6-V94 HydrophobicContact CD1-CG2 4.02Å; F9-V94 HydrophobicContact CB-CG1 3.64Å; F9-V94 HydrophobicContact CD1-CG1 3.67Å; F9-V94 HydrophobicContact CD2-CG1 4.39Å; F9-V94 HydrophobicContact CE1-CG1 4.47Å; F9-V94 HydrophobicContact CG-CG1 3.63Å; F27-V94 HydrophobicContact CB-CG2 4.19Å; F27-V94 HydrophobicContact CD1-CG2 3.37Å; F27-V94 HydrophobicContact CD2-CG2 3.86Å; F27-V94 HydrophobicContact CE1-CG2 3.54Å; F27-V94 HydrophobicContact CE2-CG2 3.99Å; F27-V94 HydrophobicContact CG-CG2 3.53Å; F27-V94 HydrophobicContact CZ-CG2 3.85Å; Y92-V94 VanDerWaalsContact C-N 3.26Å; Y92-V94 PolarHBondContact O-N 2.58Å; V94-E96 PolarHBondContact O-N 2.98Å; V94-L97 PolarHBondContact O-N 3.15Å; V94-L98 HydrophobicContact CG1-CD1 4.47Å; V94-L98 HydrophobicContact CG1-CG 4.48Å; V94-L98 WeakPolarHBondContact O-CB 3.33Å; V94-L98 WeakPolarHBondContact O-CG 3.29Å; V94-L98 PolarHBondContact O-N 3.07Å
95K92.6Very high93.1Very high94 Ų9436.4 Ų36.441%0.40917%0.171SC..Hα-helixtrans-64.7-29.6173.8-71.9-167.4166.4-166.40112.8D5 Y92 A93D5-K95 WeakPolarHBondContact OD2-CE 3.4Å; D5-K95 IonicContact OD2-NZ 2.68Å; Y92-K95 PolarHBondContact O-N 2.89Å; A93-K95 PolarHBondContact O-N 2.89Å
96E94.9Very high92.8Very high9 Ų937.5 Ų37.54%0.04218%0.18CC..Hα-helixtrans-83.6-40.2176.3-55.2-62.7140.300110.5L81 N82 K85 L86 A93 V94 L98 K99L81-E96 HydrophobicContact CD2-CB 4.34Å; N82-E96 HydrophobicContact CB-CG 4.11Å; N82-E96 PolarHBondContact N-OE2 3.07Å; K85-E96 HydrophobicContact CB-CG 3.9Å; K85-E96 HydrophobicContact CD-CG 4.15Å; K85-E96 IonicContact NZ-OE1 2.67Å; L86-E96 HydrophobicContact CD2-CB 3.57Å; L86-E96 HydrophobicContact CD2-CG 4.46Å; L86-E96 HydrophobicContact CG-CB 3.94Å; L86-E96 HydrophobicContact CG-CG 4.45Å; A93-E96 WeakPolarHBondContact O-CA 3.3Å; A93-E96 WeakPolarHBondContact O-CB 3.36Å; A93-E96 PolarHBondContact O-N 3.37Å; V94-E96 PolarHBondContact O-N 2.98Å; E96-L98 VanDerWaalsContact C-N 3.3Å; E96-L98 PolarHBondContact O-N 3.06Å; E96-K99 WeakPolarHBondContact O-CB 3.38Å; E96-K99 PolarHBondContact O-N 3.09Å; E96-K99 VanDerWaalsContact O-N 3.14Å; E96-K99 IonicContact OE1-NZ 3.67Å; E96-K99 PolarHBondContact OE1-NZ 3.04Å; E96-K99 WeakPolarHBondContact OE2-CE 3.48Å; E96-K99 IonicContact OE2-NZ 2.81Å; E96-K99 PolarHBondContact OE2-NZ 2.74Å
97L94.9Very high92.3Very high0 Ų040.3 Ų40.30%020%0.203CC..Hα-helixtrans-57.7-40.6172-61.8177.8000112.3F9 F27 V38 L39 L86 A93 V94 K99 I100 T101F9-L97 HydrophobicContact CD2-CB 4.21Å; F9-L97 HydrophobicContact CE1-CD1 4.16Å; F9-L97 HydrophobicContact CE2-CB 3.67Å; F9-L97 HydrophobicContact CE2-CD1 4.23Å; F9-L97 HydrophobicContact CZ-CB 4.07Å; F9-L97 HydrophobicContact CZ-CD1 3.73Å; F27-L97 HydrophobicContact CE1-CD1 4.21Å; F27-L97 HydrophobicContact CZ-CD1 4.17Å; V38-L97 HydrophobicContact CG1-CD1 4.1Å; V38-L97 HydrophobicContact CG1-CD2 3.94Å; L39-L97 HydrophobicContact CD2-CD2 3.4Å; L39-L97 HydrophobicContact CG-CD2 3.71Å; L86-L97 HydrophobicContact CD2-CD2 4.05Å; L86-L97 HydrophobicContact CD2-CG 4.36Å; A93-L97 WeakPolarHBondContact O-CG 3.44Å; A93-L97 PolarHBondContact O-N 3.05Å; V94-L97 PolarHBondContact O-N 3.15Å; L97-K99 PolarHBondContact O-N 3.48Å; L97-I100 PolarHBondContact O-N 3.27Å; L97-T101 WeakPolarHBondContact O-CB 3.18Å; L97-T101 PolarHBondContact O-N 3.42Å; L97-T101 PolarHBondContact O-OG1 3.26Å
98L94.3Very high91.8Very high23 Ų2339.9 Ų39.912%0.1221%0.205CC..Hα-helixtrans-59.2-31176.8-88.5171.4000113.5D5 F9 M12 V94 E96 I100 T101 S102D5-L98 HydrophobicContact CB-CD1 3.86Å; F9-L98 HydrophobicContact CB-CD1 4.49Å; F9-L98 HydrophobicContact CB-CD2 3.75Å; F9-L98 HydrophobicContact CB-CG 3.94Å; F9-L98 HydrophobicContact CD2-CD2 4.28Å; F9-L98 HydrophobicContact CD2-CG 4.33Å; M12-L98 HydrophobicContact SD-CD2 4.32Å; V94-L98 HydrophobicContact CG1-CD1 4.47Å; V94-L98 HydrophobicContact CG1-CG 4.48Å; V94-L98 WeakPolarHBondContact O-CB 3.33Å; V94-L98 WeakPolarHBondContact O-CG 3.29Å; V94-L98 PolarHBondContact O-N 3.07Å; E96-L98 VanDerWaalsContact C-N 3.3Å; E96-L98 PolarHBondContact O-N 3.06Å; L98-I100 VanDerWaalsContact C-N 3.33Å; L98-I100 PolarHBondContact O-N 3.35Å; L98-T101 PolarHBondContact O-N 2.54Å; L98-S102 WeakPolarHBondContact O-CB 3.25Å; L98-S102 PolarHBondContact O-N 3.37Å; L98-S102 PolarHBondContact O-OG 3.01Å
99K94.3Very high91.1Very high81 Ų8141.1 Ų41.135%0.35221%0.209SC..Hα-helixtrans-61.7-44.2178.1-64.4171.3173.3177.60111.1I79 K80 L81 E96 L97 V103I79-K99 HydrophobicContact CG2-CB 3.83Å; I79-K99 HydrophobicContact CG2-CD 4.43Å; K80-K99 PolarHBondContact O-NZ 3.27Å; L81-K99 HydrophobicContact CD2-CB 4.35Å; L81-K99 HydrophobicContact CD2-CD 4.04Å; E96-K99 WeakPolarHBondContact O-CB 3.38Å; E96-K99 PolarHBondContact O-N 3.09Å; E96-K99 VanDerWaalsContact O-N 3.14Å; E96-K99 IonicContact OE1-NZ 3.67Å; E96-K99 PolarHBondContact OE1-NZ 3.04Å; E96-K99 WeakPolarHBondContact OE2-CE 3.48Å; E96-K99 IonicContact OE2-NZ 2.81Å; E96-K99 PolarHBondContact OE2-NZ 2.74Å; L97-K99 PolarHBondContact O-N 3.48Å; K99-V103 WeakPolarHBondContact O-CG2 3.46Å
100I94.2Very high89.8Confident1 Ų146 Ų461%0.00524%0.239CC..Hα-helixtrans-71.7-50.1177.7-44.1179.8000110L39 L42 M73 L81 L97 L98 S102 V103 L104L39-I100 HydrophobicContact CD2-CD1 3.9Å; L42-I100 HydrophobicContact CB-CG2 4.01Å; L42-I100 HydrophobicContact CD1-CB 4.29Å; L42-I100 HydrophobicContact CD1-CG2 4.38Å; L42-I100 HydrophobicContact CD2-CG2 4.39Å; M73-I100 HydrophobicContact CE-CB 4.27Å; M73-I100 HydrophobicContact CE-CD1 4.2Å; M73-I100 HydrophobicContact CE-CG1 3.96Å; M73-I100 HydrophobicContact CE-CG2 3.62Å; M73-I100 HydrophobicContact CG-CD1 4.18Å; M73-I100 HydrophobicContact SD-CD1 4.49Å; M73-I100 HydrophobicContact SD-CG2 4.5Å; L81-I100 HydrophobicContact CD1-CD1 3.85Å; L81-I100 HydrophobicContact CD1-CG1 4.38Å; L81-I100 HydrophobicContact CD2-CD1 4.31Å; L81-I100 HydrophobicContact CD2-CG1 4.07Å; L97-I100 PolarHBondContact O-N 3.27Å; L98-I100 VanDerWaalsContact C-N 3.33Å; L98-I100 PolarHBondContact O-N 3.35Å; I100-S102 VanDerWaalsContact C-N 3.35Å; I100-S102 PolarHBondContact O-N 3.45Å; I100-V103 PolarHBondContact O-N 2.91Å; I100-L104 HydrophobicContact CG2-CD1 4.22Å; I100-L104 PolarHBondContact O-N 3.05Å; I100-L104 VanDerWaalsContact O-N 3.16Å
101T94.3Very high88.3Confident0 Ų053.2 Ų53.20%027%0.269CS..Hα-helixtrans-60.5-42.4-174.5-50.40000111.7F9 M12 M13 L16 L97 L98 V103 L104 Y105F9-T101 HydrophobicContact CD2-CG2 4.28Å; F9-T101 HydrophobicContact CE2-CG2 4.42Å; F9-T101 WeakPolarHBondContact CE2-OG1 3.31Å; M12-T101 HydrophobicContact CB-CG2 3.65Å; M12-T101 HydrophobicContact SD-CG2 4.5Å; M13-T101 HydrophobicContact CG-CG2 4.01Å; M13-T101 HydrophobicContact SD-CG2 3.75Å; L16-T101 HydrophobicContact CD1-CG2 3.78Å; L97-T101 WeakPolarHBondContact O-CB 3.18Å; L97-T101 PolarHBondContact O-N 3.42Å; L97-T101 PolarHBondContact O-OG1 3.26Å; L98-T101 PolarHBondContact O-N 2.54Å; T101-V103 PolarHBondContact O-N 3.26Å; T101-L104 PolarHBondContact O-N 3.34Å; T101-Y105 WeakPolarHBondContact O-CB 3.38Å; T101-Y105 PolarHBondContact O-N 3.3Å
102S92.1Very high86.5Confident35 Ų3555.5 Ų55.525%0.24529%0.292CS..Hα-helixtrans-65-38.6179.7-56.50000112.3L98 I100 N106L98-S102 WeakPolarHBondContact O-CB 3.25Å; L98-S102 PolarHBondContact O-N 3.37Å; L98-S102 PolarHBondContact O-OG 3.01Å; I100-S102 VanDerWaalsContact C-N 3.35Å; I100-S102 PolarHBondContact O-N 3.45Å; S102-N106 VanDerWaalsContact O-CB 3.25Å; S102-N106 WeakPolarHBondContact O-CB 3.39Å; S102-N106 PolarHBondContact O-N 2.72Å; S102-N106 PolarHBondContact O-ND2 3.23Å
103V91.4Very high84.3Confident72 Ų7255.9 Ų55.944%0.43630%0.299SS..Hα-helixtrans-65.7-48.7178.1171.60000110.5I79 K99 I100 T101 N106 A107I79-V103 HydrophobicContact CD1-CB 4.31Å; I79-V103 HydrophobicContact CD1-CG2 3.96Å; K99-V103 WeakPolarHBondContact O-CG2 3.46Å; I100-V103 PolarHBondContact O-N 2.91Å; T101-V103 PolarHBondContact O-N 3.26Å; V103-N106 PolarHBondContact O-N 3.12Å; V103-A107 WeakPolarHBondContact O-CB 3.37Å; V103-A107 PolarHBondContact O-N 3.33Å
104L89.4Confident81.9Confident24 Ų2465.2 Ų65.213%0.12634%0.343CS..Hα-helixtrans-62.7-43.4176.4-71.5173.9000112.1L16 L42 R45 Y46 I100 T101 A107 M108L16-L104 HydrophobicContact CD1-CB 4.01Å; L16-L104 HydrophobicContact CD2-CB 4Å; L42-L104 HydrophobicContact CD2-CD1 3.76Å; R45-L104 HydrophobicContact CB-CD1 4.37Å; R45-L104 HydrophobicContact CG-CD1 4.32Å; Y46-L104 HydrophobicContact CD2-CD2 4.01Å; I100-L104 HydrophobicContact CG2-CD1 4.22Å; I100-L104 PolarHBondContact O-N 3.05Å; I100-L104 VanDerWaalsContact O-N 3.16Å; T101-L104 PolarHBondContact O-N 3.34Å; L104-A107 PolarHBondContact O-N 3.42Å; L104-M108 WeakPolarHBondContact O-CB 3.46Å; L104-M108 PolarHBondContact O-N 3.28Å
105Y90.8Very high79.6Confident42 Ų4268.4 Ų68.417%0.16538%0.376CS..Hα-helixtrans-65.6-40.5-179.8177.7-100.9000112.2M12 A15 L16 T101 M108 K109M12-Y105 HydrophobicContact CB-CD2 4.06Å; M12-Y105 HydrophobicContact CB-CG 4.11Å; M12-Y105 HydrophobicContact CE-CD1 3.82Å; M12-Y105 HydrophobicContact CE-CE1 4.06Å; M12-Y105 HydrophobicContact CG-CD1 3.82Å; M12-Y105 HydrophobicContact CG-CD2 3.98Å; M12-Y105 HydrophobicContact CG-CE1 4.08Å; M12-Y105 HydrophobicContact CG-CE2 4.25Å; M12-Y105 HydrophobicContact CG-CG 3.75Å; M12-Y105 HydrophobicContact SD-CD1 4.07Å; M12-Y105 HydrophobicContact SD-CG 4.24Å; A15-Y105 HydrophobicContact CB-CD2 4.05Å; A15-Y105 HydrophobicContact CB-CE2 3.57Å; L16-Y105 HydrophobicContact CG-CD2 4.49Å; T101-Y105 WeakPolarHBondContact O-CB 3.38Å; T101-Y105 PolarHBondContact O-N 3.3Å; Y105-M108 HydrophobicContact CD2-CE 4.02Å; Y105-M108 HydrophobicContact CE2-CE 4.24Å; Y105-M108 PolarHBondContact O-N 3.43Å; Y105-K109 HydrophobicContact CD1-CD 4.38Å; Y105-K109 HydrophobicContact CE1-CD 3.68Å; Y105-K109 HydrophobicContact CE1-CG 4.45Å; Y105-K109 PolarHBondContact O-N 3.21Å; Y105-K109 WeakPolarHBondContact OH-CE 3.23Å; Y105-K109 PolarHBondContact OH-NZ 2.98Å
106N87.9Confident77.1Confident89 Ų8968.6 Ų68.648%0.47639%0.389SS..Hα-helixtrans-67-41.9175.5-70.6-18.2000111.6S102 V103 M108 K109 T110S102-N106 VanDerWaalsContact O-CB 3.25Å; S102-N106 WeakPolarHBondContact O-CB 3.39Å; S102-N106 PolarHBondContact O-N 2.72Å; S102-N106 PolarHBondContact O-ND2 3.23Å; V103-N106 PolarHBondContact O-N 3.12Å; N106-M108 VanDerWaalsContact C-N 3.29Å; N106-M108 PolarHBondContact O-N 3.16Å; N106-K109 PolarHBondContact O-N 2.99Å; N106-K109 VanDerWaalsContact O-N 3.16Å; N106-T110 PolarHBondContact O-N 3.31Å; N106-T110 PolarHBondContact O-OG1 3.38Å
107A85.5Confident74.9Confident58 Ų5878.4 Ų78.448%0.47943%0.432SS..Hα-helixtrans-64.2-32.4174.900000113V103 L104 T110 K111V103-A107 WeakPolarHBondContact O-CB 3.37Å; V103-A107 PolarHBondContact O-N 3.33Å; L104-A107 PolarHBondContact O-N 3.42Å; A107-T110 PolarHBondContact O-OG1 2.86Å; A107-T110 VanDerWaalsContact O-OG1 3.06Å; A107-K111 PolarHBondContact O-N 2.85Å
108M84.1Confident72.4Confident71 Ų7183.7 Ų83.735%0.3546%0.464SS..Hα-helixtrans-70.1-41.7171.2-172-174.571.600111.5A15 L16 L104 Y105 N106 K111 G112A15-M108 HydrophobicContact CB-CE 4.16Å; A15-M108 WeakPolarHBondContact O-CE 3.32Å; L16-M108 HydrophobicContact CD2-CB 4.27Å; L16-M108 HydrophobicContact CD2-CE 4.39Å; L16-M108 HydrophobicContact CD2-SD 3.99Å; L104-M108 WeakPolarHBondContact O-CB 3.46Å; L104-M108 PolarHBondContact O-N 3.28Å; Y105-M108 HydrophobicContact CD2-CE 4.02Å; Y105-M108 HydrophobicContact CE2-CE 4.24Å; Y105-M108 PolarHBondContact O-N 3.43Å; N106-M108 VanDerWaalsContact C-N 3.29Å; N106-M108 PolarHBondContact O-N 3.16Å; M108-K111 PolarHBondContact O-N 3.03Å; M108-G112 PolarHBondContact O-N 3.13Å
109K79.2Confident69.8Low106 Ų10685.4 Ų85.446%0.46149%0.487SS..Hα-helixtrans-63.7-43.5177.3-99.4-175.7164.3171.80113.1Y105 N106 K111 G112 M113Y105-K109 HydrophobicContact CD1-CD 4.38Å; Y105-K109 HydrophobicContact CE1-CD 3.68Å; Y105-K109 HydrophobicContact CE1-CG 4.45Å; Y105-K109 PolarHBondContact O-N 3.21Å; Y105-K109 WeakPolarHBondContact OH-CE 3.23Å; Y105-K109 PolarHBondContact OH-NZ 2.98Å; N106-K109 PolarHBondContact O-N 2.99Å; N106-K109 VanDerWaalsContact O-N 3.16Å; K109-K111 PolarHBondContact O-N 3.31Å; K109-G112 CarbonylContact O-C 3.59Å; K109-G112 PolarHBondContact O-N 2.96Å; K109-G112 VanDerWaalsContact O-N 3.11Å; K109-M113 PolarHBondContact O-N 3.49Å; K109-M113 VanDerWaalsContact O-N 3.12Å
110T67.6Low67.4Low105 Ų10589.7 Ų89.764%0.64451%0.508SS*.Hα-helixtrans-62.2-35.117752.40000111.9N106 A107N106-T110 PolarHBondContact O-N 3.31Å; N106-T110 PolarHBondContact O-OG1 3.38Å; A107-T110 PolarHBondContact O-OG1 2.86Å; A107-T110 VanDerWaalsContact O-OG1 3.06Å
111K58.9Low65.1Low185 Ų18598.1 Ų98.180%0.80455%0.548SS*.Hα-helixtrans-77.4-19.2175.5-146.7175.8-172.7-179.50114.1A107 M108 K109A107-K111 PolarHBondContact O-N 2.85Å; M108-K111 PolarHBondContact O-N 3.03Å; K109-K111 PolarHBondContact O-N 3.31Å
112G51.5Low62.7Low55 Ų55102.8 Ų102.857%0.56757%0.572SS**Hα-helixtrans-94-1.617500000114.8M108 K109 E114M108-G112 PolarHBondContact O-N 3.13Å; K109-G112 CarbonylContact O-C 3.59Å; K109-G112 PolarHBondContact O-N 2.96Å; K109-G112 VanDerWaalsContact O-N 3.11Å; G112-E114 VanDerWaalsContact C-N 3.35Å; G112-E114 PolarHBondContact O-N 2.92Å
113M44.2Very low60.5Low123 Ų123107.6 Ų107.661%0.60659%0.594SS**G310 helixtrans-82.3-6.4-171.4-143.590.4160.600114.2K109 G115 V118K109-M113 PolarHBondContact O-N 3.49Å; K109-M113 VanDerWaalsContact O-N 3.12Å; M113-G115 PolarHBondContact O-N 2.98Å; M113-V118 HydrophobicContact CE-CG2 4.16Å
114E45Very low58.3Low196 Ų196109.7 Ų109.792%0.91661%0.612SS**G310 helixtrans-71.6-11.5179.1-66.6-172.9151.400113.6G112G112-E114 VanDerWaalsContact C-N 3.35Å; G112-E114 PolarHBondContact O-N 2.92Å
115G45.3Very low56.3Low67 Ų67116.1 Ų116.169%0.69164%0.639SS**G310 helixtrans-112.8-6.6-166.200000118.2M113M113-G115 PolarHBondContact O-N 2.98Å
116S39.6Very low54.2Low98 Ų98122.3 Ų122.369%0.68567%0.667SS**  trans-138.7120.3-173.7-75.90000113.4V118S116-V118 PolarHBondContact O-N 3.31Å
117K47.8Very low52.3Low215 Ų215128 Ų12894%0.93569%0.688SS**PPolyproline II helixtrans-56.1119.5173.7-66.3178.6177.7179.80110.1G119K117-G119 PolarHBondContact O-N 3.45Å
118V43.8Very low50.7Low112 Ų112132.1 Ų132.168%0.67970%0.695SS**PPolyproline II helixtrans-74.7116.6173.7176.30000108.6M113 S116M113-V118 HydrophobicContact CE-CG2 4.16Å; S116-V118 PolarHBondContact O-N 3.31Å
119G38.5Very low49.3Very low59 Ų59133.9 Ų133.961%0.60871%0.706SS**PPolyproline II helixtrans-70.8145163.600000110.3K117 E121K117-G119 PolarHBondContact O-N 3.45Å; G119-E121 PolarHBondContact O-N 2.84Å
120E45.6Very low48.1Very low171 Ų171133.3 Ų133.380%0.79971%0.707SS**G310 helixtrans-71.47.6-164.3-63-179.811500116D122E120-D122 PolarHBondContact O-N 2.9Å
121E44.5Very low47.9Very low178 Ų178131 Ų13183%0.83270%0.704SS**G310 helixtrans-85.2-7.9-161.4-62.8-165.6160.900116.9G119G119-E121 PolarHBondContact O-N 2.84Å
122D44.5Very low48.1Very low97 Ų97125.1 Ų125.152%0.51969%0.686SS.*G310 helixtrans-111.79-175-115.1-15.2000116E120 S124 K125E120-D122 PolarHBondContact O-N 2.9Å; D122-S124 PolarHBondContact O-N 3.18Å; D122-K125 VanDerWaalsContact OD1-CD 3.3Å; D122-K125 WeakPolarHBondContact OD1-CD 3.43Å; D122-K125 WeakPolarHBondContact OD1-CE 3.37Å; D122-K125 WeakPolarHBondContact OD1-CG 3.35Å; D122-K125 IonicContact OD1-NZ 2.81Å; D122-K125 PolarHBondContact OD1-NZ 3.5Å
123I46.5Very low48.8Very low136 Ų136127.9 Ų127.970%0.69768%0.683SS**G310 helixtrans-62.4-32.1172.1-61177.5000110.7K125I123-K125 PolarHBondContact O-N 2.96Å
124S43.8Very low50.3Low117 Ų117125.5 Ų125.582%0.81867%0.672SS**G310 helixtrans-79.6-3-173.6-53.90000115.9D122D122-S124 PolarHBondContact O-N 3.18Å
125K48.4Very low51.9Low158 Ų158119 Ų11969%0.68765%0.651SS**G310 helixtrans-101.6-10.9179.9-63.7-163.7-165.488.90114.7D122 I123 K127D122-K125 VanDerWaalsContact OD1-CD 3.3Å; D122-K125 WeakPolarHBondContact OD1-CD 3.43Å; D122-K125 WeakPolarHBondContact OD1-CE 3.37Å; D122-K125 WeakPolarHBondContact OD1-CG 3.35Å; D122-K125 IonicContact OD1-NZ 2.81Å; D122-K125 PolarHBondContact OD1-NZ 3.5Å; I123-K125 PolarHBondContact O-N 2.96Å; K125-K127 VanDerWaalsContact C-N 3.33Å; K125-K127 PolarHBondContact O-N 3.36Å
126F45.8Very low53.7Low172 Ų172120.9 Ų120.975%0.75465%0.646SS**  trans-76.986.6167.2-76.7-85.9000109.7F128F126-F128 PolarHBondContact O-N 3.39Å
127K49.3Very low55.9Low209 Ų209120.3 Ų120.391%0.90964%0.635SS**  trans-57.297.5152.8-90.8-171174-177.10106.5K125 D129K125-K127 VanDerWaalsContact C-N 3.33Å; K125-K127 PolarHBondContact O-N 3.36Å; K127-D129 PolarHBondContact O-N 2.88Å
128F50.4Low57.7Low145 Ų145116.8 Ų116.864%0.63662%0.619SS**  trans-57.6113.2178.2-142.5-92.8000106.5F126 L130 K133F126-F128 PolarHBondContact O-N 3.39Å; F128-L130 HydrophobicContact CD1-CB 4.45Å; F128-L130 HydrophobicContact CD1-CD1 3.86Å; F128-L130 HydrophobicContact CE1-CD1 4.17Å; F128-L130 PolarHBondContact O-N 2.89Å; F128-K133 HydrophobicContact CE1-CD 4.27Å
129D54.5Low59.8Low108 Ų108113.9 Ų113.958%0.57861%0.607SS**  trans-74.670175.2-174.410.8000108.4K127 G131 S132 K133K127-D129 PolarHBondContact O-N 2.88Å; D129-G131 PolarHBondContact O-N 3.45Å; D129-S132 PolarHBondContact O-N 3.49Å; D129-S132 PolarHBondContact O-OG 3.39Å; D129-S132 PolarHBondContact OD1-N 3.36Å; D129-S132 WeakPolarHBondContact OD2-CB 3.46Å; D129-S132 PolarHBondContact OD2-OG 2.97Å; D129-K133 PolarHBondContact O-N 3.03Å
130L55.1Low62.3Low94 Ų94113.8 Ų113.849%0.49260%0.601SS.*Hα-helixtrans-66-27.6-176.8-163.169.5000109.4F128 K133 I134F128-L130 HydrophobicContact CD1-CB 4.45Å; F128-L130 HydrophobicContact CD1-CD1 3.86Å; F128-L130 HydrophobicContact CE1-CD1 4.17Å; F128-L130 PolarHBondContact O-N 2.89Å; L130-K133 PolarHBondContact O-N 2.82Å; L130-I134 HydrophobicContact CB-CD1 4.43Å; L130-I134 HydrophobicContact CD2-CD1 4.2Å; L130-I134 HydrophobicContact CG-CD1 3.83Å; L130-I134 HydrophobicContact CG-CG1 4.04Å; L130-I134 WeakPolarHBondContact O-CB 3.35Å; L130-I134 VanDerWaalsContact O-CD1 3.28Å; L130-I134 WeakPolarHBondContact O-CD1 3.4Å; L130-I134 WeakPolarHBondContact O-CG1 3.32Å; L130-I134 PolarHBondContact O-N 3.33Å
131G62.2Low64.5Low55 Ų55114.2 Ų114.257%0.56760%0.595SS**Hα-helixtrans-57.5-49.3174.400000112.7D129D129-G131 PolarHBondContact O-N 3.45Å
132S63.2Low66.9Low63 Ų63110.8 Ų110.844%0.44158%0.579SS.*Hα-helixtrans-66.5-4317756.90000112.4D129D129-S132 PolarHBondContact O-N 3.49Å; D129-S132 PolarHBondContact O-OG 3.39Å; D129-S132 PolarHBondContact OD1-N 3.36Å; D129-S132 WeakPolarHBondContact OD2-CB 3.46Å; D129-S132 PolarHBondContact OD2-OG 2.97Å
133K67.5Low69.2Low112 Ų112110.8 Ų110.849%0.48758%0.578SS.*Hα-helixtrans-79.8-12.9-178.8-65.4-173.9178.5-177.10115.4F128 D129 L130 A135 D136 L137F128-K133 HydrophobicContact CE1-CD 4.27Å; D129-K133 PolarHBondContact O-N 3.03Å; L130-K133 PolarHBondContact O-N 2.82Å; K133-A135 VanDerWaalsContact C-N 3.27Å; K133-A135 PolarHBondContact O-N 3.29Å; K133-D136 PolarHBondContact O-N 3.39Å; K133-L137 VanDerWaalsContact O-CB 3.31Å; K133-L137 WeakPolarHBondContact O-CB 3.16Å; K133-L137 PolarHBondContact O-N 2.97Å
134I75.9Confident71.5Confident73 Ų73106.8 Ų106.837%0.37457%0.565SS.*Hα-helixtrans-65.2-32.9175.8-88.4160.5000111L130 K138L130-I134 HydrophobicContact CB-CD1 4.43Å; L130-I134 HydrophobicContact CD2-CD1 4.2Å; L130-I134 HydrophobicContact CG-CD1 3.83Å; L130-I134 HydrophobicContact CG-CG1 4.04Å; L130-I134 WeakPolarHBondContact O-CB 3.35Å; L130-I134 VanDerWaalsContact O-CD1 3.28Å; L130-I134 WeakPolarHBondContact O-CD1 3.4Å; L130-I134 WeakPolarHBondContact O-CG1 3.32Å; L130-I134 PolarHBondContact O-N 3.33Å; I134-K138 HydrophobicContact CG2-CD 4.22Å; I134-K138 WeakPolarHBondContact O-CB 3.44Å; I134-K138 VanDerWaalsContact O-CG 3.29Å; I134-K138 WeakPolarHBondContact O-CG 3.31Å; I134-K138 PolarHBondContact O-N 2.98Å
135A78.3Confident74Confident59 Ų59104.7 Ų104.749%0.48855%0.551SS.*Hα-helixtrans-63.2-51.5173.500000110.5K133 L137 K138 A139K133-A135 VanDerWaalsContact C-N 3.27Å; K133-A135 PolarHBondContact O-N 3.29Å; A135-L137 VanDerWaalsContact C-N 3.31Å; A135-L137 PolarHBondContact O-N 3.38Å; A135-K138 PolarHBondContact O-N 2.91Å; A135-A139 PolarHBondContact O-N 2.91Å
136D83.2Confident76.2Confident108 Ų108101.3 Ų101.358%0.57854%0.537SS*.Hα-helixtrans-60.3-39.8177.5-56.2-26000112.1K133 A139 A140K133-D136 PolarHBondContact O-N 3.39Å; D136-A139 PolarHBondContact O-N 2.95Å; D136-A140 VanDerWaalsContact O-CB 3.32Å; D136-A140 WeakPolarHBondContact O-CB 3.36Å; D136-A140 PolarHBondContact O-N 3.37Å
137L85.6Confident78.6Confident86 Ų8699 Ų9945%0.4553%0.532SS..Hα-helixtrans-73.1-30.5-179.7-163.7145000112.4K133 A135 R141K133-L137 VanDerWaalsContact O-CB 3.31Å; K133-L137 WeakPolarHBondContact O-CB 3.16Å; K133-L137 PolarHBondContact O-N 2.97Å; A135-L137 VanDerWaalsContact C-N 3.31Å; A135-L137 PolarHBondContact O-N 3.38Å; L137-R141 WeakPolarHBondContact O-CG 3.41Å; L137-R141 PolarHBondContact O-N 3.3Å; L137-R141 VanDerWaalsContact O-N 3.16Å
138K85.8Confident80.9Confident141 Ų14193.8 Ų93.861%0.61352%0.517SS*.Hα-helixtrans-68.3-45.2167.3-77.3173.9178.4178.80111.2I134 A135 R141 Q142I134-K138 HydrophobicContact CG2-CD 4.22Å; I134-K138 WeakPolarHBondContact O-CB 3.44Å; I134-K138 VanDerWaalsContact O-CG 3.29Å; I134-K138 WeakPolarHBondContact O-CG 3.31Å; I134-K138 PolarHBondContact O-N 2.98Å; A135-K138 PolarHBondContact O-N 2.91Å; K138-R141 PolarHBondContact O-N 3.47Å; K138-Q142 WeakPolarHBondContact O-CB 3.25Å; K138-Q142 PolarHBondContact O-N 3.17Å
139A88Confident83Confident50 Ų5089.8 Ų89.841%0.41351%0.511SS..Hα-helixtrans-60.9-44176.600000111.5A135 D136 R141 Q142 L143A135-A139 PolarHBondContact O-N 2.91Å; D136-A139 PolarHBondContact O-N 2.95Å; A139-R141 PolarHBondContact O-N 2.98Å; A139-Q142 PolarHBondContact O-N 3.42Å; A139-L143 WeakPolarHBondContact O-CB 3.34Å; A139-L143 VanDerWaalsContact O-CG 3.31Å; A139-L143 WeakPolarHBondContact O-CG 3.29Å; A139-L143 PolarHBondContact O-N 3.49Å
140A91.3Very high85Confident58 Ų5892.1 Ų92.148%0.47952%0.516SS..Hα-helixtrans-61.9-40.4176.100000112.7D136 A144D136-A140 VanDerWaalsContact O-CB 3.32Å; D136-A140 WeakPolarHBondContact O-CB 3.36Å; D136-A140 PolarHBondContact O-N 3.37Å; A140-A144 WeakPolarHBondContact O-CB 3.24Å; A140-A144 PolarHBondContact O-N 3.44Å
141R91.5Very high87Confident180 Ų18089.5 Ų89.568%0.67951%0.512SS*.Hα-helixtrans-67-40173.6-76.1178-179.71691.2112.5L137 K138 A139 A144 S145L137-R141 WeakPolarHBondContact O-CG 3.41Å; L137-R141 PolarHBondContact O-N 3.3Å; L137-R141 VanDerWaalsContact O-N 3.16Å; K138-R141 PolarHBondContact O-N 3.47Å; A139-R141 PolarHBondContact O-N 2.98Å; R141-A144 PolarHBondContact O-N 3.19Å; R141-S145 WeakPolarHBondContact O-CB 3.42Å; R141-S145 PolarHBondContact O-N 3.32Å
142Q93.2Very high88.6Confident105 Ų10589.3 Ų89.349%0.49151%0.505SS..Hα-helixtrans-62.9-48.2175.9-179.759.430.100110.7K138 A139 A144 S145 E146K138-Q142 WeakPolarHBondContact O-CB 3.25Å; K138-Q142 PolarHBondContact O-N 3.17Å; A139-Q142 PolarHBondContact O-N 3.42Å; Q142-A144 PolarHBondContact O-N 3.45Å; Q142-S145 WeakPolarHBondContact O-CB 3.49Å; Q142-S145 PolarHBondContact O-N 3.47Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.44Å; Q142-E146 PolarHBondContact NE2-OE1 2.68Å; Q142-E146 WeakPolarHBondContact O-CG 3.39Å; Q142-E146 PolarHBondContact O-N 3.49Å
143L93.7Very high90.1Very high98 Ų9889 Ų8951%0.51350%0.502SS..Hα-helixtrans-61.2-40175-71.1169.3000112.4A139 S145 E146 I147A139-L143 WeakPolarHBondContact O-CB 3.34Å; A139-L143 VanDerWaalsContact O-CG 3.31Å; A139-L143 WeakPolarHBondContact O-CG 3.29Å; A139-L143 PolarHBondContact O-N 3.49Å; L143-S145 VanDerWaalsContact C-N 3.34Å; L143-S145 PolarHBondContact O-N 3Å; L143-E146 PolarHBondContact O-N 2.85Å; L143-I147 WeakPolarHBondContact O-CB 3.31Å; L143-I147 VanDerWaalsContact O-CG1 3.22Å; L143-I147 WeakPolarHBondContact O-CG1 3.28Å; L143-I147 PolarHBondContact O-N 2.77Å
144A95.4Very high91.4Very high51 Ų5188.4 Ų88.442%0.42150%0.504SS..Hα-helixtrans-64.4-38.2174.900000112.4A140 R141 Q142 T148A140-A144 WeakPolarHBondContact O-CB 3.24Å; A140-A144 PolarHBondContact O-N 3.44Å; R141-A144 PolarHBondContact O-N 3.19Å; Q142-A144 PolarHBondContact O-N 3.45Å; A144-T148 PolarHBondContact O-N 2.95Å; A144-T148 PolarHBondContact O-OG1 3.44Å
145S95.3Very high92.4Very high73 Ų7393.4 Ų93.451%0.5152%0.52SS..Hα-helixtrans-65-43.2172.6-167.50000111.4R141 Q142 L143 T148 A149R141-S145 WeakPolarHBondContact O-CB 3.42Å; R141-S145 PolarHBondContact O-N 3.32Å; Q142-S145 WeakPolarHBondContact O-CB 3.49Å; Q142-S145 PolarHBondContact O-N 3.47Å; L143-S145 VanDerWaalsContact C-N 3.34Å; L143-S145 PolarHBondContact O-N 3Å; S145-T148 PolarHBondContact O-N 3.09Å; S145-A149 WeakPolarHBondContact O-CB 3.31Å; S145-A149 PolarHBondContact O-N 2.78Å
146E95.8Very high93.1Very high87 Ų8795.1 Ų95.141%0.40752%0.521SS..Hα-helixtrans-65.3-41.6176.1-75.3171.6-157.400112.5Q142 L143 T148 A149 K150Q142-E146 WeakPolarHBondContact CG-OE1 3.44Å; Q142-E146 PolarHBondContact NE2-OE1 2.68Å; Q142-E146 WeakPolarHBondContact O-CG 3.39Å; Q142-E146 PolarHBondContact O-N 3.49Å; L143-E146 PolarHBondContact O-N 2.85Å; E146-T148 VanDerWaalsContact C-N 3.29Å; E146-T148 PolarHBondContact O-N 2.78Å; E146-A149 PolarHBondContact O-N 3.14Å; E146-K150 VanDerWaalsContact O-CB 3.23Å; E146-K150 WeakPolarHBondContact O-CB 3.43Å; E146-K150 WeakPolarHBondContact O-CG 3.44Å; E146-K150 PolarHBondContact O-N 2.9Å
147I96.3Very high93.5Very high124 Ų12494.5 Ų94.564%0.63652%0.517SS*.Hα-helixtrans-59.2-43.1173-72.4163.6000110.2L143 G151L143-I147 WeakPolarHBondContact O-CB 3.31Å; L143-I147 VanDerWaalsContact O-CG1 3.22Å; L143-I147 WeakPolarHBondContact O-CG1 3.28Å; L143-I147 PolarHBondContact O-N 2.77Å; I147-G151 PolarHBondContact O-N 3.38Å
148T95.9Very high93.9Very high100 Ų10095.6 Ų95.661%0.61352%0.523SS*.Hα-helixtrans-65.9-46.2178.1-52.40000111.3A144 S145 E146 G151 A152A144-T148 PolarHBondContact O-N 2.95Å; A144-T148 PolarHBondContact O-OG1 3.44Å; S145-T148 PolarHBondContact O-N 3.09Å; E146-T148 VanDerWaalsContact C-N 3.29Å; E146-T148 PolarHBondContact O-N 2.78Å; T148-G151 PolarHBondContact O-N 3.23Å; T148-A152 PolarHBondContact O-N 2.74Å
149A96.4Very high94.2Very high61 Ų6191.8 Ų91.850%0.50452%0.524SS..Hα-helixtrans-66.9-39.6178.800000112.9S145 E146 S153S145-A149 WeakPolarHBondContact O-CB 3.31Å; S145-A149 PolarHBondContact O-N 2.78Å; E146-A149 PolarHBondContact O-N 3.14Å; A149-S153 WeakPolarHBondContact O-CB 3.43Å; A149-S153 PolarHBondContact O-N 2.92Å
150K96.2Very high94.5Very high156 Ų15694.9 Ų94.968%0.67853%0.528SS*.Hα-helixtrans-69.6-35.1173.4-69-66.1-176.8-176.70111.7E146 L154E146-K150 VanDerWaalsContact O-CB 3.23Å; E146-K150 WeakPolarHBondContact O-CB 3.43Å; E146-K150 WeakPolarHBondContact O-CG 3.44Å; E146-K150 PolarHBondContact O-N 2.9Å; K150-L154 WeakPolarHBondContact O-CB 3.39Å; K150-L154 PolarHBondContact O-N 3.1Å
151G96.6Very high94.5Very high39 Ų3995 Ų9540%0.40252%0.519SS..Hα-helixtrans-63.1-46.2172.800000112.3I147 T148 L154 Y155I147-G151 PolarHBondContact O-N 3.38Å; T148-G151 PolarHBondContact O-N 3.23Å; G151-L154 PolarHBondContact O-N 3.49Å; G151-Y155 WeakPolarHBondContact O-CB 3.49Å; G151-Y155 PolarHBondContact O-N 3.32Å
152A95.7Very high94.3Very high52 Ų5292 Ų9243%0.4352%0.52SS..Hα-helixtrans-62-50.1173.500000111.7T148 L154 Y155 D156T148-A152 PolarHBondContact O-N 2.74Å; A152-L154 VanDerWaalsContact C-N 3.27Å; A152-L154 PolarHBondContact O-N 2.96Å; A152-Y155 WeakPolarHBondContact O-CB 3.38Å; A152-Y155 PolarHBondContact O-N 3.23Å; A152-Y155 VanDerWaalsContact O-N 3.12Å; A152-D156 PolarHBondContact O-N 3.05Å
153S95.4Very high94.1Very high55 Ų5593.1 Ų93.139%0.38553%0.525SS..Hα-helixtrans-59.4-36.3176.4176.20000112.9A149 L157A149-S153 WeakPolarHBondContact O-CB 3.43Å; A149-S153 PolarHBondContact O-N 2.92Å; S153-L157 WeakPolarHBondContact O-CB 3.36Å; S153-L157 WeakPolarHBondContact O-CD1 2.96Å; S153-L157 WeakPolarHBondContact O-CG 3.38Å; S153-L157 PolarHBondContact O-N 3.31Å
154L95.1Very high94Very high101 Ų10191.5 Ų91.553%0.52952%0.516SS..Hα-helixtrans-69.9-41.5175.7178.962.3000111.3K150 G151 A152 L157 L158K150-L154 WeakPolarHBondContact O-CB 3.39Å; K150-L154 PolarHBondContact O-N 3.1Å; G151-L154 PolarHBondContact O-N 3.49Å; A152-L154 VanDerWaalsContact C-N 3.27Å; A152-L154 PolarHBondContact O-N 2.96Å; L154-L157 PolarHBondContact O-N 3.09Å; L154-L158 HydrophobicContact CD1-CD1 3.96Å; L154-L158 HydrophobicContact CD1-CG 3.99Å; L154-L158 HydrophobicContact CG-CD1 3.85Å; L154-L158 HydrophobicContact CG-CG 4.3Å; L154-L158 VanDerWaalsContact O-CB 3.31Å; L154-L158 WeakPolarHBondContact O-CB 3.41Å; L154-L158 VanDerWaalsContact O-CG 3.22Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 2.92Å
155Y94.9Very high93.7Very high178 Ų17896.7 Ų96.770%0.69853%0.525SS*.Hα-helixtrans-58.7-47.9173.8176.4-90.9000111.3G151 A152 L157 L158 G159G151-Y155 WeakPolarHBondContact O-CB 3.49Å; G151-Y155 PolarHBondContact O-N 3.32Å; A152-Y155 WeakPolarHBondContact O-CB 3.38Å; A152-Y155 PolarHBondContact O-N 3.23Å; A152-Y155 VanDerWaalsContact O-N 3.12Å; Y155-L157 PolarHBondContact O-N 2.94Å; Y155-L158 PolarHBondContact O-N 3.1Å; Y155-G159 PolarHBondContact O-N 3.25Å
156D93.9Very high93.4Very high94 Ų94100.1 Ų100.150%0.50353%0.533SS..Hα-helixtrans-64.3-38.4178.8-65.4-25.5000112.5A152 K160A152-D156 PolarHBondContact O-N 3.05Å; D156-K160 WeakPolarHBondContact O-CG 3.2Å; D156-K160 PolarHBondContact O-N 3.45Å
157L91.9Very high93.1Very high95 Ų95101.1 Ų101.150%0.49754%0.539SS..Hα-helixtrans-70.3-40.2176.2-74169000112.2S153 L154 Y155 K160 E161S153-L157 WeakPolarHBondContact O-CB 3.36Å; S153-L157 WeakPolarHBondContact O-CD1 2.96Å; S153-L157 WeakPolarHBondContact O-CG 3.38Å; S153-L157 PolarHBondContact O-N 3.31Å; L154-L157 PolarHBondContact O-N 3.09Å; Y155-L157 PolarHBondContact O-N 2.94Å; L157-K160 PolarHBondContact O-N 3.23Å; L157-E161 PolarHBondContact O-N 3.38Å
158L92.9Very high92.9Very high109 Ų109100.6 Ų100.657%0.57153%0.529SS*.Hα-helixtrans-68.5-34.3175-72.2173000111.9L154 Y155 K160 E161L154-L158 HydrophobicContact CD1-CD1 3.96Å; L154-L158 HydrophobicContact CD1-CG 3.99Å; L154-L158 HydrophobicContact CG-CD1 3.85Å; L154-L158 HydrophobicContact CG-CG 4.3Å; L154-L158 VanDerWaalsContact O-CB 3.31Å; L154-L158 WeakPolarHBondContact O-CB 3.41Å; L154-L158 VanDerWaalsContact O-CG 3.22Å; L154-L158 WeakPolarHBondContact O-CG 3.49Å; L154-L158 PolarHBondContact O-N 2.92Å; Y155-L158 PolarHBondContact O-N 3.1Å; L158-K160 PolarHBondContact O-N 3.2Å; L158-E161 VanDerWaalsContact O-CB 3.27Å; L158-E161 WeakPolarHBondContact O-CB 3.15Å; L158-E161 PolarHBondContact O-N 3.23Å; L158-E161 VanDerWaalsContact O-N 3.11Å
159G92.3Very high92.5Very high62 Ų6299.9 Ų99.964%0.63953%0.525SS*.Hα-helixtrans-59.9-32.4171.700000112.8Y155Y155-G159 PolarHBondContact O-N 3.25Å
160K93.9Very high92.1Very high115 Ų115103.7 Ų103.750%0.553%0.532SS..THydrogen-bonded Turntrans-87.2-3.9176-65.9174.6-176.8-178.50114.2D156 L157 L158 V162 E163 L164D156-K160 WeakPolarHBondContact O-CG 3.2Å; D156-K160 PolarHBondContact O-N 3.45Å; L157-K160 PolarHBondContact O-N 3.23Å; L158-K160 PolarHBondContact O-N 3.2Å; K160-V162 PolarHBondContact O-N 2.92Å; K160-V162 VanDerWaalsContact O-N 3.14Å; K160-E163 PolarHBondContact O-N 3.37Å; K160-L164 HydrophobicContact CB-CD1 3.73Å; K160-L164 HydrophobicContact CB-CG 4.06Å; K160-L164 WeakPolarHBondContact O-CB 3.32Å; K160-L164 VanDerWaalsContact O-CG 3.28Å; K160-L164 WeakPolarHBondContact O-CG 3.5Å; K160-L164 PolarHBondContact O-N 3.35Å
161E91.5Very high91.6Very high61 Ų6199.5 Ų99.529%0.28553%0.526SS..Hα-helixtrans-59.9-29-173.9169.555.8-158.400112.7L157 L158 R165 R168L157-E161 PolarHBondContact O-N 3.38Å; L158-E161 VanDerWaalsContact O-CB 3.27Å; L158-E161 WeakPolarHBondContact O-CB 3.15Å; L158-E161 PolarHBondContact O-N 3.23Å; L158-E161 VanDerWaalsContact O-N 3.11Å; E161-R165 WeakPolarHBondContact O-CA 3.3Å; E161-R165 WeakPolarHBondContact O-CB 3.47Å; E161-R165 PolarHBondContact O-N 3.49Å; E161-R168 IonicContact OE1-CZ 3.62Å; E161-R168 IonicContact OE1-NH2 3.61Å; E161-R168 PolarHBondContact OE1-NH2 3.24Å; E161-R168 IonicContact OE2-CZ 2.74Å; E161-R168 IonicContact OE2-NH1 3.27Å; E161-R168 IonicContact OE2-NH2 2.72Å; E161-R168 PolarHBondContact OE2-NH2 3.41Å
162V88.4Confident91Very high116 Ų116104.1 Ų104.170%0.70354%0.541SS*.Hα-helixtrans-64.1-51.7176.3-177.40000111.1K160 R165 E166K160-V162 PolarHBondContact O-N 2.92Å; K160-V162 VanDerWaalsContact O-N 3.14Å; V162-R165 PolarHBondContact O-N 3.5Å; V162-E166 PolarHBondContact O-N 3.01Å
163E89.4Confident90.6Very high129 Ų129105.3 Ų105.360%0.60355%0.551SS**Hα-helixtrans-65.7-46.2177.3-60.2172.2176.600111.2K160 R165 E166 M167K160-E163 PolarHBondContact O-N 3.37Å; E163-R165 VanDerWaalsContact C-N 3.27Å; E163-R165 PolarHBondContact O-N 2.95Å; E163-E166 PolarHBondContact O-N 3.25Å; E163-M167 PolarHBondContact O-N 2.93Å
164L90.1Very high89.9Confident63 Ų63110 Ų11033%0.3356%0.56SS.*Hα-helixtrans-63.8-31.8179-69.5171.2000112.1K160 M167 R168K160-L164 HydrophobicContact CB-CD1 3.73Å; K160-L164 HydrophobicContact CB-CG 4.06Å; K160-L164 WeakPolarHBondContact O-CB 3.32Å; K160-L164 VanDerWaalsContact O-CG 3.28Å; K160-L164 WeakPolarHBondContact O-CG 3.5Å; K160-L164 PolarHBondContact O-N 3.35Å; L164-M167 HydrophobicContact CD2-CE 3.88Å; L164-R168 WeakPolarHBondContact O-CB 3.48Å; L164-R168 PolarHBondContact O-N 3.11Å
165R90.4Very high89.2Confident160 Ų160110.3 Ų110.360%0.60457%0.568SS**Hα-helixtrans-70.2-40.1175.9178.8176-177.8140.7-0.7111.9E161 V162 E163 T169E161-R165 WeakPolarHBondContact O-CA 3.3Å; E161-R165 WeakPolarHBondContact O-CB 3.47Å; E161-R165 PolarHBondContact O-N 3.49Å; V162-R165 PolarHBondContact O-N 3.5Å; E163-R165 VanDerWaalsContact C-N 3.27Å; E163-R165 PolarHBondContact O-N 2.95Å; R165-T169 WeakPolarHBondContact O-CB 3.33Å; R165-T169 PolarHBondContact O-N 2.89Å; R165-T169 PolarHBondContact O-OG1 3.37Å
166E89.2Confident88.3Confident145 Ų145108.8 Ų108.868%0.67857%0.571SS**Hα-helixtrans-63.8-55.3174.6-172.5164.8-160.100110.1V162 E163 R168 T169 E170V162-E166 PolarHBondContact O-N 3.01Å; E163-E166 PolarHBondContact O-N 3.25Å; E166-R168 VanDerWaalsContact C-N 3.31Å; E166-R168 PolarHBondContact O-N 3.14Å; E166-T169 PolarHBondContact O-N 2.96Å; E166-E170 PolarHBondContact O-N 2.96Å
167M89Confident87.7Confident108 Ų108109 Ų10953%0.53257%0.569SS.*Hα-helixtrans-58.2-38.6177.3-68.8-162.5-61.400113.3E163 L164 A171E163-M167 PolarHBondContact O-N 2.93Å; L164-M167 HydrophobicContact CD2-CE 3.88Å; M167-A171 WeakPolarHBondContact O-CB 3.43Å; M167-A171 PolarHBondContact O-N 2.89Å
168R90.9Very high87.4Confident114 Ų114110.1 Ų110.143%0.4357%0.574SS.*Hα-helixtrans-67-37.7175173.817251.6-144.9-12.6112E161 L164 E166 I172E161-R168 IonicContact OE1-CZ 3.62Å; E161-R168 IonicContact OE1-NH2 3.61Å; E161-R168 PolarHBondContact OE1-NH2 3.24Å; E161-R168 IonicContact OE2-CZ 2.74Å; E161-R168 IonicContact OE2-NH1 3.27Å; E161-R168 IonicContact OE2-NH2 2.72Å; E161-R168 PolarHBondContact OE2-NH2 3.41Å; L164-R168 WeakPolarHBondContact O-CB 3.48Å; L164-R168 PolarHBondContact O-N 3.11Å; E166-R168 VanDerWaalsContact C-N 3.31Å; E166-R168 PolarHBondContact O-N 3.14Å; R168-I172 HydrophobicContact CG-CD1 3.74Å; R168-I172 WeakPolarHBondContact O-CB 3.5Å; R168-I172 WeakPolarHBondContact O-CD1 3.32Å; R168-I172 WeakPolarHBondContact O-CG1 3.49Å; R168-I172 PolarHBondContact O-N 3.2Å
169T89.2Confident87.2Confident84 Ų84111.2 Ų111.252%0.51558%0.581SS.*Hα-helixtrans-69.3-41.5177.2-54.10000110.3R165 E166 I172 A173R165-T169 WeakPolarHBondContact O-CB 3.33Å; R165-T169 PolarHBondContact O-N 2.89Å; R165-T169 PolarHBondContact O-OG1 3.37Å; E166-T169 PolarHBondContact O-N 2.96Å; T169-I172 PolarHBondContact O-N 3.35Å; T169-A173 VanDerWaalsContact O-CB 3.25Å; T169-A173 WeakPolarHBondContact O-CB 3.31Å; T169-A173 PolarHBondContact O-N 3.48Å
170E87.8Confident87Confident141 Ų141112.1 Ų112.166%0.65957%0.568SS**Hα-helixtrans-61.5-47.3172.6-173.9-179-169.200111.8E166 I172 A173 R174E166-E170 PolarHBondContact O-N 2.96Å; E170-I172 VanDerWaalsContact C-N 3.35Å; E170-I172 PolarHBondContact O-N 2.72Å; E170-A173 CarbonylContact O-C 3.56Å; E170-A173 PolarHBondContact O-N 2.96Å; E170-A173 VanDerWaalsContact O-N 3.16Å; E170-R174 PolarHBondContact O-N 3.48Å
171A84.9Confident86.8Confident68 Ų68110.2 Ų110.256%0.56257%0.566SS**Hα-helixtrans-65.4-33.3178.600000113.5M167M167-A171 WeakPolarHBondContact O-CB 3.43Å; M167-A171 PolarHBondContact O-N 2.89Å
172I85.1Confident86.9Confident137 Ų137110.9 Ų110.970%0.70357%0.569SS**Hα-helixtrans-74.4-33.2173-70.6166.8000111.2R168 T169 E170 R174R168-I172 HydrophobicContact CG-CD1 3.74Å; R168-I172 WeakPolarHBondContact O-CB 3.5Å; R168-I172 WeakPolarHBondContact O-CD1 3.32Å; R168-I172 WeakPolarHBondContact O-CG1 3.49Å; R168-I172 PolarHBondContact O-N 3.2Å; T169-I172 PolarHBondContact O-N 3.35Å; E170-I172 VanDerWaalsContact C-N 3.35Å; E170-I172 PolarHBondContact O-N 2.72Å; I172-R174 VanDerWaalsContact C-N 3.35Å
173A85.3Confident87.2Confident77 Ų77110.4 Ų110.464%0.63656%0.558SS**Hα-helixtrans-75.7-22.3176.100000113T169 E170 P175T169-A173 VanDerWaalsContact O-CB 3.25Å; T169-A173 WeakPolarHBondContact O-CB 3.31Å; T169-A173 PolarHBondContact O-N 3.48Å; E170-A173 CarbonylContact O-C 3.56Å; E170-A173 PolarHBondContact O-N 2.96Å; E170-A173 VanDerWaalsContact O-N 3.16Å; A173-P175 WeakPolarHBondContact O-CD 3.27Å
174R82.6Confident87.4Confident153 Ų153108.2 Ų108.258%0.57755%0.553SS**SBendtrans-62.3123174.4-171.6174.7-178.3168.6-3.8109.7E170 I172 L176 E177E170-R174 PolarHBondContact O-N 3.48Å; I172-R174 VanDerWaalsContact C-N 3.35Å; R174-L176 PolarHBondContact O-N 2.69Å; R174-E177 IonicContact CZ-OE1 2.92Å; R174-E177 IonicContact NE-OE1 2.78Å; R174-E177 PolarHBondContact NE-OE1 3.38Å; R174-E177 VanDerWaalsContact NH2-CD 3.25Å; R174-E177 IonicContact NH2-OE1 3.17Å; R174-E177 PolarHBondContact NH2-OE1 2.87Å; R174-E177 IonicContact NH2-OE2 2.73Å; R174-E177 PolarHBondContact NH2-OE2 3.23Å
175P79.3Confident87.7Confident108 Ų108110.6 Ų110.670%0.70156%0.564SS**PPolyproline II helixtrans-56.6139.5172.9-24.434.7000111A173 E177A173-P175 WeakPolarHBondContact O-CD 3.27Å; P175-E177 PolarHBondContact O-N 2.86Å; P175-E177 VanDerWaalsContact O-N 3.11Å
176L75.6Confident88Confident146 Ų146110.7 Ų110.776%0.76456%0.564SS**PPolyproline II helixtrans-56.2116.6177.2-100.5149000110.6R174 I178R174-L176 PolarHBondContact O-N 2.69Å; L176-I178 PolarHBondContact O-N 3.28Å
177E82.9Confident88.3Confident97 Ų97107.9 Ų107.945%0.45355%0.553SS.*  trans-77.480.9173.9-74.4175.7-164.300109.2R174 P175 N179 E180 T181R174-E177 IonicContact CZ-OE1 2.92Å; R174-E177 IonicContact NE-OE1 2.78Å; R174-E177 PolarHBondContact NE-OE1 3.38Å; R174-E177 VanDerWaalsContact NH2-CD 3.25Å; R174-E177 IonicContact NH2-OE1 3.17Å; R174-E177 PolarHBondContact NH2-OE1 2.87Å; R174-E177 IonicContact NH2-OE2 2.73Å; R174-E177 PolarHBondContact NH2-OE2 3.23Å; P175-E177 PolarHBondContact O-N 2.86Å; P175-E177 VanDerWaalsContact O-N 3.11Å; E177-N179 PolarHBondContact O-N 3.36Å; E177-E180 HydrophobicContact CB-CB 4.34Å; E177-E180 PolarHBondContact O-N 2.85Å; E177-E180 VanDerWaalsContact O-N 3.14Å; E177-T181 PolarHBondContact O-N 3.37Å; E177-T181 PolarHBondContact O-OG1 3.47Å
178I84.9Confident88.7Confident119 Ų119104.9 Ų104.961%0.6155%0.545SS*.Hα-helixtrans-51.5-42.4-177.8-64.5167.9000110.6L176 T181 E182L176-I178 PolarHBondContact O-N 3.28Å; I178-T181 PolarHBondContact O-N 2.94Å; I178-E182 VanDerWaalsContact O-CB 3.29Å; I178-E182 WeakPolarHBondContact O-CB 3.35Å; I178-E182 PolarHBondContact O-N 3.45Å
179N89.3Confident89.1Confident133 Ų133103.7 Ų103.771%0.71155%0.547SS*.Hα-helixtrans-63.8-42.1-179.1-63.7-12.9000113.2E177 K183E177-N179 PolarHBondContact O-N 3.36Å; N179-K183 WeakPolarHBondContact O-CB 3.41Å; N179-K183 PolarHBondContact O-N 3.01Å
180E88.2Confident89.5Confident81 Ų81107.1 Ų107.138%0.37955%0.554SS.*Hα-helixtrans-75-36.6178.1-170.459.5-152.600110.6E177 E182 K183 V184E177-E180 HydrophobicContact CB-CB 4.34Å; E177-E180 PolarHBondContact O-N 2.85Å; E177-E180 VanDerWaalsContact O-N 3.14Å; E180-E182 VanDerWaalsContact C-N 3.33Å; E180-E182 PolarHBondContact O-N 3.34Å; E180-K183 PolarHBondContact O-N 2.92Å; E180-K183 IonicContact OE1-NZ 2.77Å; E180-K183 PolarHBondContact OE1-NZ 3.36Å; E180-K183 IonicContact OE2-NZ 2.68Å; E180-K183 PolarHBondContact OE2-NZ 3.42Å; E180-V184 WeakPolarHBondContact O-CG2 3.41Å; E180-V184 PolarHBondContact O-N 3.47Å
181T88.6Confident90Very high74 Ų74105 Ų10545%0.45455%0.547SS..Hα-helixtrans-59.6-44.4172.6-50.40000111.1E177 I178 M185E177-T181 PolarHBondContact O-N 3.37Å; E177-T181 PolarHBondContact O-OG1 3.47Å; I178-T181 PolarHBondContact O-N 2.94Å; T181-M185 VanDerWaalsContact O-CB 3.31Å; T181-M185 WeakPolarHBondContact O-CB 3.29Å; T181-M185 PolarHBondContact O-N 3.3Å
182E93.3Very high90.6Very high75 Ų75107 Ų10735%0.3555%0.548SS..Hα-helixtrans-64-43175.4-170.2-170.2147.700111.5I178 E180 M185 R186I178-E182 VanDerWaalsContact O-CB 3.29Å; I178-E182 WeakPolarHBondContact O-CB 3.35Å; I178-E182 PolarHBondContact O-N 3.45Å; E180-E182 VanDerWaalsContact C-N 3.33Å; E180-E182 PolarHBondContact O-N 3.34Å; E182-M185 PolarHBondContact O-N 2.6Å; E182-R186 WeakPolarHBondContact O-CB 3.33Å; E182-R186 VanDerWaalsContact O-CG 3.28Å; E182-R186 WeakPolarHBondContact O-CG 3.46Å; E182-R186 PolarHBondContact O-N 2.96Å; E182-R186 IonicContact OE1-CZ 2.78Å; E182-R186 IonicContact OE1-NE 3.15Å; E182-R186 PolarHBondContact OE1-NE 3.46Å; E182-R186 IonicContact OE1-NH2 2.85Å; E182-R186 PolarHBondContact OE1-NH2 2.88Å
183K95.3Very high91.2Very high106 Ų106105.8 Ų105.846%0.46154%0.542SS..Hα-helixtrans-61.5-47.6176.9174168.4152.3-106.50112.1N179 E180 M185 R186 I187N179-K183 WeakPolarHBondContact O-CB 3.41Å; N179-K183 PolarHBondContact O-N 3.01Å; E180-K183 PolarHBondContact O-N 2.92Å; E180-K183 IonicContact OE1-NZ 2.77Å; E180-K183 PolarHBondContact OE1-NZ 3.36Å; E180-K183 IonicContact OE2-NZ 2.68Å; E180-K183 PolarHBondContact OE2-NZ 3.42Å; K183-M185 VanDerWaalsContact C-N 3.33Å; K183-M185 PolarHBondContact O-N 3.38Å; K183-R186 PolarHBondContact O-N 3.14Å; K183-I187 HydrophobicContact CG-CD1 4.26Å; K183-I187 WeakPolarHBondContact O-CG1 3.16Å; K183-I187 PolarHBondContact O-N 3.16Å
184V94.4Very high91.8Very high83 Ų83105 Ų10550%0.50354%0.536SS..Hα-helixtrans-61-42.7174.6172.20000110.8E180 R186 I187 A188E180-V184 WeakPolarHBondContact O-CG2 3.41Å; E180-V184 PolarHBondContact O-N 3.47Å; V184-R186 PolarHBondContact O-N 3.12Å; V184-I187 PolarHBondContact O-N 3.11Å; V184-A188 PolarHBondContact O-N 3.23Å
185M95.1Very high92.5Very high114 Ų114103.1 Ų103.156%0.56253%0.534SS*.Hα-helixtrans-65.1-38177.3-171.4164.462.100112.5T181 E182 K183 A188 I189T181-M185 VanDerWaalsContact O-CB 3.31Å; T181-M185 WeakPolarHBondContact O-CB 3.29Å; T181-M185 PolarHBondContact O-N 3.3Å; E182-M185 PolarHBondContact O-N 2.6Å; K183-M185 VanDerWaalsContact C-N 3.33Å; K183-M185 PolarHBondContact O-N 3.38Å; M185-A188 PolarHBondContact O-N 2.96Å; M185-I189 HydrophobicContact CG-CD1 4.15Å; M185-I189 WeakPolarHBondContact O-CD1 3.4Å; M185-I189 VanDerWaalsContact O-CG1 3.24Å; M185-I189 WeakPolarHBondContact O-CG1 3.49Å; M185-I189 PolarHBondContact O-N 3.45Å
186R96.7Very high93.4Very high161 Ų161102.2 Ų102.261%0.60853%0.526SS*.Hα-helixtrans-64.8-38.2173.8-75.1173-179.8-78.31.7112.4E182 K183 V184 K190E182-R186 WeakPolarHBondContact O-CB 3.33Å; E182-R186 VanDerWaalsContact O-CG 3.28Å; E182-R186 WeakPolarHBondContact O-CG 3.46Å; E182-R186 PolarHBondContact O-N 2.96Å; E182-R186 IonicContact OE1-CZ 2.78Å; E182-R186 IonicContact OE1-NE 3.15Å; E182-R186 PolarHBondContact OE1-NE 3.46Å; E182-R186 IonicContact OE1-NH2 2.85Å; E182-R186 PolarHBondContact OE1-NH2 2.88Å; K183-R186 PolarHBondContact O-N 3.14Å; V184-R186 PolarHBondContact O-N 3.12Å; R186-K190 PolarHBondContact O-N 3.48Å; R186-K190 VanDerWaalsContact O-N 3.09Å
187I96.9Very high94.5Very high86 Ų8699.6 Ų99.644%0.44151%0.51SS..Hα-helixtrans-64.3-51.4173.5-66.9163.2000109.7K183 V184 I189 K190 D191K183-I187 HydrophobicContact CG-CD1 4.26Å; K183-I187 WeakPolarHBondContact O-CG1 3.16Å; K183-I187 PolarHBondContact O-N 3.16Å; V184-I187 PolarHBondContact O-N 3.11Å; I187-I189 VanDerWaalsContact C-N 3.3Å; I187-I189 PolarHBondContact O-N 2.89Å; I187-K190 WeakPolarHBondContact O-CA 3.41Å; I187-K190 WeakPolarHBondContact O-CB 3.37Å; I187-K190 PolarHBondContact O-N 2.87Å; I187-D191 PolarHBondContact O-N 3.19Å
188A97.4Very high95.2Very high45 Ų45102 Ų10237%0.37252%0.519SS..Hα-helixtrans-57.8-39.3178.600000113.1V184 M185 D191 I192V184-A188 PolarHBondContact O-N 3.23Å; M185-A188 PolarHBondContact O-N 2.96Å; A188-D191 PolarHBondContact O-N 3.43Å; A188-I192 WeakPolarHBondContact O-CB 3.25Å; A188-I192 WeakPolarHBondContact O-CD1 3.49Å; A188-I192 VanDerWaalsContact O-CG1 3.25Å; A188-I192 WeakPolarHBondContact O-CG1 3.44Å; A188-I192 PolarHBondContact O-N 3.03Å
189I97.5Very high95.8Very high90 Ų90100 Ų10046%0.46251%0.512SS..Hα-helixtrans-62.1-44.6173-71.2163.4000110.9M185 I187 I192 L193M185-I189 HydrophobicContact CG-CD1 4.15Å; M185-I189 WeakPolarHBondContact O-CD1 3.4Å; M185-I189 VanDerWaalsContact O-CG1 3.24Å; M185-I189 WeakPolarHBondContact O-CG1 3.49Å; M185-I189 PolarHBondContact O-N 3.45Å; I187-I189 VanDerWaalsContact C-N 3.3Å; I187-I189 PolarHBondContact O-N 2.89Å; I189-I192 PolarHBondContact O-N 3.41Å; I189-L193 HydrophobicContact CG2-CD1 3.92Å; I189-L193 HydrophobicContact CG2-CG 4.45Å; I189-L193 WeakPolarHBondContact O-CB 3.34Å; I189-L193 VanDerWaalsContact O-CG 3.27Å; I189-L193 WeakPolarHBondContact O-CG 3.44Å; I189-L193 PolarHBondContact O-N 3.45Å
190K98.1Very high96.2Very high155 Ų15599.3 Ų99.367%0.67450%0.503SS*.Hα-helixtrans-62.4-43.1178.5-172.4-172.9176.5-169.90111.7R186 I187 L193 A194R186-K190 PolarHBondContact O-N 3.48Å; R186-K190 VanDerWaalsContact O-N 3.09Å; I187-K190 WeakPolarHBondContact O-CA 3.41Å; I187-K190 WeakPolarHBondContact O-CB 3.37Å; I187-K190 PolarHBondContact O-N 2.87Å; K190-L193 PolarHBondContact O-N 3.36Å; K190-A194 PolarHBondContact O-N 3.18Å
191D97.9Very high96.7Very high96 Ų9698.7 Ų98.751%0.51350%0.502SS..Hα-helixtrans-67.1-41.1-179.6-62-19.7000111.3I187 A188 A194 Q195I187-D191 PolarHBondContact O-N 3.19Å; A188-D191 PolarHBondContact O-N 3.43Å; D191-A194 PolarHBondContact O-N 3.47Å; D191-Q195 WeakPolarHBondContact O-CB 3.43Å; D191-Q195 PolarHBondContact O-N 3.3Å
192I97.8Very high97Very high111 Ų111100.4 Ų100.457%0.56951%0.508SS*.Hα-helixtrans-62.5-43.4173-69.7166.8000110.8A188 I189 A194 Q195 V196A188-I192 WeakPolarHBondContact O-CB 3.25Å; A188-I192 WeakPolarHBondContact O-CD1 3.49Å; A188-I192 VanDerWaalsContact O-CG1 3.25Å; A188-I192 WeakPolarHBondContact O-CG1 3.44Å; A188-I192 PolarHBondContact O-N 3.03Å; I189-I192 PolarHBondContact O-N 3.41Å; I192-A194 PolarHBondContact O-N 2.86Å; I192-Q195 PolarHBondContact O-N 2.86Å; I192-V196 HydrophobicContact CG2-CG2 4.39Å; I192-V196 VanDerWaalsContact O-CG2 3.31Å; I192-V196 WeakPolarHBondContact O-CG2 3.23Å; I192-V196 PolarHBondContact O-N 2.97Å
193L98Very high97.2Very high111 Ų111102.2 Ų102.258%0.58152%0.52SS*.Hα-helixtrans-63-40.7177-73.5170.1000112.2I189 K190 V196 Q197I189-L193 HydrophobicContact CG2-CD1 3.92Å; I189-L193 HydrophobicContact CG2-CG 4.45Å; I189-L193 WeakPolarHBondContact O-CB 3.34Å; I189-L193 VanDerWaalsContact O-CG 3.27Å; I189-L193 WeakPolarHBondContact O-CG 3.44Å; I189-L193 PolarHBondContact O-N 3.45Å; K190-L193 PolarHBondContact O-N 3.36Å; L193-V196 PolarHBondContact O-N 2.68Å; L193-Q197 PolarHBondContact O-N 2.83Å
194A97.9Very high97.3Very high62 Ų62101.3 Ų101.351%0.51252%0.52SS..Hα-helixtrans-63.2-42.2174.200000111.8K190 D191 I192 Q197 K198K190-A194 PolarHBondContact O-N 3.18Å; D191-A194 PolarHBondContact O-N 3.47Å; I192-A194 PolarHBondContact O-N 2.86Å; A194-Q197 PolarHBondContact O-N 3.22Å; A194-K198 WeakPolarHBondContact O-CB 3.41Å; A194-K198 PolarHBondContact O-N 3.14Å
195Q97.8Very high97.4Very high113 Ų113102 Ų10253%0.52852%0.521SS..Hα-helixtrans-66.6-38.2176.6-175.960.919.200112.6D191 I192 T199D191-Q195 WeakPolarHBondContact O-CB 3.43Å; D191-Q195 PolarHBondContact O-N 3.3Å; I192-Q195 PolarHBondContact O-N 2.86Å; Q195-T199 WeakPolarHBondContact O-CB 3.35Å; Q195-T199 PolarHBondContact O-N 3.03Å; Q195-T199 PolarHBondContact O-OG1 3.19Å
196V98.2Very high97.6Very high89 Ų89100.1 Ų100.154%0.53952%0.515SS..Hα-helixtrans-62.2-45.2173166.60000110.5I192 L193 T199 K200I192-V196 HydrophobicContact CG2-CG2 4.39Å; I192-V196 VanDerWaalsContact O-CG2 3.31Å; I192-V196 WeakPolarHBondContact O-CG2 3.23Å; I192-V196 PolarHBondContact O-N 2.97Å; L193-V196 PolarHBondContact O-N 2.68Å; V196-T199 PolarHBondContact O-N 3.46Å; V196-K200 PolarHBondContact O-N 2.97Å
197Q98.1Very high97.6Very high90 Ų9095 Ų9542%0.42151%0.507SS..Hα-helixtrans-63-48.6177.9-176.354.145.200111.3L193 A194 T199 K200 D201L193-Q197 PolarHBondContact O-N 2.83Å; A194-Q197 PolarHBondContact O-N 3.22Å; Q197-T199 VanDerWaalsContact C-N 3.26Å; Q197-T199 PolarHBondContact O-N 3.47Å; Q197-K200 WeakPolarHBondContact O-CA 3.41Å; Q197-K200 WeakPolarHBondContact O-CB 3.43Å; Q197-K200 PolarHBondContact O-N 2.92Å; Q197-D201 PolarHBondContact NE2-OD1 3.37Å; Q197-D201 PolarHBondContact NE2-OD2 3.16Å; Q197-D201 PolarHBondContact O-N 3.35Å
198K98Very high97.6Very high147 Ų14794 Ų9464%0.63951%0.508SS*.Hα-helixtrans-55.5-39.2174.5-176.8175.4-178.4174.10112.9A194 L202A194-K198 WeakPolarHBondContact O-CB 3.41Å; A194-K198 PolarHBondContact O-N 3.14Å; K198-L202 PolarHBondContact O-N 3.06Å
199T97.1Very high97.6Very high77 Ų7796.2 Ų96.247%0.47251%0.514SS..Hα-helixtrans-69.6-36.6177.2-55.30000111.7Q195 V196 Q197 L203Q195-T199 WeakPolarHBondContact O-CB 3.35Å; Q195-T199 PolarHBondContact O-N 3.03Å; Q195-T199 PolarHBondContact O-OG1 3.19Å; V196-T199 PolarHBondContact O-N 3.46Å; Q197-T199 VanDerWaalsContact C-N 3.26Å; Q197-T199 PolarHBondContact O-N 3.47Å; T199-L203 WeakPolarHBondContact O-CB 3.49Å; T199-L203 PolarHBondContact O-N 2.92Å
200K97.9Very high97.6Very high119 Ų11998.3 Ų98.352%0.51752%0.521SS..Hα-helixtrans-66.4-41.2174.8-172.8-176.8179-1730111.9V196 Q197 L203 N204V196-K200 PolarHBondContact O-N 2.97Å; Q197-K200 WeakPolarHBondContact O-CA 3.41Å; Q197-K200 WeakPolarHBondContact O-CB 3.43Å; Q197-K200 PolarHBondContact O-N 2.92Å; K200-L203 WeakPolarHBondContact O-CB 3.49Å; K200-L203 PolarHBondContact O-N 3.33Å; K200-N204 VanDerWaalsContact O-CG 3.27Å; K200-N204 PolarHBondContact O-N 3.44Å; K200-N204 PolarHBondContact O-ND2 3.14Å
201D97.7Very high97.6Very high68 Ų6893.7 Ų93.736%0.36451%0.512SS..Hα-helixtrans-67.4-40.8178-62.2-34.2000111.3Q197 L203 N204 N205Q197-D201 PolarHBondContact NE2-OD1 3.37Å; Q197-D201 PolarHBondContact NE2-OD2 3.16Å; Q197-D201 PolarHBondContact O-N 3.35Å; D201-L203 VanDerWaalsContact C-N 3.33Å; D201-L203 PolarHBondContact O-N 3Å; D201-N204 PolarHBondContact O-N 3.34Å; D201-N205 PolarHBondContact O-N 2.96Å; D201-N205 PolarHBondContact O-OD1 2.97Å
202L96.9Very high97.5Very high110 Ų11093.1 Ų93.158%0.57651%0.509SS*.Hα-helixtrans-60.2-41171-177.463000112.3K198 N205 V206K198-L202 PolarHBondContact O-N 3.06Å; L202-N205 PolarHBondContact O-N 3.35Å; L202-V206 WeakPolarHBondContact O-CG2 3.45Å; L202-V206 PolarHBondContact O-N 3.19Å
203L97.4Very high97.5Very high114 Ų11492.6 Ų92.660%0.59751%0.507SS*.Hα-helixtrans-63.9-40.2177-17864.6000112.2T199 K200 D201 V206 A207T199-L203 WeakPolarHBondContact O-CB 3.49Å; T199-L203 PolarHBondContact O-N 2.92Å; K200-L203 WeakPolarHBondContact O-CB 3.49Å; K200-L203 PolarHBondContact O-N 3.33Å; D201-L203 VanDerWaalsContact C-N 3.33Å; D201-L203 PolarHBondContact O-N 3Å; L203-V206 PolarHBondContact O-N 3.4Å; L203-A207 PolarHBondContact O-N 3.26Å
204N96.9Very high97.5Very high87 Ų8791.6 Ų91.647%0.46550%0.499SS..Hα-helixtrans-63.5-41.1175.3-65.9-28.8000111.6K200 D201 A207 S208K200-N204 VanDerWaalsContact O-CG 3.27Å; K200-N204 PolarHBondContact O-N 3.44Å; K200-N204 PolarHBondContact O-ND2 3.14Å; D201-N204 PolarHBondContact O-N 3.34Å; N204-A207 PolarHBondContact O-N 2.7Å; N204-S208 PolarHBondContact O-N 3.41Å
205N96.8Very high97.5Very high97 Ų9791.7 Ų91.752%0.51950%0.5SS..Hα-helixtrans-62.9-46.9176.3-67.3-7.8000111.1D201 L202 A207 S208 D209D201-N205 PolarHBondContact O-N 2.96Å; D201-N205 PolarHBondContact O-OD1 2.97Å; L202-N205 PolarHBondContact O-N 3.35Å; N205-A207 VanDerWaalsContact C-N 3.32Å; N205-A207 PolarHBondContact O-N 3.44Å; N205-S208 WeakPolarHBondContact O-CB 3.06Å; N205-S208 PolarHBondContact O-N 3.48Å; N205-S208 VanDerWaalsContact O-N 3.13Å; N205-D209 PolarHBondContact O-N 2.84Å
206V97.6Very high97.6Very high75 Ų7593 Ų9346%0.45550%0.504SS..Hα-helixtrans-59.3-41.3176.2171.30000111.7L202 L203 S208 D209 E210L202-V206 WeakPolarHBondContact O-CG2 3.45Å; L202-V206 PolarHBondContact O-N 3.19Å; L203-V206 PolarHBondContact O-N 3.4Å; V206-S208 VanDerWaalsContact C-N 3.34Å; V206-S208 PolarHBondContact O-N 2.94Å; V206-D209 PolarHBondContact O-N 2.85Å; V206-E210 VanDerWaalsContact O-CB 3.32Å; V206-E210 WeakPolarHBondContact O-CB 3.36Å; V206-E210 PolarHBondContact O-N 2.71Å
207A97Very high97.6Very high53 Ų5392.4 Ų92.444%0.43850%0.497SS..Hα-helixtrans-65.7-34.9176.800000112.9L203 N204 N205 A211L203-A207 PolarHBondContact O-N 3.26Å; N204-A207 PolarHBondContact O-N 2.7Å; N205-A207 VanDerWaalsContact C-N 3.32Å; N205-A207 PolarHBondContact O-N 3.44Å; A207-A211 WeakPolarHBondContact O-CB 3.41Å; A207-A211 PolarHBondContact O-N 3.02Å; A207-A211 VanDerWaalsContact O-N 3.12Å
208S97.5Very high97.6Very high64 Ų6492 Ų9245%0.44850%0.495SS..Hα-helixtrans-66.1-46.6172.3-174.50000111.4N204 N205 V206 E210 A211 N212N204-S208 PolarHBondContact O-N 3.41Å; N205-S208 WeakPolarHBondContact O-CB 3.06Å; N205-S208 PolarHBondContact O-N 3.48Å; N205-S208 VanDerWaalsContact O-N 3.13Å; V206-S208 VanDerWaalsContact C-N 3.34Å; V206-S208 PolarHBondContact O-N 2.94Å; S208-E210 PolarHBondContact O-N 3.42Å; S208-A211 PolarHBondContact O-N 3.43Å; S208-N212 WeakPolarHBondContact O-CB 3.45Å; S208-N212 VanDerWaalsContact O-CG 3.28Å; S208-N212 PolarHBondContact O-N 2.99Å; S208-N212 PolarHBondContact O-ND2 3.47Å
209D97.3Very high97.6Very high93 Ų9391.5 Ų91.550%0.49749%0.493SS..Hα-helixtrans-64.1-40.2178.3-70.9-24.9000112N205 V206 N212 L213N205-D209 PolarHBondContact O-N 2.84Å; V206-D209 PolarHBondContact O-N 2.85Å; D209-N212 PolarHBondContact O-N 3.41Å; D209-L213 WeakPolarHBondContact O-CB 3.42Å; D209-L213 VanDerWaalsContact O-CG 3.26Å; D209-L213 WeakPolarHBondContact O-CG 3.45Å; D209-L213 PolarHBondContact O-N 3.24Å
210E97.1Very high97.6Very high133 Ų13395.9 Ų95.962%0.62150%0.501SS*.Hα-helixtrans-59.5-49.5173.9-176175.7-174.600111.3V206 S208 N212 L213 E214V206-E210 VanDerWaalsContact O-CB 3.32Å; V206-E210 WeakPolarHBondContact O-CB 3.36Å; V206-E210 PolarHBondContact O-N 2.71Å; S208-E210 PolarHBondContact O-N 3.42Å; E210-N212 VanDerWaalsContact C-N 3.35Å; E210-N212 PolarHBondContact O-N 3.22Å; E210-L213 PolarHBondContact O-N 3.33Å; E210-E214 PolarHBondContact O-N 2.88Å
211A97.8Very high97.6Very high59 Ų5994.8 Ų94.849%0.48850%0.496SS..Hα-helixtrans-61.8-40.8176.900000112.5A207 S208 A215A207-A211 WeakPolarHBondContact O-CB 3.41Å; A207-A211 PolarHBondContact O-N 3.02Å; A207-A211 VanDerWaalsContact O-N 3.12Å; S208-A211 PolarHBondContact O-N 3.43Å; A211-A215 WeakPolarHBondContact O-CB 3.43Å; A211-A215 PolarHBondContact O-N 3.03Å
212N97.6Very high97.6Very high84 Ų8496.7 Ų96.745%0.44951%0.506SS..Hα-helixtrans-65.7-37.1176.1-76-42.1000112.6S208 D209 E210 K216S208-N212 WeakPolarHBondContact O-CB 3.45Å; S208-N212 VanDerWaalsContact O-CG 3.28Å; S208-N212 PolarHBondContact O-N 2.99Å; S208-N212 PolarHBondContact O-ND2 3.47Å; D209-N212 PolarHBondContact O-N 3.41Å; E210-N212 VanDerWaalsContact C-N 3.35Å; E210-N212 PolarHBondContact O-N 3.22Å; N212-K216 WeakPolarHBondContact O-CG 3.44Å; N212-K216 PolarHBondContact O-N 3.25Å
213L97.9Very high97.7Very high99 Ų9994.1 Ų94.152%0.51849%0.491SS..Hα-helixtrans-72-42.6176.2-74.1171.9000111.7D209 E210 A215 K216 I217D209-L213 WeakPolarHBondContact O-CB 3.42Å; D209-L213 VanDerWaalsContact O-CG 3.26Å; D209-L213 WeakPolarHBondContact O-CG 3.45Å; D209-L213 PolarHBondContact O-N 3.24Å; E210-L213 PolarHBondContact O-N 3.33Å; L213-A215 VanDerWaalsContact C-N 3.34Å; L213-A215 PolarHBondContact O-N 2.81Å; L213-K216 WeakPolarHBondContact O-CB 3.5Å; L213-K216 PolarHBondContact O-N 2.89Å; L213-K216 VanDerWaalsContact O-N 3.17Å; L213-I217 WeakPolarHBondContact O-CB 3.17Å; L213-I217 VanDerWaalsContact O-CG1 3.27Å; L213-I217 WeakPolarHBondContact O-CG1 3.31Å; L213-I217 PolarHBondContact O-N 3.26Å
214E97.8Very high97.7Very high91 Ų9192.8 Ų92.843%0.42548%0.484SS..Hα-helixtrans-63.9-40.4177.6-16559.4-145.700111.2E210 K216 I217 E218 K221E210-E214 PolarHBondContact O-N 2.88Å; E214-K216 VanDerWaalsContact C-N 3.34Å; E214-K216 PolarHBondContact O-N 3.16Å; E214-I217 PolarHBondContact O-N 3.04Å; E214-I217 VanDerWaalsContact O-N 3.16Å; E214-E218 PolarHBondContact O-N 3.45Å; E214-K221 IonicContact OE1-NZ 3.04Å; E214-K221 PolarHBondContact OE1-NZ 2.83Å
215A98.1Very high97.7Very high63 Ų6393 Ų9352%0.52148%0.482SS..Hα-helixtrans-60.7-39.8173.300000112.8A211 L213 K219A211-A215 WeakPolarHBondContact O-CB 3.43Å; A211-A215 PolarHBondContact O-N 3.03Å; L213-A215 VanDerWaalsContact C-N 3.34Å; L213-A215 PolarHBondContact O-N 2.81Å; A215-K219 PolarHBondContact O-N 3.14Å; A215-K219 VanDerWaalsContact O-N 3.11Å
216K98.3Very high97.8Very high141 Ų14196.6 Ų96.661%0.61349%0.488SS*.Hα-helixtrans-66.3-41.1173.2-74.4170-177.6174.40111.5N212 L213 E214 K219 R220N212-K216 WeakPolarHBondContact O-CG 3.44Å; N212-K216 PolarHBondContact O-N 3.25Å; L213-K216 WeakPolarHBondContact O-CB 3.5Å; L213-K216 PolarHBondContact O-N 2.89Å; L213-K216 VanDerWaalsContact O-N 3.17Å; E214-K216 VanDerWaalsContact C-N 3.34Å; E214-K216 PolarHBondContact O-N 3.16Å; K216-K219 PolarHBondContact O-N 3.37Å; K216-R220 WeakPolarHBondContact O-CG 3.28Å; K216-R220 PolarHBondContact O-N 2.93Å
217I98.1Very high97.8Very high77 Ų7797.1 Ų97.140%0.39549%0.488SS..Hα-helixtrans-63-47.4178.3-74.6166000110.6L213 E214 R220 K221L213-I217 WeakPolarHBondContact O-CB 3.17Å; L213-I217 VanDerWaalsContact O-CG1 3.27Å; L213-I217 WeakPolarHBondContact O-CG1 3.31Å; L213-I217 PolarHBondContact O-N 3.26Å; E214-I217 PolarHBondContact O-N 3.04Å; E214-I217 VanDerWaalsContact O-N 3.16Å; I217-R220 PolarHBondContact O-N 2.97Å; I217-K221 HydrophobicContact CG2-CD 4.13Å; I217-K221 HydrophobicContact CG2-CG 4.45Å; I217-K221 WeakPolarHBondContact O-CG 3.44Å; I217-K221 PolarHBondContact O-N 3.32Å
218E98.1Very high97.8Very high82 Ų82102.6 Ų102.638%0.38350%0.498SS..Hα-helixtrans-62.7-43.9176.6-78.2-56.5140.800112.6E214 R220 K221 L222E214-E218 PolarHBondContact O-N 3.45Å; E218-R220 VanDerWaalsContact C-N 3.28Å; E218-R220 PolarHBondContact O-N 3.37Å; E218-K221 PolarHBondContact O-N 2.88Å; E218-K221 VanDerWaalsContact O-N 3.16Å; E218-K221 VanDerWaalsContact OE1-CD 3.23Å; E218-K221 WeakPolarHBondContact OE1-CD 3.05Å; E218-K221 WeakPolarHBondContact OE1-CE 3.47Å; E218-K221 IonicContact OE1-NZ 3.36Å; E218-K221 PolarHBondContact OE1-NZ 2.97Å; E218-L222 WeakPolarHBondContact O-CG 3.23Å; E218-L222 PolarHBondContact O-N 3.44Å
219K98.1Very high97.7Very high136 Ų136105 Ų10559%0.59150%0.5SS*.Hα-helixtrans-55.8-44.4172.9-175.4177.6177.21800111.6A215 K216 L222 E223A215-K219 PolarHBondContact O-N 3.14Å; A215-K219 VanDerWaalsContact O-N 3.11Å; K216-K219 PolarHBondContact O-N 3.37Å; K219-L222 PolarHBondContact O-N 3.36Å; K219-E223 VanDerWaalsContact CE-OE1 3.24Å; K219-E223 WeakPolarHBondContact CE-OE1 3.2Å; K219-E223 WeakPolarHBondContact O-CG 3.39Å; K219-E223 PolarHBondContact O-N 2.74Å
220R97.9Very high97.6Very high168 Ų168109.9 Ų109.963%0.63451%0.511SS*.Hα-helixtrans-68.1-37177-70.2-55.4-163.2-177.45.7113.1K216 I217 E218 E223 L224K216-R220 WeakPolarHBondContact O-CG 3.28Å; K216-R220 PolarHBondContact O-N 2.93Å; I217-R220 PolarHBondContact O-N 2.97Å; E218-R220 VanDerWaalsContact C-N 3.28Å; E218-R220 PolarHBondContact O-N 3.37Å; R220-E223 VanDerWaalsContact CD-OE2 3.26Å; R220-E223 WeakPolarHBondContact CD-OE2 3.44Å; R220-E223 IonicContact CZ-OE2 2.77Å; R220-E223 IonicContact NE-OE2 2.67Å; R220-E223 IonicContact NH1-OE2 3.2Å; R220-E223 PolarHBondContact NH1-OE2 3.35Å; R220-L224 WeakPolarHBondContact O-CB 3.32Å; R220-L224 PolarHBondContact O-N 2.61Å
221K98Very high97.5Very high96 Ų96107.9 Ų107.942%0.41750%0.504SS..Hα-helixtrans-59.9-46.4173.8-74169.2-172.1159.40110.6E214 I217 E218 L224 E225E214-K221 IonicContact OE1-NZ 3.04Å; E214-K221 PolarHBondContact OE1-NZ 2.83Å; I217-K221 HydrophobicContact CG2-CD 4.13Å; I217-K221 HydrophobicContact CG2-CG 4.45Å; I217-K221 WeakPolarHBondContact O-CG 3.44Å; I217-K221 PolarHBondContact O-N 3.32Å; E218-K221 PolarHBondContact O-N 2.88Å; E218-K221 VanDerWaalsContact O-N 3.16Å; E218-K221 VanDerWaalsContact OE1-CD 3.23Å; E218-K221 WeakPolarHBondContact OE1-CD 3.05Å; E218-K221 WeakPolarHBondContact OE1-CE 3.47Å; E218-K221 IonicContact OE1-NZ 3.36Å; E218-K221 PolarHBondContact OE1-NZ 2.97Å; K221-L224 PolarHBondContact O-N 3.34Å; K221-E225 PolarHBondContact O-N 3.37Å
222L98.1Very high97.3Very high109 Ų109111.5 Ų111.557%0.57151%0.511SS*.Hα-helixtrans-65.3-44.1178.4-67.8171.6000112.8E218 K219 L224 E225 R226E218-L222 WeakPolarHBondContact O-CG 3.23Å; E218-L222 PolarHBondContact O-N 3.44Å; K219-L222 PolarHBondContact O-N 3.36Å; L222-L224 VanDerWaalsContact C-N 3.31Å; L222-L224 PolarHBondContact O-N 3.4Å; L222-E225 PolarHBondContact O-N 3.33Å; L222-R226 WeakPolarHBondContact O-CB 3.38Å; L222-R226 PolarHBondContact O-N 2.96Å
223E97.9Very high97.1Very high56 Ų56111.7 Ų111.726%0.26252%0.516SS..Hα-helixtrans-57.8-44.7173.1-76171.7-170.900111.6K219 R220 R226 N227K219-E223 VanDerWaalsContact CE-OE1 3.24Å; K219-E223 WeakPolarHBondContact CE-OE1 3.2Å; K219-E223 WeakPolarHBondContact O-CG 3.39Å; K219-E223 PolarHBondContact O-N 2.74Å; R220-E223 VanDerWaalsContact CD-OE2 3.26Å; R220-E223 WeakPolarHBondContact CD-OE2 3.44Å; R220-E223 IonicContact CZ-OE2 2.77Å; R220-E223 IonicContact NE-OE2 2.67Å; R220-E223 IonicContact NH1-OE2 3.2Å; R220-E223 PolarHBondContact NH1-OE2 3.35Å; E223-R226 PolarHBondContact O-N 3.45Å; E223-N227 WeakPolarHBondContact O-CB 3.39Å; E223-N227 VanDerWaalsContact O-CG 3.23Å; E223-N227 PolarHBondContact O-N 3.43Å
224L97.8Very high96.7Very high86 Ų86113.1 Ų113.145%0.4552%0.523SS..Hα-helixtrans-68.2-38.3179.8-179.5148.9000112.3R220 K221 L222 N227 R228R220-L224 WeakPolarHBondContact O-CB 3.32Å; R220-L224 PolarHBondContact O-N 2.61Å; K221-L224 PolarHBondContact O-N 3.34Å; L222-L224 VanDerWaalsContact C-N 3.31Å; L222-L224 PolarHBondContact O-N 3.4Å; L224-N227 PolarHBondContact O-N 2.99Å; L224-R228 HydrophobicContact CD2-CG 4.4Å; L224-R228 VanDerWaalsContact CD2-CZ 3.49Å; L224-R228 WeakPolarHBondContact O-CB 3.29Å; L224-R228 WeakPolarHBondContact O-CG 3.24Å; L224-R228 PolarHBondContact O-N 2.86Å
225E98.1Very high96.3Very high90 Ų90115.7 Ų115.742%0.42154%0.535SS..Hα-helixtrans-65-44.4173.7-164.4-165.9156.300111.5K221 L222 N227 R228 K229K221-E225 PolarHBondContact O-N 3.37Å; L222-E225 PolarHBondContact O-N 3.33Å; E225-N227 VanDerWaalsContact C-N 3.33Å; E225-N227 PolarHBondContact O-N 3.29Å; E225-R228 PolarHBondContact O-N 3.44Å; E225-K229 WeakPolarHBondContact O-CG 3.27Å; E225-K229 PolarHBondContact O-N 3.4Å; E225-K229 WeakPolarHBondContact OE1-CE 3.44Å; E225-K229 IonicContact OE1-NZ 3.9Å; E225-K229 PolarHBondContact OE1-NZ 3.37Å
226R97.5Very high95.9Very high174 Ų174117.1 Ų117.166%0.65754%0.541SS*.Hα-helixtrans-59.4-44.6175-171.4-174.971.5174.51.2111.4L222 E223 K229 R230L222-R226 WeakPolarHBondContact O-CB 3.38Å; L222-R226 PolarHBondContact O-N 2.96Å; E223-R226 PolarHBondContact O-N 3.45Å; R226-K229 PolarHBondContact O-N 3.37Å; R226-R230 PolarHBondContact O-N 3.16Å
227N97.1Very high95.5Very high85 Ų85114.7 Ų114.746%0.45554%0.538SS..Hα-helixtrans-68-37.7178.7-70.6-8.1000112E223 L224 E225 R230 L231E223-N227 WeakPolarHBondContact O-CB 3.39Å; E223-N227 VanDerWaalsContact O-CG 3.23Å; E223-N227 PolarHBondContact O-N 3.43Å; L224-N227 PolarHBondContact O-N 2.99Å; E225-N227 VanDerWaalsContact C-N 3.33Å; E225-N227 PolarHBondContact O-N 3.29Å; N227-R230 PolarHBondContact O-N 2.83Å; N227-L231 WeakPolarHBondContact O-CB 3.35Å; N227-L231 PolarHBondContact O-N 3.32Å
228R96.9Very high95Very high169 Ų169117.3 Ų117.364%0.63854%0.543SS*.Hα-helixtrans-61.2-44.8171.5-80.5179.5174.5169.8-0.5112.2L224 E225 L231 Q232L224-R228 HydrophobicContact CD2-CG 4.4Å; L224-R228 VanDerWaalsContact CD2-CZ 3.49Å; L224-R228 WeakPolarHBondContact O-CB 3.29Å; L224-R228 WeakPolarHBondContact O-CG 3.24Å; L224-R228 PolarHBondContact O-N 2.86Å; E225-R228 PolarHBondContact O-N 3.44Å; R228-L231 PolarHBondContact O-N 2.88Å; R228-Q232 WeakPolarHBondContact O-CB 3.26Å; R228-Q232 PolarHBondContact O-N 2.99Å
229K96.8Very high94.6Very high113 Ų113116.1 Ų116.149%0.49154%0.543SS..Hα-helixtrans-60.5-46.3175-72.3174.3-175.9169.30111.2E225 R226 L231 Q232 T233E225-K229 WeakPolarHBondContact O-CG 3.27Å; E225-K229 PolarHBondContact O-N 3.4Å; E225-K229 WeakPolarHBondContact OE1-CE 3.44Å; E225-K229 IonicContact OE1-NZ 3.9Å; E225-K229 PolarHBondContact OE1-NZ 3.37Å; R226-K229 PolarHBondContact O-N 3.37Å; K229-L231 PolarHBondContact O-N 2.78Å; K229-Q232 PolarHBondContact O-N 3.2Å; K229-T233 PolarHBondContact O-N 3.45Å; K229-T233 PolarHBondContact O-OG1 2.6Å; K229-T233 VanDerWaalsContact O-OG1 3.14Å
230R95.5Very high94.1Very high196 Ų196114 Ų11474%0.7455%0.55SS*.Hα-helixtrans-59.4-43.5175.6-173.9178.9-178.6178.61.6112.3R226 N227 T233 L234R226-R230 PolarHBondContact O-N 3.16Å; N227-R230 PolarHBondContact O-N 2.83Å; R230-T233 PolarHBondContact O-N 3.45Å; R230-L234 WeakPolarHBondContact O-CB 3.47Å; R230-L234 PolarHBondContact O-N 3.37Å
231L94Very high93.7Very high91 Ų91112.4 Ų112.448%0.47655%0.548SS..Hα-helixtrans-63.2-44.5176.3178.263000111.4N227 R228 K229 T233 L234 Q235N227-L231 WeakPolarHBondContact O-CB 3.35Å; N227-L231 PolarHBondContact O-N 3.32Å; R228-L231 PolarHBondContact O-N 2.88Å; K229-L231 PolarHBondContact O-N 2.78Å; L231-T233 PolarHBondContact O-N 2.96Å; L231-L234 PolarHBondContact O-N 2.79Å; L231-Q235 HydrophobicContact CD1-CG 4.16Å; L231-Q235 HydrophobicContact CG-CG 4.4Å; L231-Q235 WeakPolarHBondContact O-CB 3.42Å; L231-Q235 WeakPolarHBondContact O-CG 3.43Å; L231-Q235 PolarHBondContact O-N 3.31Å
232Q94.6Very high93.5Very high135 Ų135110.4 Ų110.463%0.63154%0.541SS*.Hα-helixtrans-61.5-42.9177.1-174.5-179.94.600111.7R228 K229 Q235 S236R228-Q232 WeakPolarHBondContact O-CB 3.26Å; R228-Q232 PolarHBondContact O-N 2.99Å; K229-Q232 PolarHBondContact O-N 3.2Å; Q232-Q235 PolarHBondContact O-N 3.03Å; Q232-S236 WeakPolarHBondContact O-CB 3.4Å; Q232-S236 PolarHBondContact O-N 3.34Å; Q232-S236 PolarHBondContact O-OG 3.22Å
233T92.8Very high93.2Very high88 Ų88109.7 Ų109.754%0.5454%0.538SS..Hα-helixtrans-59.3-48.3172.4-560000110.8K229 R230 L231 Q235 S236 V237K229-T233 PolarHBondContact O-N 3.45Å; K229-T233 PolarHBondContact O-OG1 2.6Å; K229-T233 VanDerWaalsContact O-OG1 3.14Å; R230-T233 PolarHBondContact O-N 3.45Å; L231-T233 PolarHBondContact O-N 2.96Å; T233-Q235 VanDerWaalsContact C-N 3.33Å; T233-Q235 PolarHBondContact O-N 3.36Å; T233-S236 PolarHBondContact O-N 2.88Å; T233-S236 VanDerWaalsContact O-N 3.14Å; T233-S236 PolarHBondContact O-OG 3.44Å; T233-V237 WeakPolarHBondContact O-CG2 3.31Å; T233-V237 PolarHBondContact O-N 2.89Å
234L90.1Very high93Very high130 Ų130113.5 Ų113.568%0.68156%0.555SS**Hα-helixtrans-63.1-37.7-179.5-167.868.1000112.6R230 L231 V237R230-L234 WeakPolarHBondContact O-CB 3.47Å; R230-L234 PolarHBondContact O-N 3.37Å; L231-L234 PolarHBondContact O-N 2.79Å; L234-V237 PolarHBondContact O-N 2.97Å
235Q88.6Confident92.9Very high144 Ų144115.9 Ų115.967%0.67356%0.559SS**Hα-helixtrans-70.9-28.7174.8-74177.7-33.800113.3L231 Q232 T233 V237L231-Q235 HydrophobicContact CD1-CG 4.16Å; L231-Q235 HydrophobicContact CG-CG 4.4Å; L231-Q235 WeakPolarHBondContact O-CB 3.42Å; L231-Q235 WeakPolarHBondContact O-CG 3.43Å; L231-Q235 PolarHBondContact O-N 3.31Å; Q232-Q235 PolarHBondContact O-N 3.03Å; T233-Q235 VanDerWaalsContact C-N 3.33Å; T233-Q235 PolarHBondContact O-N 3.36Å; Q235-V237 VanDerWaalsContact C-N 3.32Å
236S90.4Very high92.7Very high93 Ų93115.2 Ų115.265%0.6556%0.556SS**Hα-helixtrans-76.5-18.2176.970.30000113.7Q232 T233Q232-S236 WeakPolarHBondContact O-CB 3.4Å; Q232-S236 PolarHBondContact O-N 3.34Å; Q232-S236 PolarHBondContact O-OG 3.22Å; T233-S236 PolarHBondContact O-N 2.88Å; T233-S236 VanDerWaalsContact O-N 3.14Å; T233-S236 PolarHBondContact O-OG 3.44Å
237V89.9Confident92.7Very high90 Ų90114.4 Ų114.455%0.54556%0.557SS.*SBendtrans-92.4116178.5175.40000109.4T233 L234 Q235T233-V237 WeakPolarHBondContact O-CG2 3.31Å; T233-V237 PolarHBondContact O-N 2.89Å; L234-V237 PolarHBondContact O-N 2.97Å; Q235-V237 VanDerWaalsContact C-N 3.32Å
238R86.4Confident92.7Very high132 Ų132115.9 Ų115.950%0.49856%0.564SS.*  trans-62.3125.7169178.9167.9163.6115.3-12.3108.9M242 D243 E246R238-M242 HydrophobicContact CG-CB 4.13Å; R238-M242 HydrophobicContact CG-CG 4.37Å; R238-D243 IonicContact CZ-OD1 3.87Å; R238-D243 IonicContact NE-OD1 3.95Å; R238-D243 PolarHBondContact NE-OD1 3.47Å; R238-D243 IonicContact NH2-OD1 3.69Å; R238-D243 PolarHBondContact NH2-OD1 2.83Å; R238-E246 IonicContact CZ-OE1 3.84Å; R238-E246 VanDerWaalsContact CZ-OE1 3.29Å; R238-E246 IonicContact CZ-OE2 3.93Å; R238-E246 IonicContact NH1-OE1 2.64Å; R238-E246 PolarHBondContact NH1-OE1 3.16Å; R238-E246 IonicContact NH1-OE2 2.74Å; R238-E246 IonicContact NH2-OE1 3.1Å; R238-E246 PolarHBondContact NH2-OE1 3.06Å; R238-E246 VanDerWaalsContact NH2-OE1 3.09Å; R238-E246 IonicContact NH2-OE2 3.68Å; R238-E246 PolarHBondContact NH2-OE2 3.44Å
239P90.5Very high92.7Very high58 Ų58112.6 Ų112.638%0.37756%0.556SS.*  trans-61.5137.5178.3-20.830.1000111.5F241 M242P239-F241 HydrophobicContact CB-CD1 4.1Å; P239-F241 HydrophobicContact CB-CD2 4.39Å; P239-F241 HydrophobicContact CB-CE1 3.57Å; P239-F241 HydrophobicContact CB-CE2 3.9Å; P239-F241 HydrophobicContact CB-CG 4.48Å; P239-F241 HydrophobicContact CB-CZ 3.46Å; P239-F241 VanDerWaalsContact CB-CZ 3.46Å; P239-F241 HydrophobicContact CG-CZ 4.16Å; P239-F241 PolarHBondContact O-N 3.45Å; P239-F241 VanDerWaalsContact O-N 3.14Å; P239-M242 HydrophobicContact CB-CG 4.05Å; P239-M242 HydrophobicContact CG-CG 4.08Å; P239-M242 WeakPolarHBondContact O-CB 3.34Å; P239-M242 WeakPolarHBondContact O-CG 3.48Å; P239-M242 PolarHBondContact O-N 3.4Å
240A87.3Confident92.7Very high90 Ų90112.9 Ų112.974%0.74456%0.559SS**THydrogen-bonded Turntrans-59.3-30.3-172.500000114.2M242A240-M242 VanDerWaalsContact C-N 3.31Å; A240-M242 PolarHBondContact O-N 3.16Å
241F90.3Very high92.8Very high135 Ų135107.8 Ų107.859%0.59254%0.544SS*.THydrogen-bonded Turntrans-77.8-8.2177.856.6-101.3000114.1P239 D243 E244 Y245P239-F241 HydrophobicContact CB-CD1 4.1Å; P239-F241 HydrophobicContact CB-CD2 4.39Å; P239-F241 HydrophobicContact CB-CE1 3.57Å; P239-F241 HydrophobicContact CB-CE2 3.9Å; P239-F241 HydrophobicContact CB-CG 4.48Å; P239-F241 HydrophobicContact CB-CZ 3.46Å; P239-F241 VanDerWaalsContact CB-CZ 3.46Å; P239-F241 HydrophobicContact CG-CZ 4.16Å; P239-F241 PolarHBondContact O-N 3.45Å; P239-F241 VanDerWaalsContact O-N 3.14Å; F241-D243 VanDerWaalsContact C-N 3.3Å; F241-D243 PolarHBondContact O-N 3.11Å; F241-E244 PolarHBondContact O-N 2.74Å; F241-Y245 WeakPolarHBondContact O-CB 3.26Å; F241-Y245 PolarHBondContact O-N 2.83Å
242M93.2Very high92.9Very high54 Ų54109.2 Ų109.227%0.26655%0.551SS.*Hα-helixtrans-64.4-36.4179-73.8-56.6-52.200112.2R238 P239 A240 E244 Y245 E246R238-M242 HydrophobicContact CG-CB 4.13Å; R238-M242 HydrophobicContact CG-CG 4.37Å; P239-M242 HydrophobicContact CB-CG 4.05Å; P239-M242 HydrophobicContact CG-CG 4.08Å; P239-M242 WeakPolarHBondContact O-CB 3.34Å; P239-M242 WeakPolarHBondContact O-CG 3.48Å; P239-M242 PolarHBondContact O-N 3.4Å; A240-M242 VanDerWaalsContact C-N 3.31Å; A240-M242 PolarHBondContact O-N 3.16Å; M242-E244 VanDerWaalsContact C-N 3.31Å; M242-E244 PolarHBondContact O-N 2.85Å; M242-Y245 HydrophobicContact CE-CD1 4.24Å; M242-Y245 PolarHBondContact O-N 2.89Å; M242-E246 WeakPolarHBondContact O-CG 3.37Å; M242-E246 PolarHBondContact O-N 3.01Å
243D91.1Very high93.1Very high94 Ų94108.8 Ų108.850%0.50355%0.549SS..Hα-helixtrans-68.1-34.5179.3-61.3-2.7000111.1R238 F241 K247R238-D243 IonicContact CZ-OD1 3.87Å; R238-D243 IonicContact NE-OD1 3.95Å; R238-D243 PolarHBondContact NE-OD1 3.47Å; R238-D243 IonicContact NH2-OD1 3.69Å; R238-D243 PolarHBondContact NH2-OD1 2.83Å; F241-D243 VanDerWaalsContact C-N 3.3Å; F241-D243 PolarHBondContact O-N 3.11Å; D243-K247 VanDerWaalsContact O-CB 3.3Å; D243-K247 WeakPolarHBondContact O-CB 3.32Å; D243-K247 PolarHBondContact O-N 3.3Å
244E93.7Very high93.3Very high136 Ų136109 Ų10964%0.63654%0.543SS*.Hα-helixtrans-72.5-40.7173.3-63.2-175.3169.100111.5F241 M242 K247 I248F241-E244 PolarHBondContact O-N 2.74Å; M242-E244 VanDerWaalsContact C-N 3.31Å; M242-E244 PolarHBondContact O-N 2.85Å; E244-K247 PolarHBondContact O-N 3.11Å; E244-I248 WeakPolarHBondContact O-CB 3.44Å; E244-I248 VanDerWaalsContact O-CG1 3.25Å; E244-I248 WeakPolarHBondContact O-CG1 3.32Å; E244-I248 PolarHBondContact O-N 3.12Å
245Y95.2Very high93.6Very high137 Ų137107.4 Ų107.454%0.53753%0.532SS..Hα-helixtrans-60.1-53.8176.1177.4-90.5000111.9F241 M242 K247 I248 E249F241-Y245 WeakPolarHBondContact O-CB 3.26Å; F241-Y245 PolarHBondContact O-N 2.83Å; M242-Y245 HydrophobicContact CE-CD1 4.24Å; M242-Y245 PolarHBondContact O-N 2.89Å; Y245-K247 VanDerWaalsContact C-N 3.25Å; Y245-K247 PolarHBondContact O-N 3.27Å; Y245-I248 PolarHBondContact O-N 3.23Å; Y245-I248 VanDerWaalsContact O-N 3.09Å; Y245-E249 WeakPolarHBondContact O-CB 3.22Å; Y245-E249 PolarHBondContact O-N 3.36Å
246E95.8Very high94.1Very high75 Ų75106.6 Ų106.635%0.3552%0.523SS..Hα-helixtrans-59.7-37.5179.5-72.6172.6-166.600111.3R238 M242 E249 E250R238-E246 IonicContact CZ-OE1 3.84Å; R238-E246 VanDerWaalsContact CZ-OE1 3.29Å; R238-E246 IonicContact CZ-OE2 3.93Å; R238-E246 IonicContact NH1-OE1 2.64Å; R238-E246 PolarHBondContact NH1-OE1 3.16Å; R238-E246 IonicContact NH1-OE2 2.74Å; R238-E246 IonicContact NH2-OE1 3.1Å; R238-E246 PolarHBondContact NH2-OE1 3.06Å; R238-E246 VanDerWaalsContact NH2-OE1 3.09Å; R238-E246 IonicContact NH2-OE2 3.68Å; R238-E246 PolarHBondContact NH2-OE2 3.44Å; M242-E246 WeakPolarHBondContact O-CG 3.37Å; M242-E246 PolarHBondContact O-N 3.01Å; E246-E249 PolarHBondContact O-N 3.22Å; E246-E250 PolarHBondContact O-N 2.91Å
247K96.2Very high94.4Very high157 Ų157106.9 Ų106.968%0.68352%0.518SS*.Hα-helixtrans-66.9-38.3175.3-176.6-179.4178.1-175.10113.1D243 E244 Y245 E251D243-K247 VanDerWaalsContact O-CB 3.3Å; D243-K247 WeakPolarHBondContact O-CB 3.32Å; D243-K247 PolarHBondContact O-N 3.3Å; E244-K247 PolarHBondContact O-N 3.11Å; Y245-K247 VanDerWaalsContact C-N 3.25Å; Y245-K247 PolarHBondContact O-N 3.27Å; K247-E251 PolarHBondContact O-N 3.34Å; K247-E251 VanDerWaalsContact O-N 3.16Å
248I96.8Very high94.8Very high117 Ų117105.8 Ų105.860%0.651%0.508SS*.Hα-helixtrans-71.6-37.6176.3-70.4166.6000110.5E244 Y245 E251 L252E244-I248 WeakPolarHBondContact O-CB 3.44Å; E244-I248 VanDerWaalsContact O-CG1 3.25Å; E244-I248 WeakPolarHBondContact O-CG1 3.32Å; E244-I248 PolarHBondContact O-N 3.12Å; Y245-I248 PolarHBondContact O-N 3.23Å; Y245-I248 VanDerWaalsContact O-N 3.09Å; I248-E251 PolarHBondContact O-N 3.43Å; I248-L252 WeakPolarHBondContact O-CB 3.37Å; I248-L252 PolarHBondContact O-N 2.94Å
249E96.9Very high95.4Very high99 Ų99105.7 Ų105.746%0.46351%0.508SS..Hα-helixtrans-61.9-47.4174.6-174.4176.9-155.800111.4Y245 E246 E251 L252 Q253Y245-E249 WeakPolarHBondContact O-CB 3.22Å; Y245-E249 PolarHBondContact O-N 3.36Å; E246-E249 PolarHBondContact O-N 3.22Å; E249-E251 VanDerWaalsContact C-N 3.32Å; E249-E251 PolarHBondContact O-N 3.21Å; E249-L252 PolarHBondContact O-N 3.17Å; E249-Q253 PolarHBondContact O-N 2.85Å
250E97.4Very high95.7Very high120 Ų120105.3 Ų105.356%0.56150%0.503SS*.Hα-helixtrans-57.4-42.2172.9-91.9-159.8-158.900113.2E246 K254E246-E250 PolarHBondContact O-N 2.91Å; E250-K254 WeakPolarHBondContact O-CD 3.46Å; E250-K254 VanDerWaalsContact O-CG 3.31Å; E250-K254 WeakPolarHBondContact O-CG 3.42Å; E250-K254 PolarHBondContact O-N 2.86Å; E250-K254 VanDerWaalsContact O-N 3.17Å; E250-K254 IonicContact OE2-NZ 2.68Å; E250-K254 PolarHBondContact OE2-NZ 2.76Å
251E97.1Very high96.2Very high88 Ų88106.9 Ų106.941%0.41150%0.495SS..Hα-helixtrans-70.2-41.9179.4-172.756.9-148.200111.3K247 I248 E249 Q253 K254 Q255K247-E251 PolarHBondContact O-N 3.34Å; K247-E251 VanDerWaalsContact O-N 3.16Å; I248-E251 PolarHBondContact O-N 3.43Å; E249-E251 VanDerWaalsContact C-N 3.32Å; E249-E251 PolarHBondContact O-N 3.21Å; E251-Q253 VanDerWaalsContact C-N 3.26Å; E251-Q253 PolarHBondContact O-N 2.8Å; E251-K254 PolarHBondContact O-N 3.44Å; E251-Q255 HydrophobicContact CG-CG 4.49Å; E251-Q255 WeakPolarHBondContact O-CG 3.37Å; E251-Q255 PolarHBondContact O-N 3.28Å; E251-Q255 PolarHBondContact OE1-NE2 2.86Å
252L97.3Very high96.6Very high121 Ų121107 Ų10763%0.63450%0.496SS*.Hα-helixtrans-56.6-41.9174178.262.9000111.3I248 E249 Q255 Y256I248-L252 WeakPolarHBondContact O-CB 3.37Å; I248-L252 PolarHBondContact O-N 2.94Å; E249-L252 PolarHBondContact O-N 3.17Å; L252-Q255 PolarHBondContact O-N 3.49Å; L252-Y256 WeakPolarHBondContact O-CB 3.49Å; L252-Y256 PolarHBondContact O-N 3.45Å
253Q97.3Very high96.8Very high126 Ų126109.6 Ų109.659%0.58951%0.505SS*.Hα-helixtrans-66.3-42.8178.5-168.6147.6700112.2E249 E251 Q255 Y256 D257E249-Q253 PolarHBondContact O-N 2.85Å; E251-Q253 VanDerWaalsContact C-N 3.26Å; E251-Q253 PolarHBondContact O-N 2.8Å; Q253-Q255 PolarHBondContact O-N 2.91Å; Q253-Y256 PolarHBondContact O-N 3.41Å; Q253-D257 PolarHBondContact O-N 3.37Å
254K97.9Very high97.1Very high93 Ų93113.7 Ų113.740%0.40451%0.514SS..Hα-helixtrans-60.6-42.8173.4-67.4159-164.5152.50111.9E250 E251 Y256 D257 I258E250-K254 WeakPolarHBondContact O-CD 3.46Å; E250-K254 VanDerWaalsContact O-CG 3.31Å; E250-K254 WeakPolarHBondContact O-CG 3.42Å; E250-K254 PolarHBondContact O-N 2.86Å; E250-K254 VanDerWaalsContact O-N 3.17Å; E250-K254 IonicContact OE2-NZ 2.68Å; E250-K254 PolarHBondContact OE2-NZ 2.76Å; E251-K254 PolarHBondContact O-N 3.44Å; K254-Y256 VanDerWaalsContact C-N 3.34Å; K254-D257 PolarHBondContact O-N 2.78Å; K254-I258 WeakPolarHBondContact O-CG1 3.36Å; K254-I258 PolarHBondContact O-N 2.98Å
255Q97.2Very high97.3Very high96 Ų96111.3 Ų111.345%0.44951%0.505SS..Hα-helixtrans-67.3-34.2176.9-65.5-58.1-32.600112.3E251 L252 Q253 I258 Y259E251-Q255 HydrophobicContact CG-CG 4.49Å; E251-Q255 WeakPolarHBondContact O-CG 3.37Å; E251-Q255 PolarHBondContact O-N 3.28Å; E251-Q255 PolarHBondContact OE1-NE2 2.86Å; L252-Q255 PolarHBondContact O-N 3.49Å; Q253-Q255 PolarHBondContact O-N 2.91Å; Q255-I258 PolarHBondContact O-N 3.04Å; Q255-Y259 WeakPolarHBondContact O-CB 3.41Å; Q255-Y259 PolarHBondContact O-N 3.18Å
256Y97.9Very high97.4Very high127 Ų127109.1 Ų109.150%0.49850%0.502SS..Hα-helixtrans-66.5-41.6175.8-174.9-106.6000112.5L252 Q253 K254 Y259 L260L252-Y256 WeakPolarHBondContact O-CB 3.49Å; L252-Y256 PolarHBondContact O-N 3.45Å; Q253-Y256 PolarHBondContact O-N 3.41Å; K254-Y256 VanDerWaalsContact C-N 3.34Å; Y256-Y259 HydrophobicContact CD2-CD1 4.4Å; Y256-Y259 HydrophobicContact CE2-CD1 4.41Å; Y256-Y259 WeakPolarHBondContact O-CB 3.48Å; Y256-Y259 PolarHBondContact O-N 3.36Å; Y256-L260 HydrophobicContact CD1-CD1 4Å; Y256-L260 HydrophobicContact CD1-CG 4.35Å; Y256-L260 HydrophobicContact CE1-CD1 3.48Å; Y256-L260 VanDerWaalsContact CE1-CD1 3.48Å; Y256-L260 HydrophobicContact CE1-CD2 4.47Å; Y256-L260 HydrophobicContact CE1-CG 3.97Å; Y256-L260 WeakPolarHBondContact O-CG 3.39Å; Y256-L260 PolarHBondContact O-N 3.48Å
257D97.8Very high97.5Very high99 Ų99107.5 Ų107.553%0.52950%0.502SS..Hα-helixtrans-61.6-45.4174.7-72.6-26.1000111.5Q253 K254 Y259 L260 E261Q253-D257 PolarHBondContact O-N 3.37Å; K254-D257 PolarHBondContact O-N 2.78Å; D257-Y259 VanDerWaalsContact C-N 3.31Å; D257-Y259 PolarHBondContact O-N 3.02Å; D257-L260 PolarHBondContact O-N 3.13Å; D257-E261 PolarHBondContact O-N 2.99Å
258I97.8Very high97.6Very high67 Ų67106.5 Ų106.534%0.34450%0.495SS..Hα-helixtrans-61.8-39.6175.1-65.7165.6000111.2K254 Q255 K262K254-I258 WeakPolarHBondContact O-CG1 3.36Å; K254-I258 PolarHBondContact O-N 2.98Å; Q255-I258 PolarHBondContact O-N 3.04Å; I258-K262 HydrophobicContact CG2-CD 4.03Å; I258-K262 WeakPolarHBondContact O-CB 3.2Å; I258-K262 WeakPolarHBondContact O-CG 3.23Å; I258-K262 PolarHBondContact O-N 3.32Å
259Y98Very high97.6Very high130 Ų130106 Ų10651%0.5149%0.493SS..Hα-helixtrans-63-45.9175.5167.6-96.7000111.5Q255 Y256 D257 E261 K262 F263Q255-Y259 WeakPolarHBondContact O-CB 3.41Å; Q255-Y259 PolarHBondContact O-N 3.18Å; Y256-Y259 HydrophobicContact CD2-CD1 4.4Å; Y256-Y259 HydrophobicContact CE2-CD1 4.41Å; Y256-Y259 WeakPolarHBondContact O-CB 3.48Å; Y256-Y259 PolarHBondContact O-N 3.36Å; D257-Y259 VanDerWaalsContact C-N 3.31Å; D257-Y259 PolarHBondContact O-N 3.02Å; Y259-E261 PolarHBondContact O-N 3.37Å; Y259-K262 PolarHBondContact O-N 3.49Å; Y259-F263 VanDerWaalsContact O-CB 3.25Å; Y259-F263 WeakPolarHBondContact O-CB 3.47Å; Y259-F263 PolarHBondContact O-N 3Å
260L98.1Very high97.6Very high50 Ų50106.2 Ų106.226%0.26249%0.494SS..Hα-helixtrans-62.1-40.1178.4-75.3-179.3000112.6Y256 D257 R264Y256-L260 HydrophobicContact CD1-CD1 4Å; Y256-L260 HydrophobicContact CD1-CG 4.35Å; Y256-L260 HydrophobicContact CE1-CD1 3.48Å; Y256-L260 VanDerWaalsContact CE1-CD1 3.48Å; Y256-L260 HydrophobicContact CE1-CD2 4.47Å; Y256-L260 HydrophobicContact CE1-CG 3.97Å; Y256-L260 WeakPolarHBondContact O-CG 3.39Å; Y256-L260 PolarHBondContact O-N 3.48Å; D257-L260 PolarHBondContact O-N 3.13Å; L260-R264 VanDerWaalsContact O-CG 3.32Å; L260-R264 WeakPolarHBondContact O-CG 3.31Å; L260-R264 PolarHBondContact O-N 2.9Å
261E97.7Very high97.5Very high124 Ų124105.8 Ų105.858%0.57949%0.492SS*.Hα-helixtrans-63.8-49.1175.1-174.2178.5-16300111.2D257 Y259 F263 R264 N265D257-E261 PolarHBondContact O-N 2.99Å; Y259-E261 PolarHBondContact O-N 3.37Å; E261-F263 VanDerWaalsContact C-N 3.32Å; E261-F263 PolarHBondContact O-N 3.42Å; E261-R264 PolarHBondContact O-N 3Å; E261-N265 WeakPolarHBondContact O-CB 3.4Å; E261-N265 VanDerWaalsContact O-CG 3.27Å; E261-N265 PolarHBondContact O-N 2.81Å; E261-N265 PolarHBondContact O-ND2 2.77Å
262K97.4Very high97.5Very high138 Ų138105.9 Ų105.960%0.649%0.492SS*.Hα-helixtrans-60.3-41176.5-73.8174.1-178.7173.60112.4I258 Y259 N265 L266I258-K262 HydrophobicContact CG2-CD 4.03Å; I258-K262 WeakPolarHBondContact O-CB 3.2Å; I258-K262 WeakPolarHBondContact O-CG 3.23Å; I258-K262 PolarHBondContact O-N 3.32Å; Y259-K262 PolarHBondContact O-N 3.49Å; K262-N265 PolarHBondContact O-N 3.31Å; K262-L266 WeakPolarHBondContact O-CB 3.16Å; K262-L266 PolarHBondContact O-N 3.34Å
263F98Very high97.5Very high108 Ų108104.9 Ų104.947%0.47449%0.487SS..Hα-helixtrans-64.6-43.9178.3-178.2-95.6000111.9Y259 E261 L266 A267Y259-F263 VanDerWaalsContact O-CB 3.25Å; Y259-F263 WeakPolarHBondContact O-CB 3.47Å; Y259-F263 PolarHBondContact O-N 3Å; E261-F263 VanDerWaalsContact C-N 3.32Å; E261-F263 PolarHBondContact O-N 3.42Å; F263-L266 PolarHBondContact O-N 2.86Å; F263-A267 WeakPolarHBondContact O-CB 3.4Å; F263-A267 PolarHBondContact O-N 3.33Å
264R98.1Very high97.4Very high180 Ų180105.3 Ų105.368%0.67949%0.489SS*.Hα-helixtrans-61.5-44.2173.9-74.5173.6-179.3175.23.5112.1L260 E261 Y268L260-R264 VanDerWaalsContact O-CG 3.32Å; L260-R264 WeakPolarHBondContact O-CG 3.31Å; L260-R264 PolarHBondContact O-N 2.9Å; E261-R264 PolarHBondContact O-N 3Å; R264-Y268 WeakPolarHBondContact O-CB 3.34Å; R264-Y268 PolarHBondContact O-N 3.48Å
265N97.3Very high97.4Very high85 Ų85103.3 Ų103.346%0.45548%0.483SS..Hα-helixtrans-65.1-40.9178.4-69.6-19.8000111.6E261 K262 L269E261-N265 WeakPolarHBondContact O-CB 3.4Å; E261-N265 VanDerWaalsContact O-CG 3.27Å; E261-N265 PolarHBondContact O-N 2.81Å; E261-N265 PolarHBondContact O-ND2 2.77Å; K262-N265 PolarHBondContact O-N 3.31Å; N265-L269 VanDerWaalsContact O-CG 3.27Å; N265-L269 WeakPolarHBondContact O-CG 3.47Å; N265-L269 PolarHBondContact O-N 2.81Å
266L97.4Very high97.3Very high91 Ų91103.8 Ų103.848%0.47649%0.485SS..Hα-helixtrans-61.8-54.2175.1179.763.9000111.1K262 F263 Y268 L269 E270K262-L266 WeakPolarHBondContact O-CB 3.16Å; K262-L266 PolarHBondContact O-N 3.34Å; F263-L266 PolarHBondContact O-N 2.86Å; L266-Y268 PolarHBondContact O-N 3.27Å; L266-L269 PolarHBondContact O-N 3.26Å; L266-E270 HydrophobicContact CD1-CG 4.15Å; L266-E270 HydrophobicContact CG-CG 4.31Å; L266-E270 WeakPolarHBondContact O-CG 3.22Å; L266-E270 PolarHBondContact O-N 3.31Å
267A97.4Very high97.2Very high41 Ų41102.9 Ų102.934%0.33949%0.485SS..Hα-helixtrans-58.2-35.9-18000000112.7F263 Q271F263-A267 WeakPolarHBondContact O-CB 3.4Å; F263-A267 PolarHBondContact O-N 3.33Å; A267-Q271 WeakPolarHBondContact O-CB 3.31Å; A267-Q271 PolarHBondContact O-N 3.43Å
268Y97.8Very high97.1Very high137 Ų137104.1 Ų104.154%0.53748%0.482SS..Hα-helixtrans-69.6-37174.9176.5-119.5000113.4R264 L266 Q272R264-Y268 WeakPolarHBondContact O-CB 3.34Å; R264-Y268 PolarHBondContact O-N 3.48Å; L266-Y268 PolarHBondContact O-N 3.27Å; Y268-Q272 HydrophobicContact CE2-CG 4.24Å; Y268-Q272 PolarHBondContact O-N 2.93Å; Y268-Q272 VanDerWaalsContact O-N 3.1Å
269L97.4Very high97Very high106 Ų106106 Ų10656%0.55549%0.491SS*.Hα-helixtrans-72.6-40175.6-71.6169.9000111.7N265 L266 Q272 L273N265-L269 VanDerWaalsContact O-CG 3.27Å; N265-L269 WeakPolarHBondContact O-CG 3.47Å; N265-L269 PolarHBondContact O-N 2.81Å; L266-L269 PolarHBondContact O-N 3.26Å; L269-Q272 PolarHBondContact O-N 3.44Å; L269-L273 WeakPolarHBondContact O-CB 3.46Å; L269-L273 PolarHBondContact O-N 3.01Å
270E96.4Very high96.7Very high104 Ų104105.3 Ų105.349%0.48649%0.492SS..Hα-helixtrans-58.8-48.3172.7-71.9172.7158.400110.5L266 Q272 L273 E274L266-E270 HydrophobicContact CD1-CG 4.15Å; L266-E270 HydrophobicContact CG-CG 4.31Å; L266-E270 WeakPolarHBondContact O-CG 3.22Å; L266-E270 PolarHBondContact O-N 3.31Å; E270-Q272 PolarHBondContact O-N 3.07Å; E270-L273 PolarHBondContact O-N 3.24Å; E270-L273 VanDerWaalsContact O-N 3.16Å; E270-E274 PolarHBondContact O-N 2.95Å
271Q97.1Very high96.4Very high110 Ų110107.8 Ų107.851%0.51450%0.502SS..Hα-helixtrans-59.1-45.8175.7-174-172.6-19.500112.5A267 L273 E274 D275A267-Q271 WeakPolarHBondContact O-CB 3.31Å; A267-Q271 PolarHBondContact O-N 3.43Å; Q271-L273 VanDerWaalsContact C-N 3.26Å; Q271-L273 PolarHBondContact O-N 3.28Å; Q271-E274 PolarHBondContact O-N 3.25Å; Q271-D275 WeakPolarHBondContact O-CB 3.33Å; Q271-D275 PolarHBondContact O-N 3.01Å
272Q96.8Very high96.2Very high91 Ų91106.4 Ų106.443%0.42550%0.496SS..Hα-helixtrans-62.3-34.6177.3-84-174.288.900112.8Y268 L269 E270 D275 H276Y268-Q272 HydrophobicContact CE2-CG 4.24Å; Y268-Q272 PolarHBondContact O-N 2.93Å; Y268-Q272 VanDerWaalsContact O-N 3.1Å; L269-Q272 PolarHBondContact O-N 3.44Å; E270-Q272 PolarHBondContact O-N 3.07Å; Q272-D275 PolarHBondContact O-N 2.92Å; Q272-H276 WeakPolarHBondContact O-CB 3.43Å; Q272-H276 PolarHBondContact O-N 2.99Å
273L95.8Very high95.9Very high100 Ų100108.7 Ų108.752%0.52450%0.501SS..Hα-helixtrans-73.1-39.5179.5-168.7150.2000110.9L269 E270 Q271 H276 H277L269-L273 WeakPolarHBondContact O-CB 3.46Å; L269-L273 PolarHBondContact O-N 3.01Å; E270-L273 PolarHBondContact O-N 3.24Å; E270-L273 VanDerWaalsContact O-N 3.16Å; Q271-L273 VanDerWaalsContact C-N 3.26Å; Q271-L273 PolarHBondContact O-N 3.28Å; L273-H276 PolarHBondContact O-N 3.28Å; L273-H277 WeakPolarHBondContact CD2-CE1 3.48Å; L273-H277 PolarHBondContact O-N 2.85Å
274E96.6Very high95.6Very high134 Ų134109.9 Ų109.963%0.62651%0.506SS*.Hα-helixtrans-61.8-43.5168.5-71.2-173.1166.600112.3E270 Q271 H277 R278E270-E274 PolarHBondContact O-N 2.95Å; Q271-E274 PolarHBondContact O-N 3.25Å; E274-H277 PolarHBondContact O-N 3.38Å; E274-R278 WeakPolarHBondContact O-CB 3.25Å; E274-R278 PolarHBondContact O-N 2.97Å
275D96.5Very high95.3Very high51 Ų51105.7 Ų105.727%0.27349%0.494SS..Hα-helixtrans-62.8-40176.3-78.2-27.2000111.9Q271 Q272 R278 M279Q271-D275 WeakPolarHBondContact O-CB 3.33Å; Q271-D275 PolarHBondContact O-N 3.01Å; Q272-D275 PolarHBondContact O-N 2.92Å; D275-R278 PolarHBondContact O-N 3.43Å; D275-R278 IonicContact OD1-CZ 3.22Å; D275-R278 IonicContact OD1-NH1 2.71Å; D275-R278 PolarHBondContact OD1-NH1 2.93Å; D275-R278 IonicContact OD1-NH2 3.66Å; D275-R278 PolarHBondContact OD1-NH2 2.93Å; D275-M279 PolarHBondContact O-N 3.04Å
276H96.2Very high95Very high106 Ų106107.8 Ų107.849%0.49150%0.501SS..Hα-helixtrans-65.2-50.1175.1-174.3-78.7000111.7Q272 L273 R278 M279 E280Q272-H276 WeakPolarHBondContact O-CB 3.43Å; Q272-H276 PolarHBondContact O-N 2.99Å; L273-H276 PolarHBondContact O-N 3.28Å; H276-R278 PolarHBondContact O-N 2.75Å; H276-M279 PolarHBondContact O-N 3.12Å; H276-E280 IonicContact CE1-OE2 2.6Å; H276-E280 PolarHBondContact CE1-OE2 3.27Å; H276-E280 IonicContact ND1-OE2 2.86Å; H276-E280 WeakPolarHBondContact O-CB 3.46Å; H276-E280 PolarHBondContact O-N 2.91Å
277H95.4Very high94.5Very high109 Ų109106.3 Ų106.351%0.50550%0.502SS..Hα-helixtrans-58.4-37.5176.5-71.9171.4000111.9L273 E274 E280 Q281L273-H277 WeakPolarHBondContact CD2-CE1 3.48Å; L273-H277 PolarHBondContact O-N 2.85Å; E274-H277 PolarHBondContact O-N 3.38Å; H277-E280 PolarHBondContact O-N 2.82Å; H277-Q281 VanDerWaalsContact O-CB 3.3Å; H277-Q281 WeakPolarHBondContact O-CB 3.35Å; H277-Q281 PolarHBondContact O-N 3.28Å
278R96.3Very high94.1Very high125 Ų125107.9 Ų107.947%0.47250%0.502SS..Hα-helixtrans-64.1-48174.8-172.5178.665.4-107-4.2112E274 D275 H276 E280 Q281 E282E274-R278 WeakPolarHBondContact O-CB 3.25Å; E274-R278 PolarHBondContact O-N 2.97Å; D275-R278 PolarHBondContact O-N 3.43Å; D275-R278 IonicContact OD1-CZ 3.22Å; D275-R278 IonicContact OD1-NH1 2.71Å; D275-R278 PolarHBondContact OD1-NH1 2.93Å; D275-R278 IonicContact OD1-NH2 3.66Å; D275-R278 PolarHBondContact OD1-NH2 2.93Å; H276-R278 PolarHBondContact O-N 2.75Å; R278-E280 VanDerWaalsContact C-N 3.32Å; R278-E280 PolarHBondContact O-N 2.95Å; R278-Q281 PolarHBondContact O-N 3.37Å; R278-E282 WeakPolarHBondContact CG-OE1 3.16Å; R278-E282 IonicContact NE-OE1 3.77Å; R278-E282 WeakPolarHBondContact O-CB 3.45Å; R278-E282 WeakPolarHBondContact O-CG 3.47Å; R278-E282 PolarHBondContact O-N 3.03Å
279M94.5Very high93.6Very high107 Ų107106 Ų10653%0.52750%0.501SS..Hα-helixtrans-65.8-33.3177.6-73-160.1-58.300113.2D275 H276 R283D275-M279 PolarHBondContact O-N 3.04Å; H276-M279 PolarHBondContact O-N 3.12Å; M279-R283 WeakPolarHBondContact O-CB 3.43Å; M279-R283 WeakPolarHBondContact O-CG 3.24Å; M279-R283 PolarHBondContact O-N 2.91Å
280E92.8Very high93.1Very high115 Ų115105.4 Ų105.454%0.53750%0.502SS..Hα-helixtrans-68.9-41.3175.8-171.2165.5-16100111.3H276 H277 R278 R283 F284H276-E280 IonicContact CE1-OE2 2.6Å; H276-E280 PolarHBondContact CE1-OE2 3.27Å; H276-E280 IonicContact ND1-OE2 2.86Å; H276-E280 WeakPolarHBondContact O-CB 3.46Å; H276-E280 PolarHBondContact O-N 2.91Å; H277-E280 PolarHBondContact O-N 2.82Å; R278-E280 VanDerWaalsContact C-N 3.32Å; R278-E280 PolarHBondContact O-N 2.95Å; E280-R283 PolarHBondContact O-N 3.29Å; E280-F284 WeakPolarHBondContact O-CB 3.27Å; E280-F284 PolarHBondContact O-N 3.49Å
281Q92.4Very high92.4Very high101 Ų101106 Ų10647%0.47251%0.508SS..Hα-helixtrans-63.2-46.9172.2-177.463.327.900112H277 R278 R283 F284 E285H277-Q281 VanDerWaalsContact O-CB 3.3Å; H277-Q281 WeakPolarHBondContact O-CB 3.35Å; H277-Q281 PolarHBondContact O-N 3.28Å; R278-Q281 PolarHBondContact O-N 3.37Å; Q281-R283 VanDerWaalsContact C-N 3.34Å; Q281-R283 PolarHBondContact O-N 3.4Å; Q281-F284 PolarHBondContact O-N 2.92Å; Q281-F284 VanDerWaalsContact O-N 3.16Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.47Å; Q281-E285 PolarHBondContact NE2-OE1 2.76Å; Q281-E285 WeakPolarHBondContact O-CG 3.41Å; Q281-E285 PolarHBondContact O-N 2.94Å
282E93.7Very high91.9Very high96 Ų96107.1 Ų107.145%0.44951%0.508SS..Hα-helixtrans-57.2-45.5175.4-75.1168.4-173.300111.2R278 F284 E285 E286R278-E282 WeakPolarHBondContact CG-OE1 3.16Å; R278-E282 IonicContact NE-OE1 3.77Å; R278-E282 WeakPolarHBondContact O-CB 3.45Å; R278-E282 WeakPolarHBondContact O-CG 3.47Å; R278-E282 PolarHBondContact O-N 3.03Å; E282-F284 PolarHBondContact O-N 2.86Å; E282-E285 PolarHBondContact O-N 2.97Å; E282-E286 WeakPolarHBondContact O-CG 3.45Å; E282-E286 PolarHBondContact O-N 3.33Å
283R91.1Very high91.4Very high186 Ų186107.6 Ų107.670%0.70251%0.513SS*.Hα-helixtrans-63.8-38.6175-80.5178.5166.9-169.9-1.8113.5M279 E280 Q281 E286 A287M279-R283 WeakPolarHBondContact O-CB 3.43Å; M279-R283 WeakPolarHBondContact O-CG 3.24Å; M279-R283 PolarHBondContact O-N 2.91Å; E280-R283 PolarHBondContact O-N 3.29Å; Q281-R283 VanDerWaalsContact C-N 3.34Å; Q281-R283 PolarHBondContact O-N 3.4Å; R283-E286 PolarHBondContact O-N 3.24Å; R283-A287 WeakPolarHBondContact O-CB 3.46Å; R283-A287 PolarHBondContact O-N 3.22Å
284F89.8Confident90.7Very high133 Ų133108.5 Ų108.558%0.58352%0.516SS*.Hα-helixtrans-64.5-43.4176.4-173.7-91.1000110.6E280 Q281 E282 A287 E288E280-F284 WeakPolarHBondContact O-CB 3.27Å; E280-F284 PolarHBondContact O-N 3.49Å; Q281-F284 PolarHBondContact O-N 2.92Å; Q281-F284 VanDerWaalsContact O-N 3.16Å; E282-F284 PolarHBondContact O-N 2.86Å; F284-A287 PolarHBondContact O-N 3.33Å; F284-E288 WeakPolarHBondContact O-CB 3.27Å; F284-E288 PolarHBondContact O-N 3.01Å
285E92Very high89.8Confident91 Ų91106.9 Ų106.943%0.42551%0.508SS..Hα-helixtrans-65.7-39.9175-70.6176.3-162.100112.3Q281 E282 E288 N289Q281-E285 WeakPolarHBondContact CG-OE1 3.47Å; Q281-E285 PolarHBondContact NE2-OE1 2.76Å; Q281-E285 WeakPolarHBondContact O-CG 3.41Å; Q281-E285 PolarHBondContact O-N 2.94Å; E282-E285 PolarHBondContact O-N 2.97Å; E285-E288 PolarHBondContact O-N 2.81Å; E285-N289 VanDerWaalsContact O-CB 3.26Å; E285-N289 WeakPolarHBondContact O-CB 3.31Å; E285-N289 VanDerWaalsContact O-CG 3.25Å; E285-N289 PolarHBondContact O-N 2.85Å; E285-N289 PolarHBondContact O-ND2 3.45Å
286E91Very high89Confident130 Ų130109 Ų10961%0.60752%0.519SS*.Hα-helixtrans-61.9-43.5172.3-76.6-177.1165.100112.2E282 R283 T290E282-E286 WeakPolarHBondContact O-CG 3.45Å; E282-E286 PolarHBondContact O-N 3.33Å; R283-E286 PolarHBondContact O-N 3.24Å; E286-T290 WeakPolarHBondContact O-CB 3.36Å; E286-T290 PolarHBondContact O-N 3.34Å; E286-T290 PolarHBondContact O-OG1 3.45Å
287A87.5Confident88.3Confident59 Ų59109.7 Ų109.749%0.48852%0.521SS..Hα-helixtrans-66.3-4317700000111.6R283 F284 T290 L291R283-A287 WeakPolarHBondContact O-CB 3.46Å; R283-A287 PolarHBondContact O-N 3.22Å; F284-A287 PolarHBondContact O-N 3.33Å; A287-T290 PolarHBondContact O-N 3.09Å; A287-L291 WeakPolarHBondContact O-CB 3.16Å; A287-L291 PolarHBondContact O-N 2.93Å
288E88.8Confident87.3Confident75 Ų75108.7 Ų108.735%0.3552%0.519SS..Hα-helixtrans-63.3-45.5175.6-162.2-164.4168.300111.2F284 E285 T290 L291 R292F284-E288 WeakPolarHBondContact O-CB 3.27Å; F284-E288 PolarHBondContact O-N 3.01Å; E285-E288 PolarHBondContact O-N 2.81Å; E288-T290 VanDerWaalsContact C-N 3.31Å; E288-T290 PolarHBondContact O-N 2.96Å; E288-L291 PolarHBondContact O-N 3.35Å; E288-R292 WeakPolarHBondContact O-CB 3.39Å; E288-R292 VanDerWaalsContact O-CG 3.27Å; E288-R292 WeakPolarHBondContact O-CG 3Å; E288-R292 PolarHBondContact O-N 3.42Å; E288-R292 IonicContact OE1-CZ 3.85Å; E288-R292 IonicContact OE1-NE 3.15Å; E288-R292 PolarHBondContact OE1-NE 3.48Å; E288-R292 IonicContact OE1-NH2 2.87Å; E288-R292 PolarHBondContact OE1-NH2 3.29Å; E288-R292 IonicContact OE2-NH2 2.86Å
289N87.7Confident86.4Confident96 Ų96107.7 Ų107.751%0.51352%0.518SS..Hα-helixtrans-60.9-40175.8-78.5-48.5000112E285 L293E285-N289 VanDerWaalsContact O-CB 3.26Å; E285-N289 WeakPolarHBondContact O-CB 3.31Å; E285-N289 VanDerWaalsContact O-CG 3.25Å; E285-N289 PolarHBondContact O-N 2.85Å; E285-N289 PolarHBondContact O-ND2 3.45Å; N289-L293 WeakPolarHBondContact O-CB 2.98Å; N289-L293 PolarHBondContact O-N 3.34Å
290T86.7Confident85.5Confident94 Ų94107.6 Ų107.658%0.57752%0.516SS*.Hα-helixtrans-66.4-43.6176.3-58.20000111.6E286 A287 E288 L293 M294E286-T290 WeakPolarHBondContact O-CB 3.36Å; E286-T290 PolarHBondContact O-N 3.34Å; E286-T290 PolarHBondContact O-OG1 3.45Å; A287-T290 PolarHBondContact O-N 3.09Å; E288-T290 VanDerWaalsContact C-N 3.31Å; E288-T290 PolarHBondContact O-N 2.96Å; T290-L293 PolarHBondContact O-N 2.95Å; T290-M294 PolarHBondContact O-N 3.27Å
291L82.6Confident84.4Confident118 Ų118107.7 Ų107.762%0.61852%0.517SS*.Hα-helixtrans-65.4-43.1177-176.362.9000111.6A287 E288 L293 M294 Q295A287-L291 WeakPolarHBondContact O-CB 3.16Å; A287-L291 PolarHBondContact O-N 2.93Å; E288-L291 PolarHBondContact O-N 3.35Å; L291-L293 VanDerWaalsContact C-N 3.33Å; L291-L293 PolarHBondContact O-N 3.48Å; L291-M294 PolarHBondContact O-N 2.94Å; L291-Q295 WeakPolarHBondContact O-CB 3.34Å; L291-Q295 PolarHBondContact O-N 2.94Å
292R86.4Confident83.1Confident132 Ų132108.2 Ų108.250%0.49852%0.519SS..Hα-helixtrans-58.6-42.9172.4-74.6173.6177.7-156.93.5111.3E288 Q295 N296E288-R292 WeakPolarHBondContact O-CB 3.39Å; E288-R292 VanDerWaalsContact O-CG 3.27Å; E288-R292 WeakPolarHBondContact O-CG 3Å; E288-R292 PolarHBondContact O-N 3.42Å; E288-R292 IonicContact OE1-CZ 3.85Å; E288-R292 IonicContact OE1-NE 3.15Å; E288-R292 PolarHBondContact OE1-NE 3.48Å; E288-R292 IonicContact OE1-NH2 2.87Å; E288-R292 PolarHBondContact OE1-NH2 3.29Å; E288-R292 IonicContact OE2-NH2 2.86Å; R292-Q295 PolarHBondContact O-N 3.26Å; R292-N296 WeakPolarHBondContact O-CB 3.37Å; R292-N296 PolarHBondContact O-N 2.92Å; R292-N296 PolarHBondContact O-ND2 2.83Å
293L85.9Confident81.8Confident102 Ų102111.3 Ų111.353%0.53453%0.531SS..Hα-helixtrans-64.3-41.1176.3-170.870.8000111.9N289 T290 L291 N296 K297N289-L293 WeakPolarHBondContact O-CB 2.98Å; N289-L293 PolarHBondContact O-N 3.34Å; T290-L293 PolarHBondContact O-N 2.95Å; L291-L293 VanDerWaalsContact C-N 3.33Å; L291-L293 PolarHBondContact O-N 3.48Å; L293-N296 PolarHBondContact O-N 2.66Å; L293-K297 WeakPolarHBondContact O-CG 3.29Å; L293-K297 PolarHBondContact O-N 2.87Å
294M80.6Confident80.5Confident119 Ų119110.3 Ų110.359%0.58653%0.527SS*.Hα-helixtrans-67.1-43.3176.6-169.6173.5-172.400112T290 L291 N296 K297 L298T290-M294 PolarHBondContact O-N 3.27Å; L291-M294 PolarHBondContact O-N 2.94Å; M294-N296 VanDerWaalsContact C-N 3.33Å; M294-N296 PolarHBondContact O-N 3.34Å; M294-K297 PolarHBondContact O-N 2.87Å; M294-L298 HydrophobicContact CG-CD1 4.38Å; M294-L298 PolarHBondContact O-N 3.11Å
295Q77.3Confident79Confident100 Ų100110.2 Ų110.247%0.46753%0.532SS..Hα-helixtrans-62.5-39.8175.4-163.9-164.353.900111.6L291 R292 L298 K299L291-Q295 WeakPolarHBondContact O-CB 3.34Å; L291-Q295 PolarHBondContact O-N 2.94Å; R292-Q295 PolarHBondContact O-N 3.26Å; Q295-L298 PolarHBondContact O-N 2.67Å; Q295-K299 HydrophobicContact CG-CD 4.44Å; Q295-K299 WeakPolarHBondContact O-CB 3.5Å; Q295-K299 WeakPolarHBondContact O-CG 3.28Å; Q295-K299 PolarHBondContact O-N 3.46Å
296N80.9Confident77.3Confident94 Ų94112.8 Ų112.850%0.50355%0.548SS..Hα-helixtrans-67.5-38.2176.1-73.9-22.1000112.2R292 L293 M294 K299 E300R292-N296 WeakPolarHBondContact O-CB 3.37Å; R292-N296 PolarHBondContact O-N 2.92Å; R292-N296 PolarHBondContact O-ND2 2.83Å; L293-N296 PolarHBondContact O-N 2.66Å; M294-N296 VanDerWaalsContact C-N 3.33Å; M294-N296 PolarHBondContact O-N 3.34Å; N296-K299 PolarHBondContact O-N 3.43Å; N296-E300 PolarHBondContact O-N 2.9Å
297K81.2Confident75.5Confident121 Ų121115.4 Ų115.453%0.52656%0.558SS.*Hα-helixtrans-63.2-46.2172.5-75.6175.6179.2-179.80112L293 M294 K299 E300 E301L293-K297 WeakPolarHBondContact O-CG 3.29Å; L293-K297 PolarHBondContact O-N 2.87Å; M294-K297 PolarHBondContact O-N 2.87Å; K297-K299 PolarHBondContact O-N 3.18Å; K297-E300 PolarHBondContact O-N 2.8Å; K297-E300 VanDerWaalsContact O-N 3.08Å; K297-E301 PolarHBondContact O-N 3.14Å
298L74.1Confident73.3Confident88 Ų88117.9 Ų117.946%0.46157%0.571SS.*Hα-helixtrans-58-46.8175.5-79162.5000111.4M294 Q295 E300 E301 E302M294-L298 HydrophobicContact CG-CD1 4.38Å; M294-L298 PolarHBondContact O-N 3.11Å; Q295-L298 PolarHBondContact O-N 2.67Å; L298-E300 VanDerWaalsContact C-N 3.29Å; L298-E300 PolarHBondContact O-N 3.46Å; L298-E301 PolarHBondContact O-N 3.28Å; L298-E302 WeakPolarHBondContact O-CB 3.25Å; L298-E302 WeakPolarHBondContact O-CG 3.28Å; L298-E302 PolarHBondContact O-N 3.23Å
299K77.3Confident71Confident105 Ų105117 Ų11746%0.45758%0.582SS.*Hα-helixtrans-60.9-34174.1-73.3168.6176.9169.40113Q295 N296 K297 K303Q295-K299 HydrophobicContact CG-CD 4.44Å; Q295-K299 WeakPolarHBondContact O-CB 3.5Å; Q295-K299 WeakPolarHBondContact O-CG 3.28Å; Q295-K299 PolarHBondContact O-N 3.46Å; N296-K299 PolarHBondContact O-N 3.43Å; K297-K299 PolarHBondContact O-N 3.18Å; K299-K303 WeakPolarHBondContact O-CB 3.44Å; K299-K303 PolarHBondContact O-N 2.77Å; K299-K303 VanDerWaalsContact O-N 3.08Å
300E76.9Confident68.4Low104 Ų104117.4 Ų117.449%0.48659%0.592SS.*Hα-helixtrans-72.9-38174.5-160.5-168.6147.400112N296 K297 L298 K303 R304N296-E300 PolarHBondContact O-N 2.9Å; K297-E300 PolarHBondContact O-N 2.8Å; K297-E300 VanDerWaalsContact O-N 3.08Å; L298-E300 VanDerWaalsContact C-N 3.29Å; L298-E300 PolarHBondContact O-N 3.46Å; E300-K303 PolarHBondContact O-N 3.47Å; E300-R304 WeakPolarHBondContact O-CB 3.36Å; E300-R304 VanDerWaalsContact O-CG 3.31Å; E300-R304 WeakPolarHBondContact O-CG 3.41Å; E300-R304 PolarHBondContact O-N 3.11Å; E300-R304 IonicContact OE1-CZ 3.29Å; E300-R304 IonicContact OE1-NE 2.74Å; E300-R304 PolarHBondContact OE1-NE 3.36Å; E300-R304 IonicContact OE1-NH2 3.09Å; E300-R304 PolarHBondContact OE1-NH2 2.96Å; E300-R304 VanDerWaalsContact OE1-NH2 3.15Å
301E69.6Low65.9Low117 Ų117119.9 Ų119.955%0.54760%0.602SS.*Hα-helixtrans-68.8-44175.8-73.9-178.9172.300112.1K297 L298 K303 R304 L305K297-E301 PolarHBondContact O-N 3.14Å; L298-E301 PolarHBondContact O-N 3.28Å; E301-K303 VanDerWaalsContact C-N 3.34Å; E301-K303 PolarHBondContact O-N 2.82Å; E301-R304 WeakPolarHBondContact O-CB 3.35Å; E301-R304 PolarHBondContact O-N 2.88Å; E301-R304 VanDerWaalsContact O-N 3.11Å; E301-L305 WeakPolarHBondContact O-CG 3.37Å; E301-L305 PolarHBondContact O-N 3.02Å
302E65.1Low63.6Low113 Ų113120.9 Ų120.953%0.52861%0.608SS.*Hα-helixtrans-55.8-49169.2-74.9178.7156.600110.7L298 R304 L305 L306L298-E302 WeakPolarHBondContact O-CB 3.25Å; L298-E302 WeakPolarHBondContact O-CG 3.28Å; L298-E302 PolarHBondContact O-N 3.23Å; E302-R304 PolarHBondContact O-N 2.88Å; E302-L305 PolarHBondContact O-N 2.91Å; E302-L305 VanDerWaalsContact O-N 3.12Å; E302-L306 WeakPolarHBondContact O-CD1 3.34Å; E302-L306 PolarHBondContact O-N 2.98Å
303K65.2Low61.3Low160 Ų160121.7 Ų121.770%0.69662%0.623SS**Hα-helixtrans-64.6-23.5177.6-171.5172.6-1761740113.6K299 E300 E301 K307K299-K303 WeakPolarHBondContact O-CB 3.44Å; K299-K303 PolarHBondContact O-N 2.77Å; K299-K303 VanDerWaalsContact O-N 3.08Å; E300-K303 PolarHBondContact O-N 3.47Å; E301-K303 VanDerWaalsContact C-N 3.34Å; E301-K303 PolarHBondContact O-N 2.82Å; K303-K307 VanDerWaalsContact O-CB 3.31Å; K303-K307 WeakPolarHBondContact O-CB 3.21Å
304R64.9Low59.1Low165 Ų165121.4 Ų121.462%0.62363%0.629SS**Hα-helixtrans-80-39.7170.9-78.3171.6177.6-108.44111.9E300 E301 E302 K307 S308E300-R304 WeakPolarHBondContact O-CB 3.36Å; E300-R304 VanDerWaalsContact O-CG 3.31Å; E300-R304 WeakPolarHBondContact O-CG 3.41Å; E300-R304 PolarHBondContact O-N 3.11Å; E300-R304 IonicContact OE1-CZ 3.29Å; E300-R304 IonicContact OE1-NE 2.74Å; E300-R304 PolarHBondContact OE1-NE 3.36Å; E300-R304 IonicContact OE1-NH2 3.09Å; E300-R304 PolarHBondContact OE1-NH2 2.96Å; E300-R304 VanDerWaalsContact OE1-NH2 3.15Å; E301-R304 WeakPolarHBondContact O-CB 3.35Å; E301-R304 PolarHBondContact O-N 2.88Å; E301-R304 VanDerWaalsContact O-N 3.11Å; E302-R304 PolarHBondContact O-N 2.88Å; R304-K307 CarbonylContact O-C 3.56Å; R304-K307 PolarHBondContact O-N 2.87Å; R304-K307 VanDerWaalsContact O-N 3.14Å; R304-S308 PolarHBondContact O-N 3.16Å
305L58.5Low57.6Low131 Ų131123 Ų12369%0.68664%0.64SS**Hα-helixtrans-64.7-48.5176-73.7163.4000111.1E301 E302 K307 S308 G309E301-L305 WeakPolarHBondContact O-CG 3.37Å; E301-L305 PolarHBondContact O-N 3.02Å; E302-L305 PolarHBondContact O-N 2.91Å; E302-L305 VanDerWaalsContact O-N 3.12Å; L305-K307 PolarHBondContact O-N 3.42Å; L305-S308 PolarHBondContact O-N 3.44Å; L305-G309 PolarHBondContact O-N 2.95Å
306L55.3Low56Low146 Ų146125.4 Ų125.476%0.76466%0.655SS**THydrogen-bonded Turntrans-61.2-13171.6-87.193.8000113.8E302E302-L306 WeakPolarHBondContact O-CD1 3.34Å; E302-L306 PolarHBondContact O-N 2.98Å
307K52.5Low54.5Low185 Ų185128.1 Ų128.180%0.80467%0.669SS**THydrogen-bonded Turntrans-103.4-2177.1-164.9165-177.91760113.6K303 R304 L305K303-K307 VanDerWaalsContact O-CB 3.31Å; K303-K307 WeakPolarHBondContact O-CB 3.21Å; R304-K307 CarbonylContact O-C 3.56Å; R304-K307 PolarHBondContact O-N 2.87Å; R304-K307 VanDerWaalsContact O-N 3.14Å; L305-K307 PolarHBondContact O-N 3.42Å
308S41.6Very low52.7Low110 Ų110129.4 Ų129.477%0.76968%0.68SS**THydrogen-bonded Turntrans-116.3-3.6179.5-1660000114.3R304 L305R304-S308 PolarHBondContact O-N 3.16Å; L305-S308 PolarHBondContact O-N 3.44Å
309G40.4Very low51.3Low56 Ų56134.2 Ų134.258%0.57770%0.7SS**SBendtrans-105.3125163.200000109.7L305L305-G309 PolarHBondContact O-N 2.95Å
310S34Very low49.7Very low105 Ų105138 Ų13873%0.73472%0.719SS**  trans-86.5161.1177.7-169.30000111.2
311N33.5Very low47.9Very low146 Ų146141 Ų14178%0.78174%0.739SS**  trans75.7154.1171-59.822.5000114.5
312D35.5Very low46.7Very low140 Ų140142.9 Ų142.975%0.74975%0.753SS**  cis-175.5153.6-19.4179.926.4000105.5
313D36.2Very low45.3Very low149 Ų149146.2 Ų146.280%0.79777%0.768SS**  trans57.4165.7178.4-103.9-22.4000115.8
314S40Very low44.1Very low96 Ų96144.7 Ų144.767%0.67178%0.778SS**  cis-146.9145.7-3.950.70000110
315D50.1Low42.9Very low152 Ų152143.8 Ų143.881%0.81379%0.785SS**  trans-71.8129.9164.1-170.818.6000110.2
316I43.5Very low42Very low151 Ų151142.8 Ų142.877%0.77479%0.789SS**  trans-176.1131.6157.8-101.6153.4000111.3
317D49.2Very low41.2Very low151 Ų151144.8 Ų144.881%0.80780%0.795SS**  trans-70.3140.6172.9-67.8-63.7000113.2
318I43.7Very low40.4Very low148 Ų148144.7 Ų144.776%0.75980%0.802SS**  trans-137.9123.9145.3-62.5-174.3000109.2E320I318-E320 HydrophobicContact CG2-CG 4.05Å
319Q44.6Very low40.4Very low188 Ų188148 Ų14888%0.87981%0.805SS**  trans-86.4126.1161.8-65.1170.9-30.900108.5
320E42.7Very low40.1Very low184 Ų184152.2 Ų152.286%0.8681%0.81SS**  trans-136.3120.9153.2-71.1-169.1154.900108.4I318I318-E320 HydrophobicContact CG2-CG 4.05Å
321D40.3Very low40.2Very low169 Ų169158.4 Ų158.490%0.90482%0.817SS**  trans-68.2137.3164-76.3-53.8000108.6
322D43.7Very low40.2Very low155 Ų155161.2 Ų161.283%0.82982%0.817SS**  trans-146149.1153.1-135.8-17.4000110.5S324D322-S324 PolarHBondContact O-N 2.84Å
323E35.9Very low40.3Very low184 Ų184162.7 Ų162.786%0.8682%0.824SS**  trans-65.8125.2-153-65.5172.7128.200115.5
324S41Very low40.1Very low128 Ų128161.2 Ų161.290%0.89583%0.825SS**  trans-99.882.7166.7173.40000110.9D322D322-S324 PolarHBondContact O-N 2.84Å
325D39.3Very low39.9Very low145 Ų145166.1 Ų166.178%0.77583%0.834SS**  trans-111104.3172.4-169.920.9000111.9
326S39.9Very low39.5Very low111 Ų111164.8 Ų164.878%0.77683%0.834SS**SBendtrans-178.797.4151.222.30000112
327E36.6Very low38.9Very low187 Ų187169.4 Ų169.487%0.87484%0.842SS**  trans32.3110149.9-58.3-170.2142.100120.7E329E327-E329 PolarHBondContact O-N 2.88Å
328L37.7Very low38.1Very low184 Ų184168.6 Ų168.696%0.96384%0.843SS**  trans-77.4104164-73.9158.1000111.9
329E39.9Very low37.6Very low179 Ų179166 Ų16684%0.83684%0.843SS**  trans-97.9103158.3-86.6-128.9139.300111.7E327 R331E327-E329 PolarHBondContact O-N 2.88Å; E329-R331 PolarHBondContact O-N 2.99Å
330E35.7Very low36.9Very low145 Ų145164.9 Ų164.968%0.67884%0.84SS**  trans-72.790.8176.7-173.1-174.6-115.200111.1R332E330-R332 HydrophobicContact CG-CG 4.38Å; E330-R332 PolarHBondContact O-N 2.95Å; E330-R332 IonicContact OE2-CZ 2.7Å; E330-R332 VanDerWaalsContact OE2-CZ 3.27Å; E330-R332 IonicContact OE2-NE 3.53Å; E330-R332 PolarHBondContact OE2-NE 3.26Å; E330-R332 IonicContact OE2-NH2 3.4Å; E330-R332 PolarHBondContact OE2-NH2 3.01Å
331R34.9Very low36.3Very low235 Ų235163.5 Ų163.589%0.88783%0.833SS**  trans-65.296.2172.5-83.3-170.5171.8-131.7-2.2111.9E329 L333E329-R331 PolarHBondContact O-N 2.99Å; R331-L333 PolarHBondContact O-N 3.23Å
332R33.8Very low36Very low204 Ų204160.7 Ų160.777%0.7782%0.822SS**  trans-75.1118.9173-68.4-173.7175.7-163.3-4.3112.1E330E330-R332 HydrophobicContact CG-CG 4.38Å; E330-R332 PolarHBondContact O-N 2.95Å; E330-R332 IonicContact OE2-CZ 2.7Å; E330-R332 VanDerWaalsContact OE2-CZ 3.27Å; E330-R332 IonicContact OE2-NE 3.53Å; E330-R332 PolarHBondContact OE2-NE 3.26Å; E330-R332 IonicContact OE2-NH2 3.4Å; E330-R332 PolarHBondContact OE2-NH2 3.01Å
333L37.7Very low35.7Very low172 Ų172159.5 Ų159.590%0.90182%0.815SS**  trans-61.9137.7162.1-75.9156.1000110.7R331R331-L333 PolarHBondContact O-N 3.23Å
334S32.1Very low35.7Very low117 Ų117157.6 Ų157.682%0.81881%0.808SS**  trans-154.1135.7162.5-80.70000111.9
335K35.5Very low35.3Very low199 Ų199159.2 Ų159.287%0.86580%0.802SS**  trans-72.7156.4-179.1-80.9171.6173.1171.70112.5
336P40.8Very low34.9Very low125 Ų125155.7 Ų155.781%0.81280%0.8SS**  trans-69.8143.4170.831.2-35000110.9
337R32Very low34.6Very low247 Ų247162.1 Ų162.193%0.93281%0.807SS**  trans-141.3147.6163.7-103.3-173.3170.7172-3.5111.6
338T32.6Very low35.2Very low134 Ų134158.6 Ų158.682%0.82280%0.8SS**  trans-82.8158.6-17346.10000114.3
339A33Very low35Very low93 Ų93156.1 Ų156.177%0.76980%0.798SS**  trans90154.4143.800000120.7
340M30.3Very low34.8Very low166 Ų166155.4 Ų155.482%0.81879%0.792SS**  trans72.5115.2170.4-107.9150.8175.600116.4
341E29.9Very low34.5Very low154 Ų154158.2 Ų158.272%0.7280%0.797SS**  cis88.3129.144.6-171.6-165170.400113.3
342V34.3Very low34.4Very low110 Ų110155.3 Ų155.367%0.66780%0.797SS**  trans86.7125.7150.7146.80000123.2
343L37.4Very low34.4Very low130 Ų130151.8 Ų151.868%0.68180%0.798SS**  trans71.9139151.5-101.954.1000120.4
344M34.8Very low34.4Very low145 Ų145146.8 Ų146.871%0.71479%0.788SS**  cis-156.4134.745.8-88-148.7168.700113.2
345Q34Very low34.5Very low162 Ų162148.4 Ų148.476%0.75779%0.793SS**  73.1112.398-62.9-170.7-15.700119.4
346G29.6Very low34.6Very low71 Ų71147 Ų14773%0.73279%0.792SS**  95.789.9109.100000123.4
347R34.5Very low34.2Very low245 Ų245150.4 Ų150.493%0.92580%0.797SS**  trans56.7173.3136.8-74.5-171.2177.1-159.60.4120.2
348P48.8Very low34.3Very low114 Ų114142.1 Ų142.174%0.7479%0.788SS**  cis-130.3174.5-4637.8-22.8000113
349S33.1Very low34.2Very low132 Ų132139.5 Ų139.592%0.92379%0.788SS**  trans-155.3173.5162.7-97.70000114.7
350K35.3Very low34.3Very low164 Ų164141.8 Ų141.871%0.71379%0.787SS**  trans-136.9132.6-136-173.7178.8-175.8-179.70113.4
351R30.5Very low34.6Very low203 Ų203139.6 Ų139.677%0.76679%0.788SS**  trans53.7131.3156.2-65.2174.8-171-176-0.6120.8
352I31.9Very low35.2Very low175 Ų175139.4 Ų139.490%0.89779%0.792SS**  trans-133.2152.4140-66-174.1000108.1
353V34.8Very low35.4Very low130 Ų130142.5 Ų142.579%0.78880%0.799SS**  trans-139.7149.1-166.7173.40000111
354G36.8Very low35.5Very low67 Ų67143.3 Ų143.369%0.69181%0.805SS**  trans94.7142.8166.500000114.5
355T34.4Very low35.7Very low150 Ų150145.3 Ų145.392%0.9281%0.812SS**  cis-154168.537-570000112.2
356M37.6Very low36Very low170 Ų170145 Ų14584%0.83782%0.816SS**  trans-94.2140.2-166.1-57.5151.861.600116.1
357Q33Very low36.5Very low196 Ų196147.5 Ų147.592%0.91682%0.822SS**  trans-173147.7151.5-139.175.885.800108.8
358G32.7Very low36.7Very low73 Ų73144.8 Ų144.875%0.75382%0.819SS**  cis160.597.4-17.100000114.5
359G32Very low36.2Very low80 Ų80146.5 Ų146.583%0.82582%0.822SS**  trans104.1156.2175.200000114.7
360D34.2Very low36.6Very low141 Ų141145.5 Ų145.575%0.75482%0.815SS**  cis172.7118.9-10.3176.826.7000104.9
361S37.5Very low36.7Very low120 Ų120146.1 Ų146.184%0.83982%0.821SS**  trans-177.9120.2168.7-75.20000109.5
362D41.3Very low37.4Very low150 Ų150144.5 Ų144.580%0.80283%0.826SS**  trans-82.4-175.1179.3-68.9-53000113.4
363E39.4Very low37.8Very low174 Ų174142.4 Ų142.481%0.81382%0.816SS**  trans96.790.9161.3-55.9-175.6179.500117.9
364D38.7Very low38.2Very low148 Ų148142.4 Ų142.479%0.79181%0.809SS**  55.3116.9126.8-50.4-23.6000121.9
365E40.3Very low38.2Very low187 Ų187146.4 Ų146.487%0.87481%0.81SS**  177.6124.2101.5-93.4-173.6176.100112
366D40Very low38.5Very low156 Ų156146.2 Ų146.283%0.83480%0.804SS**  trans6119.2165.4-57.9-18.7000121
367S39.8Very low38.8Very low122 Ų122144.8 Ų144.885%0.85380%0.799SS**  trans-153.680.3154.9-74.30000109.7
368E39.6Very low39.3Very low188 Ų188144.5 Ų144.588%0.87980%0.798SS**  trans-78.5124.8175.3-70.1-168.1145.500111.5
369D38Very low40.1Very low150 Ų150149.6 Ų149.680%0.80280%0.802SS**  trans-59144.9168.1-104.8-47.2000111.1
370S40.5Very low40.7Very low111 Ų111154 Ų15478%0.77681%0.807SS**  trans-102.381.8163.5-64.30000109.2I372S370-I372 PolarHBondContact O-N 3.27Å
371E38.4Very low41.4Very low178 Ų178154.9 Ų154.983%0.83281%0.811SS**  trans-63.4129.6160.9-64.7-161.5144.400108.6
372I44.2Very low41.8Very low169 Ų169156.8 Ų156.887%0.86781%0.812SS**  trans-103.4110.3170.4-70.4175.8000106.5S370S370-I372 PolarHBondContact O-N 3.27Å
373D40.4Very low42.1Very low130 Ų130156.9 Ų156.970%0.69581%0.813SS**  trans-144155.9168.8-162.216000110.1
374M44Very low42.4Very low130 Ų130156.6 Ų156.664%0.6482%0.816SS**  trans65.6149.8176.3-43.1-55.6-122.900116.9
375E36.4Very low42.6Very low152 Ų152158.3 Ų158.371%0.7182%0.819SS**  cis-163.8126-20.1-105158.316500101.8
376D41.2Very low42.6Very low146 Ų146156.8 Ų156.878%0.78182%0.817SS**  66.4150.687-138.93.5000115.8
377D42.6Very low42.5Very low139 Ų139156.4 Ų156.474%0.74381%0.81SS**  trans64.9137-177.4-60.2-29.4000116.7
378E44.8Very low42.6Very low191 Ų191156.5 Ų156.589%0.89381%0.811SS**  cis-134.9152.733.2-72177.3151.800114.1
379E49.3Very low42.4Very low180 Ų180154 Ų15484%0.84180%0.802SS**  trans-72.8153.4168.2-57.2175.4138.300111.5
380D43Very low42.4Very low172 Ų172150.7 Ų150.792%0.9280%0.796SS**  trans-157.8102.6144.7-110.9-16.6000108.8
381D49.1Very low42.1Very low159 Ų159153 Ų15385%0.8580%0.798SS**  trans-71.8137.1160.8-97.5-31.7000108.3
382D46.7Very low42.1Very low161 Ų161149.7 Ų149.786%0.86180%0.795SS**  trans-146.2102.6157.4-125.1-11.1000110
383D47.6Very low42.1Very low151 Ų151147.8 Ų147.881%0.80779%0.794SS**  trans-61.8132171.6-100-40.7000110.3
384L45.1Very low41.8Very low169 Ų169146.2 Ų146.289%0.88580%0.799SS**  trans-126.592.5159.2-73.9179000110.4
385E43.3Very low41.6Very low184 Ų184149.4 Ų149.486%0.8681%0.809SS**  trans-54.9137.8152.2-56.3-175.8141.900109.7
386D40.8Very low41.7Very low154 Ų154148.4 Ų148.482%0.82482%0.815SS**  trans-155.6157.1131.9-147.4-7.8000112.7
387E37Very low41.3Very low148 Ų148147.3 Ų147.369%0.69282%0.82SS**  trans-72.1150.1-165-57.2-177.5125.700115.3
388S41.9Very low41Very low124 Ų124151.9 Ų151.987%0.86783%0.826SS**  -153.1135.8123.9440000112.6
389I35Very low40.6Very low136 Ų136154.5 Ų154.570%0.69783%0.828SS**  trans-101.2133-162.8-74.9167.8000112
390A38.6Very low40Very low81 Ų81152.7 Ų152.767%0.66983%0.829SS**  trans65.4152.3151.600000119.8
391L34.2Very low39.8Very low159 Ų159154.1 Ų154.183%0.83282%0.822SS**  cis-166.1170.6-8.7-111.9168.1000109.1
392S37.9Very low39.5Very low108 Ų108155.2 Ų155.276%0.75582%0.818SS**  trans98.9141161.1-51.60000117.4
393P45.1Very low39.1Very low130 Ų130153.6 Ų153.684%0.84482%0.817SS**  -124.5173.2-116.330.5-12.3000117.6
394A33.9Very low39.1Very low97 Ų97153.5 Ų153.580%0.80281%0.812SS**  trans-68.3157.2-164.200000117.5
395K40.8Very low39Very low197 Ų197151.3 Ų151.386%0.85781%0.808SS**  trans-116.6140.6147.5-75.7-179.9178.6172.60108.8S397K395-S397 PolarHBondContact O-N 3.21Å
396P37.1Very low38.9Very low130 Ų130150.3 Ų150.384%0.84481%0.807SS**  trans-74.3115.5-17428.8-33.9000111.4R398P396-R398 PolarHBondContact O-N 3.14Å
397S33.3Very low39Very low124 Ų124150.9 Ų150.987%0.86781%0.81SS**  trans-78.5118.9170.8-164.10000110.1K395 R399K395-S397 PolarHBondContact O-N 3.21Å; S397-R399 PolarHBondContact O-N 2.67Å
398R36.8Very low39.3Very low234 Ų234152.9 Ų152.988%0.88382%0.82SS**  trans-75.1115.3-175-159.2176.9-168.6177.22.8108.9P396 V400P396-R398 PolarHBondContact O-N 3.14Å; R398-V400 PolarHBondContact O-N 3.17Å; R398-V400 VanDerWaalsContact O-N 3.11Å
399R35Very low39.5Very low246 Ų246152.6 Ų152.693%0.92882%0.817SS**  trans-47.3118.5175.8-84.7-177.8170.7178.6-3.4110.4S397 R401S397-R399 PolarHBondContact O-N 2.67Å; R399-R401 PolarHBondContact O-N 2.92Å
400V37.6Very low40.2Very low142 Ų142152.6 Ų152.686%0.86182%0.819SS**  trans-75.1108.4168.5175.40000107.4R398 K402R398-V400 PolarHBondContact O-N 3.17Å; R398-V400 VanDerWaalsContact O-N 3.11Å; V400-K402 PolarHBondContact O-N 2.78Å
401R38.6Very low40.5Very low203 Ų203155 Ų15577%0.76682%0.82SS**PPolyproline II helixtrans-68.8118.4173.3-166.3175.1-178.9-175.8-2.3107.9R399 E404R399-R401 PolarHBondContact O-N 2.92Å; R401-E404 IonicContact NH2-OE1 3.14Å
402K42.3Very low41.2Very low181 Ų181154 Ų15479%0.78782%0.816SS**PPolyproline II helixtrans-62.5142.7165-77.2-177.2175.9179.40108.3V400V400-K402 PolarHBondContact O-N 2.78Å
403P39.8Very low41.5Very low128 Ų128162.2 Ų162.283%0.83184%0.839SS**PPolyproline II helixtrans-67.9138.516629.8-32.3000109.5
404E45.8Very low41.4Very low149 Ų149163.9 Ų163.970%0.69684%0.839SS**PPolyproline II helixtrans-68.8149.7170-74.3143178.700110.1R401R401-E404 IonicContact NH2-OE1 3.14Å
405P43.4Very low41.8Very low123 Ų123167.4 Ų167.480%0.79984%0.841SS**PPolyproline II helixtrans-68.4153.5167.132-33.6000110.1
406L42.3Very low41.8Very low163 Ų163165.7 Ų165.785%0.85384%0.84SS**PPolyproline II helixtrans-74.7126.9175.1-66.6161.1000109.2E408L406-E408 PolarHBondContact O-N 2.73Å
407D41.4Very low42.1Very low165 Ų165167.8 Ų167.888%0.88284%0.839SS**  trans-73.9109.6159.4-91.6-28.4000108.3
408E44.7Very low42.6Very low191 Ų191170.6 Ų170.689%0.89384%0.838SS**  trans-86108.2154.8-70.5-180162.200106.8L406L406-E408 PolarHBondContact O-N 2.73Å
409S46.5Very low43Very low117 Ų117166.3 Ų166.382%0.81884%0.835SS**  trans-130.7129.4165.1-1740000110.2
410D48.2Very low43.6Very low136 Ų136160.6 Ų160.673%0.72783%0.828SS**  trans-63.3157.7-175.9-95.3-28.6000116.3
411N46.1Very low44.1Very low131 Ų131162.1 Ų162.170%0.70183%0.825SS**  trans77.5150137.1-69.1-21.4000124.5
412D48.6Very low44.5Very low140 Ų140158.7 Ų158.775%0.74983%0.83SS**  trans68.882.1155.9-57.2-16.6000120.3
413F45.2Very low44.7Very low280 Ų280156.6 Ų156.6100%1.22883%0.834SS**  -170.7093.1-125.2-93.4000113.6

Retrieved 413 of 413 residues in 69.9 ms (Link to these results)

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