| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 66.5 | Low | 84.5 | Confident | 171 Ų | 171 | 94.1 Ų | 94.1 | 84% | 0.842 | 49% | 0.493 | S | S | * | . | 0 | -67 | 0 | -78.3 | -72.1 | 140.6 | 0 | 0 | 111.3 | L3 F4 F5 | M1-L3 PolarHBondContact O-N 3.21Å; M1-F4 WeakPolarHBondContact O-CB 3.35Å; M1-F4 PolarHBondContact O-N 3.05Å; M1-F5 HydrophobicContact CB-CE2 4.37Å; M1-F5 WeakPolarHBondContact O-CD2 3.32Å; M1-F5 PolarHBondContact O-N 3.09Å; M1-F5 VanDerWaalsContact O-N 3.07Å; M1-F5 HydrophobicContact SD-CE2 3.94Å | |||
| 2 | L | 75.9 | Confident | 85.2 | Confident | 155 Ų | 155 | 94.2 Ų | 94.2 | 81% | 0.812 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -51.3 | -47.9 | 179.4 | -85.8 | 149.7 | 0 | 0 | 0 | 115.1 | F4 F5 A6 | L2-F4 VanDerWaalsContact C-N 3.3Å; L2-F4 PolarHBondContact O-N 3.08Å; L2-F5 PolarHBondContact O-N 3.34Å; L2-A6 PolarHBondContact O-N 3.19Å |
| 3 | L | 80.1 | Confident | 85.9 | Confident | 145 Ų | 145 | 96.3 Ų | 96.3 | 76% | 0.759 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.3 | -37.8 | 177.4 | -178.3 | 65.7 | 0 | 0 | 0 | 112.9 | M1 A6 L7 | M1-L3 PolarHBondContact O-N 3.21Å; L3-A6 PolarHBondContact O-N 2.9Å; L3-L7 VanDerWaalsContact O-CB 3.31Å; L3-L7 WeakPolarHBondContact O-CB 3.49Å; L3-L7 PolarHBondContact O-N 3.25Å |
| 4 | F | 82.8 | Confident | 86.4 | Confident | 59 Ų | 59 | 91.2 Ų | 91.2 | 26% | 0.259 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.2 | -40.9 | 177.5 | 174.4 | -97.6 | 0 | 0 | 0 | 111.3 | M1 L2 G8 W454 Y457 T458 L461 | M1-F4 WeakPolarHBondContact O-CB 3.35Å; M1-F4 PolarHBondContact O-N 3.05Å; L2-F4 VanDerWaalsContact C-N 3.3Å; L2-F4 PolarHBondContact O-N 3.08Å; F4-G8 PolarHBondContact O-N 2.95Å; F4-W454 HydrophobicContact CD2-CH2 4.19Å; F4-W454 AromaticContact CE2-CH2 3.69Å; F4-W454 HydrophobicContact CE2-CH2 3.69Å; F4-W454 HydrophobicContact CE2-CZ2 4.18Å; F4-W454 HydrophobicContact CE2-CZ3 4.42Å; F4-W454 HydrophobicContact CZ-CH2 4.14Å; F4-W454 HydrophobicContact CZ-CZ2 4.15Å; F4-Y457 HydrophobicContact CD2-CE1 4.44Å; F4-Y457 HydrophobicContact CE2-CD1 4.3Å; F4-Y457 AromaticContact CE2-CE1 3.99Å; F4-Y457 HydrophobicContact CE2-CE1 3.99Å; F4-T458 HydrophobicContact CE2-CG2 4.34Å; F4-T458 HydrophobicContact CZ-CG2 3.69Å; F4-L461 HydrophobicContact CD2-CD1 3.96Å; F4-L461 HydrophobicContact CE2-CD1 3.39Å; F4-L461 HydrophobicContact CZ-CD1 3.96Å |
| 5 | F | 82.4 | Confident | 86.8 | Confident | 134 Ų | 134 | 85.5 Ų | 85.5 | 59% | 0.588 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.9 | -45 | 173.7 | -74.7 | -69.2 | 0 | 0 | 0 | 111.9 | M1 L2 G8 L9 | M1-F5 HydrophobicContact CB-CE2 4.37Å; M1-F5 WeakPolarHBondContact O-CD2 3.32Å; M1-F5 PolarHBondContact O-N 3.09Å; M1-F5 VanDerWaalsContact O-N 3.07Å; M1-F5 HydrophobicContact SD-CE2 3.94Å; L2-F5 PolarHBondContact O-N 3.34Å; F5-G8 PolarHBondContact O-N 3.33Å; F5-L9 WeakPolarHBondContact O-CB 3.45Å; F5-L9 PolarHBondContact O-N 3.43Å |
| 6 | A | 87.3 | Confident | 87.1 | Confident | 60 Ų | 60 | 87.9 Ų | 87.9 | 50% | 0.496 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | L2 L3 L9 L10 | L2-A6 PolarHBondContact O-N 3.19Å; L3-A6 PolarHBondContact O-N 2.9Å; A6-L9 WeakPolarHBondContact O-CB 3.27Å; A6-L9 PolarHBondContact O-N 3.34Å; A6-L10 PolarHBondContact O-N 3.11Å |
| 7 | L | 88.1 | Confident | 87.2 | Confident | 82 Ų | 82 | 85 Ų | 85 | 43% | 0.429 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 175.4 | -176.4 | 66.1 | 0 | 0 | 0 | 111.5 | L3 L9 L10 I11 | L3-L7 VanDerWaalsContact O-CB 3.31Å; L3-L7 WeakPolarHBondContact O-CB 3.49Å; L3-L7 PolarHBondContact O-N 3.25Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 3.1Å; L7-I11 HydrophobicContact CD1-CD1 4.38Å; L7-I11 HydrophobicContact CG-CD1 4Å; L7-I11 VanDerWaalsContact O-CG1 3.3Å; L7-I11 WeakPolarHBondContact O-CG1 3.39Å; L7-I11 PolarHBondContact O-N 3.11Å |
| 8 | G | 90.4 | Very high | 87.4 | Confident | 8 Ų | 8 | 80.4 Ų | 80.4 | 8% | 0.082 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F4 F5 I11 H12 | F4-G8 PolarHBondContact O-N 2.95Å; F5-G8 PolarHBondContact O-N 3.33Å; G8-I11 PolarHBondContact O-N 3.17Å; G8-H12 PolarHBondContact O-N 3.42Å; G8-H12 VanDerWaalsContact O-N 3.08Å; G8-H12 PolarHBondContact O-ND1 3.44Å |
| 9 | L | 91.3 | Very high | 87.5 | Confident | 109 Ų | 109 | 80.1 Ų | 80.1 | 57% | 0.571 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -59 | -48.1 | 175.5 | -167.7 | 90.9 | 0 | 0 | 0 | 111.3 | F5 A6 L7 I11 H12 F13 | F5-L9 WeakPolarHBondContact O-CB 3.45Å; F5-L9 PolarHBondContact O-N 3.43Å; A6-L9 WeakPolarHBondContact O-CB 3.27Å; A6-L9 PolarHBondContact O-N 3.34Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L9 PolarHBondContact O-N 3.12Å; L9-I11 PolarHBondContact O-N 3Å; L9-H12 PolarHBondContact O-N 2.97Å; L9-F13 HydrophobicContact CD1-CE2 4.38Å; L9-F13 HydrophobicContact CD2-CD2 4.26Å; L9-F13 HydrophobicContact CD2-CE2 3.53Å; L9-F13 HydrophobicContact CD2-CZ 4.41Å; L9-F13 HydrophobicContact CG-CD2 4.02Å; L9-F13 HydrophobicContact CG-CE2 3.57Å; L9-F13 HydrophobicContact CG-CZ 4.42Å; L9-F13 VanDerWaalsContact O-CD2 3.26Å; L9-F13 WeakPolarHBondContact O-CD2 3.09Å; L9-F13 PolarHBondContact O-N 2.96Å |
| 10 | L | 92.1 | Very high | 87.4 | Confident | 105 Ų | 105 | 79.5 Ų | 79.5 | 55% | 0.55 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.8 | -44.9 | 178.5 | -177.7 | 67 | 0 | 0 | 0 | 112.1 | A6 L7 H12 F13 V14 | A6-L10 PolarHBondContact O-N 3.11Å; L7-L10 PolarHBondContact O-N 3.1Å; L10-H12 VanDerWaalsContact C-N 3.33Å; L10-H12 PolarHBondContact O-N 3.41Å; L10-F13 WeakPolarHBondContact O-CB 3.35Å; L10-F13 PolarHBondContact O-N 3.46Å; L10-V14 PolarHBondContact O-N 3.23Å |
| 11 | I | 93.1 | Very high | 87.3 | Confident | 7 Ų | 7 | 78.3 Ų | 78.3 | 4% | 0.036 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 178.1 | -71.9 | 170.8 | 0 | 0 | 0 | 111 | L7 G8 L9 F13 V14 F15 W454 L514 I518 | L7-I11 HydrophobicContact CD1-CD1 4.38Å; L7-I11 HydrophobicContact CG-CD1 4Å; L7-I11 VanDerWaalsContact O-CG1 3.3Å; L7-I11 WeakPolarHBondContact O-CG1 3.39Å; L7-I11 PolarHBondContact O-N 3.11Å; G8-I11 PolarHBondContact O-N 3.17Å; L9-I11 PolarHBondContact O-N 3Å; I11-F13 VanDerWaalsContact C-N 3.33Å; I11-F13 PolarHBondContact O-N 2.98Å; I11-V14 WeakPolarHBondContact O-CB 3.4Å; I11-V14 PolarHBondContact O-N 3.15Å; I11-F15 HydrophobicContact CG2-CD2 3.92Å; I11-F15 HydrophobicContact CG2-CE1 4.36Å; I11-F15 HydrophobicContact CG2-CE2 3.3Å; I11-F15 HydrophobicContact CG2-CZ 3.54Å; I11-F15 WeakPolarHBondContact O-CD2 3.43Å; I11-F15 WeakPolarHBondContact O-CG 3.31Å; I11-F15 PolarHBondContact O-N 3.42Å; I11-W454 HydrophobicContact CD1-CD2 3.96Å; I11-W454 HydrophobicContact CD1-CE3 3.35Å; I11-W454 HydrophobicContact CD1-CH2 3.98Å; I11-W454 HydrophobicContact CD1-CZ3 3.35Å; I11-W454 HydrophobicContact CG2-CD2 4.27Å; I11-W454 HydrophobicContact CG2-CG 4.2Å; I11-L514 HydrophobicContact CG1-CD1 4.22Å; I11-L514 HydrophobicContact CG2-CD2 4.44Å; I11-I518 HydrophobicContact CD1-CD1 4.16Å; I11-I518 HydrophobicContact CD1-CG1 4.49Å; I11-I518 HydrophobicContact CG2-CD1 4.5Å |
| 12 | H | 93 | Very high | 88.3 | Confident | 95 Ų | 95 | 70.6 Ų | 70.6 | 44% | 0.44 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.8 | -31.6 | 177.2 | -71.7 | 83 | 0 | 0 | 0 | 112.5 | G8 L9 L10 V14 F15 F16 W454 | G8-H12 PolarHBondContact O-N 3.42Å; G8-H12 VanDerWaalsContact O-N 3.08Å; G8-H12 PolarHBondContact O-ND1 3.44Å; L9-H12 PolarHBondContact O-N 2.97Å; L10-H12 VanDerWaalsContact C-N 3.33Å; L10-H12 PolarHBondContact O-N 3.41Å; H12-V14 VanDerWaalsContact C-N 3.35Å; H12-F15 PolarHBondContact O-N 3.07Å; H12-F16 WeakPolarHBondContact O-CB 3.44Å; H12-F16 PolarHBondContact O-N 2.87Å; H12-W454 AromaticContact CE1-CD1 3.76Å; H12-W454 AromaticContact CE1-NE1 3.33Å; H12-W454 PolarHBondContact CE1-NE1 3.45Å; H12-W454 VanDerWaalsContact CE1-NE1 3.33Å |
| 13 | F | 93.2 | Very high | 88.7 | Confident | 122 Ų | 122 | 68.9 Ų | 68.9 | 54% | 0.535 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 169.9 | -79.3 | -58.1 | 0 | 0 | 0 | 112.1 | L9 L10 I11 F16 A17 | L9-F13 HydrophobicContact CD1-CE2 4.38Å; L9-F13 HydrophobicContact CD2-CD2 4.26Å; L9-F13 HydrophobicContact CD2-CE2 3.53Å; L9-F13 HydrophobicContact CD2-CZ 4.41Å; L9-F13 HydrophobicContact CG-CD2 4.02Å; L9-F13 HydrophobicContact CG-CE2 3.57Å; L9-F13 HydrophobicContact CG-CZ 4.42Å; L9-F13 VanDerWaalsContact O-CD2 3.26Å; L9-F13 WeakPolarHBondContact O-CD2 3.09Å; L9-F13 PolarHBondContact O-N 2.96Å; L10-F13 WeakPolarHBondContact O-CB 3.35Å; L10-F13 PolarHBondContact O-N 3.46Å; I11-F13 VanDerWaalsContact C-N 3.33Å; I11-F13 PolarHBondContact O-N 2.98Å; F13-F16 PolarHBondContact O-N 3.26Å; F13-A17 WeakPolarHBondContact O-CB 3.34Å; F13-A17 PolarHBondContact O-N 2.85Å |
| 14 | V | 93 | Very high | 88.7 | Confident | 25 Ų | 25 | 65 Ų | 65 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 174.5 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | L10 I11 H12 F16 A17 S18 V510 Y511 L514 | L10-V14 PolarHBondContact O-N 3.23Å; I11-V14 WeakPolarHBondContact O-CB 3.4Å; I11-V14 PolarHBondContact O-N 3.15Å; H12-V14 VanDerWaalsContact C-N 3.35Å; V14-F16 VanDerWaalsContact C-N 3.34Å; V14-F16 PolarHBondContact O-N 2.93Å; V14-A17 PolarHBondContact O-N 3.42Å; V14-S18 PolarHBondContact O-N 3.21Å; V14-V510 HydrophobicContact CG1-CG1 3.68Å; V14-V510 HydrophobicContact CG2-CG1 4.11Å; V14-Y511 HydrophobicContact CG1-CD1 3.78Å; V14-Y511 HydrophobicContact CG1-CE1 3.92Å; V14-L514 HydrophobicContact CB-CD2 4.11Å; V14-L514 HydrophobicContact CG1-CD2 3.73Å |
| 15 | F | 93.2 | Very high | 88.3 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 176.2 | -66.1 | -29.8 | 0 | 0 | 0 | 112.6 | I11 H12 S18 V447 G450 F451 W454 L514 | I11-F15 HydrophobicContact CG2-CD2 3.92Å; I11-F15 HydrophobicContact CG2-CE1 4.36Å; I11-F15 HydrophobicContact CG2-CE2 3.3Å; I11-F15 HydrophobicContact CG2-CZ 3.54Å; I11-F15 WeakPolarHBondContact O-CD2 3.43Å; I11-F15 WeakPolarHBondContact O-CG 3.31Å; I11-F15 PolarHBondContact O-N 3.42Å; H12-F15 PolarHBondContact O-N 3.07Å; F15-S18 PolarHBondContact O-N 2.97Å; F15-S18 PolarHBondContact O-OG 3.45Å; F15-V447 HydrophobicContact CD1-CG1 4.03Å; F15-G450 VanDerWaalsContact CZ-C 3.48Å; F15-F451 HydrophobicContact CB-CD2 4.37Å; F15-F451 HydrophobicContact CB-CE1 4.26Å; F15-F451 HydrophobicContact CB-CE2 3.44Å; F15-F451 VanDerWaalsContact CB-CE2 3.44Å; F15-F451 HydrophobicContact CB-CZ 3.38Å; F15-F451 AromaticContact CD1-CD2 3.93Å; F15-F451 HydrophobicContact CD1-CD2 3.93Å; F15-F451 AromaticContact CD1-CE2 3.84Å; F15-F451 HydrophobicContact CD1-CE2 3.84Å; F15-F451 HydrophobicContact CD1-CZ 4.35Å; F15-F451 AromaticContact CD2-CD1 3.63Å; F15-F451 HydrophobicContact CD2-CD1 3.63Å; F15-F451 AromaticContact CD2-CD2 3.92Å; F15-F451 HydrophobicContact CD2-CD2 3.92Å; F15-F451 AromaticContact CD2-CE1 3.29Å; F15-F451 HydrophobicContact CD2-CE1 3.29Å; F15-F451 AromaticContact CD2-CE2 3.62Å; F15-F451 HydrophobicContact CD2-CE2 3.62Å; F15-F451 AromaticContact CD2-CG 3.94Å; F15-F451 HydrophobicContact CD2-CG 3.94Å; F15-F451 AromaticContact CD2-CZ 3.3Å; F15-F451 HydrophobicContact CD2-CZ 3.3Å; F15-F451 HydrophobicContact CE1-CD2 4.15Å; F15-F451 HydrophobicContact CE1-CE2 4.49Å; F15-F451 HydrophobicContact CE1-CG 4.4Å; F15-F451 HydrophobicContact CE2-CB 4.49Å; F15-F451 AromaticContact CE2-CD1 3.58Å; F15-F451 HydrophobicContact CE2-CD1 3.58Å; F15-F451 HydrophobicContact CE2-CD2 4.12Å; F15-F451 AromaticContact CE2-CE1 3.75Å; F15-F451 HydrophobicContact CE2-CE1 3.75Å; F15-F451 HydrophobicContact CE2-CE2 4.28Å; F15-F451 AromaticContact CE2-CG 3.78Å; F15-F451 HydrophobicContact CE2-CG 3.78Å; F15-F451 HydrophobicContact CE2-CZ 4.12Å; F15-F451 HydrophobicContact CG-CD1 4.36Å; F15-F451 AromaticContact CG-CD2 3.82Å; F15-F451 HydrophobicContact CG-CD2 3.82Å; F15-F451 AromaticContact CG-CE1 3.95Å; F15-F451 HydrophobicContact CG-CE1 3.95Å; F15-F451 AromaticContact CG-CE2 3.36Å; F15-F451 HydrophobicContact CG-CE2 3.36Å; F15-F451 HydrophobicContact CG-CG 4.31Å; F15-F451 AromaticContact CG-CZ 3.44Å; F15-F451 HydrophobicContact CG-CZ 3.44Å; F15-F451 VanDerWaalsContact CG-CZ 3.44Å; F15-F451 HydrophobicContact CZ-CB 4.43Å; F15-F451 HydrophobicContact CZ-CD1 4.3Å; F15-F451 HydrophobicContact CZ-CD2 4.25Å; F15-F451 HydrophobicContact CZ-CG 4.05Å; F15-W454 HydrophobicContact CE2-CB 4.44Å; F15-L514 HydrophobicContact CD1-CD2 4.38Å; F15-L514 HydrophobicContact CE1-CD2 3.8Å; F15-L514 HydrophobicContact CZ-CD2 4.32Å |
| 16 | F | 90.7 | Very high | 88.1 | Confident | 123 Ų | 123 | 60.8 Ų | 60.8 | 54% | 0.539 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 174.7 | 178.6 | -103.9 | 0 | 0 | 0 | 111.5 | H12 F13 V14 S18 I19 F20 | H12-F16 WeakPolarHBondContact O-CB 3.44Å; H12-F16 PolarHBondContact O-N 2.87Å; F13-F16 PolarHBondContact O-N 3.26Å; V14-F16 VanDerWaalsContact C-N 3.34Å; V14-F16 PolarHBondContact O-N 2.93Å; F16-S18 VanDerWaalsContact C-N 3.27Å; F16-S18 PolarHBondContact O-N 3.06Å; F16-I19 WeakPolarHBondContact O-CB 3.43Å; F16-I19 PolarHBondContact O-N 3.11Å; F16-F20 HydrophobicContact CD1-CE2 4.36Å; F16-F20 AromaticContact CE1-CE2 3.79Å; F16-F20 HydrophobicContact CE1-CE2 3.79Å; F16-F20 HydrophobicContact CE1-CZ 4.46Å; F16-F20 AromaticContact CZ-CE2 3.87Å; F16-F20 HydrophobicContact CZ-CE2 3.87Å; F16-F20 HydrophobicContact CZ-CZ 4.22Å |
| 17 | A | 89.4 | Confident | 87.8 | Confident | 39 Ų | 39 | 59.8 Ų | 59.8 | 32% | 0.322 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.1 | -36.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F13 V14 I19 F20 | F13-A17 WeakPolarHBondContact O-CB 3.34Å; F13-A17 PolarHBondContact O-N 2.85Å; V14-A17 PolarHBondContact O-N 3.42Å; A17-I19 PolarHBondContact O-N 3.13Å; A17-F20 PolarHBondContact O-N 2.72Å; A17-F20 VanDerWaalsContact O-N 3.08Å |
| 18 | S | 91.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.014 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -24.7 | -179.6 | 76.6 | 0 | 0 | 0 | 0 | 114.1 | V14 F15 F16 F20 D21 I22 | V14-S18 PolarHBondContact O-N 3.21Å; F15-S18 PolarHBondContact O-N 2.97Å; F15-S18 PolarHBondContact O-OG 3.45Å; F16-S18 VanDerWaalsContact C-N 3.27Å; F16-S18 PolarHBondContact O-N 3.06Å; S18-F20 PolarHBondContact O-N 3.05Å; S18-D21 PolarHBondContact O-N 3.03Å; S18-I22 VanDerWaalsContact O-CB 3.29Å; S18-I22 WeakPolarHBondContact O-CB 3.2Å; S18-I22 WeakPolarHBondContact O-CD1 3.45Å; S18-I22 WeakPolarHBondContact O-CG1 3.36Å; S18-I22 PolarHBondContact O-N 3.32Å |
| 19 | I | 89.3 | Confident | 87.7 | Confident | 74 Ų | 74 | 56.2 Ų | 56.2 | 38% | 0.379 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 176 | -62.8 | 172.3 | 0 | 0 | 0 | 110.1 | F16 A17 I22 Y23 F24 | F16-I19 WeakPolarHBondContact O-CB 3.43Å; F16-I19 PolarHBondContact O-N 3.11Å; A17-I19 PolarHBondContact O-N 3.13Å; I19-I22 PolarHBondContact O-N 3.49Å; I19-Y23 HydrophobicContact CB-CD2 4.48Å; I19-Y23 HydrophobicContact CG2-CD2 3.91Å; I19-Y23 WeakPolarHBondContact O-CB 3.49Å; I19-Y23 WeakPolarHBondContact O-CD2 3.4Å; I19-Y23 PolarHBondContact O-N 2.91Å; I19-F24 HydrophobicContact CG2-CE2 4.34Å |
| 20 | F | 84.3 | Confident | 87.6 | Confident | 69 Ų | 69 | 55.9 Ų | 55.9 | 30% | 0.303 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.2 | -48.5 | 179.9 | -64.1 | -84 | 0 | 0 | 0 | 112.1 | F16 A17 S18 I22 F24 | F16-F20 HydrophobicContact CD1-CE2 4.36Å; F16-F20 AromaticContact CE1-CE2 3.79Å; F16-F20 HydrophobicContact CE1-CE2 3.79Å; F16-F20 HydrophobicContact CE1-CZ 4.46Å; F16-F20 AromaticContact CZ-CE2 3.87Å; F16-F20 HydrophobicContact CZ-CE2 3.87Å; F16-F20 HydrophobicContact CZ-CZ 4.22Å; A17-F20 PolarHBondContact O-N 2.72Å; A17-F20 VanDerWaalsContact O-N 3.08Å; S18-F20 PolarHBondContact O-N 3.05Å; F20-I22 VanDerWaalsContact C-N 3.29Å; F20-I22 PolarHBondContact O-N 3.02Å; F20-F24 AromaticContact CD1-CD2 3.7Å; F20-F24 HydrophobicContact CD1-CD2 3.7Å; F20-F24 HydrophobicContact CD1-CE2 4.37Å; F20-F24 HydrophobicContact CD1-CG 4.5Å; F20-F24 HydrophobicContact CE1-CD2 4.24Å; F20-F24 HydrophobicContact CG-CD2 4.37Å; F20-F24 CarbonylContact O-C 3.48Å; F20-F24 VanDerWaalsContact O-CA 3.3Å; F20-F24 WeakPolarHBondContact O-CA 3.35Å; F20-F24 VanDerWaalsContact O-CB 3.31Å; F20-F24 WeakPolarHBondContact O-CB 3.39Å; F20-F24 PolarHBondContact O-N 3.48Å; F20-F24 VanDerWaalsContact O-O 3.05Å |
| 21 | D | 84.6 | Confident | 87.3 | Confident | 54 Ų | 54 | 54.3 Ų | 54.3 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.9 | -25.9 | -179.9 | -76.4 | 7.5 | 0 | 0 | 0 | 113.7 | S18 T507 Y511 | S18-D21 PolarHBondContact O-N 3.03Å; D21-T507 WeakPolarHBondContact OD2-CB 3.35Å; D21-T507 VanDerWaalsContact OD2-CG2 3.31Å; D21-T507 WeakPolarHBondContact OD2-CG2 3.48Å; D21-T507 PolarHBondContact OD2-OG1 3.48Å; D21-Y511 HydrophobicContact CB-CE2 3.86Å; D21-Y511 WeakPolarHBondContact OD2-CE2 3.3Å; D21-Y511 PolarHBondContact OD2-OH 3.12Å |
| 22 | I | 88.2 | Confident | 87.2 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -83.3 | -39.8 | -179 | -68.5 | 173.1 | 0 | 0 | 0 | 112.1 | S18 I19 F20 R440 L443 V447 | S18-I22 VanDerWaalsContact O-CB 3.29Å; S18-I22 WeakPolarHBondContact O-CB 3.2Å; S18-I22 WeakPolarHBondContact O-CD1 3.45Å; S18-I22 WeakPolarHBondContact O-CG1 3.36Å; S18-I22 PolarHBondContact O-N 3.32Å; I19-I22 PolarHBondContact O-N 3.49Å; F20-I22 VanDerWaalsContact C-N 3.29Å; F20-I22 PolarHBondContact O-N 3.02Å; I22-R440 HydrophobicContact CG2-CG 3.68Å; I22-L443 HydrophobicContact CD1-CB 3.89Å; I22-L443 HydrophobicContact CG1-CB 3.58Å; I22-L443 HydrophobicContact CG1-CD1 3.85Å; I22-L443 HydrophobicContact CG1-CG 4.41Å; I22-V447 HydrophobicContact CD1-CB 4.36Å; I22-V447 HydrophobicContact CD1-CG2 3.9Å |
| 23 | Y | 85.2 | Confident | 87 | Confident | 119 Ų | 119 | 54.5 Ų | 54.5 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -114 | -19.4 | -168.9 | -61.9 | -81.1 | 0 | 0 | 0 | 114 | I19 R440 | I19-Y23 HydrophobicContact CB-CD2 4.48Å; I19-Y23 HydrophobicContact CG2-CD2 3.91Å; I19-Y23 WeakPolarHBondContact O-CB 3.49Å; I19-Y23 WeakPolarHBondContact O-CD2 3.4Å; I19-Y23 PolarHBondContact O-N 2.91Å; Y23-R440 VanDerWaalsContact CE1-CZ 3.44Å |
| 24 | F | 79.8 | Confident | 86.9 | Confident | 62 Ų | 62 | 51.1 Ų | 51.1 | 27% | 0.272 | 29% | 0.287 | S | S | . | . | trans | -122.1 | 80.5 | -172.3 | -64.5 | -57.2 | 0 | 0 | 0 | 110 | I19 F20 D108 V109 | I19-F24 HydrophobicContact CG2-CE2 4.34Å; F20-F24 AromaticContact CD1-CD2 3.7Å; F20-F24 HydrophobicContact CD1-CD2 3.7Å; F20-F24 HydrophobicContact CD1-CE2 4.37Å; F20-F24 HydrophobicContact CD1-CG 4.5Å; F20-F24 HydrophobicContact CE1-CD2 4.24Å; F20-F24 HydrophobicContact CG-CD2 4.37Å; F20-F24 CarbonylContact O-C 3.48Å; F20-F24 VanDerWaalsContact O-CA 3.3Å; F20-F24 WeakPolarHBondContact O-CA 3.35Å; F20-F24 VanDerWaalsContact O-CB 3.31Å; F20-F24 WeakPolarHBondContact O-CB 3.39Å; F20-F24 PolarHBondContact O-N 3.48Å; F20-F24 VanDerWaalsContact O-O 3.05Å; F24-D108 VanDerWaalsContact CA-OD1 3.23Å; F24-D108 WeakPolarHBondContact CA-OD1 3.47Å; F24-D108 WeakPolarHBondContact CB-OD1 3.5Å; F24-V109 HydrophobicContact CD1-CB 3.79Å; F24-V109 HydrophobicContact CD1-CG2 4.06Å; F24-V109 HydrophobicContact CE1-CB 3.76Å; F24-V109 HydrophobicContact CE1-CG2 3.64Å; F24-V109 HydrophobicContact CG-CB 4.34Å; F24-V109 HydrophobicContact CZ-CB 4.3Å; F24-V109 HydrophobicContact CZ-CG2 4.29Å | ||
| 25 | T | 74.6 | Confident | 86.9 | Confident | 50 Ų | 50 | 52.7 Ų | 52.7 | 31% | 0.307 | 29% | 0.292 | S | S | . | . | trans | -103.4 | 142.2 | 179.7 | 59.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 26 | S | 78.8 | Confident | 86.6 | Confident | 55 Ų | 55 | 58.2 Ų | 58.2 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | trans | -53 | 131.1 | 175.4 | -177.6 | 0 | 0 | 0 | 0 | 111.4 | L28 H436 | S26-L28 PolarHBondContact O-N 3.17Å; S26-L28 PolarHBondContact OG-N 3.06Å; S26-H436 PolarHBondContact O-CE1 3.22Å; S26-H436 PolarHBondContact O-ND1 3.07Å | ||
| 27 | P | 80.1 | Confident | 86.7 | Confident | 40 Ų | 40 | 53 Ų | 53 | 26% | 0.26 | 29% | 0.294 | S | S | . | . | trans | -75.8 | -13.5 | 174.4 | 32.6 | -35.8 | 0 | 0 | 0 | 112.3 | F105 H436 | P27-F105 HydrophobicContact CG-CD2 3.93Å; P27-F105 HydrophobicContact CG-CE2 4.2Å; P27-H436 PolarHBondContact O-CE1 3.48Å; P27-H436 VanDerWaalsContact O-CE1 3.3Å | ||
| 28 | L | 87.4 | Confident | 86.8 | Confident | 14 Ų | 14 | 55 Ų | 55 | 7% | 0.073 | 31% | 0.305 | C | S | . | . | trans | -74.9 | 132 | -174.1 | -61.2 | 176.4 | 0 | 0 | 0 | 112.2 | S26 F105 V121 F123 N339 | S26-L28 PolarHBondContact O-N 3.17Å; S26-L28 PolarHBondContact OG-N 3.06Å; L28-F105 HydrophobicContact CD2-CD1 4.31Å; L28-F105 HydrophobicContact CD2-CD2 4.22Å; L28-F105 HydrophobicContact CD2-CE1 3.87Å; L28-F105 HydrophobicContact CD2-CE2 3.78Å; L28-F105 HydrophobicContact CD2-CG 4.48Å; L28-F105 HydrophobicContact CD2-CZ 3.59Å; L28-F105 HydrophobicContact CG-CE2 4.42Å; L28-F105 HydrophobicContact CG-CZ 4.47Å; L28-V121 HydrophobicContact CD1-CB 3.93Å; L28-V121 HydrophobicContact CD1-CG1 3.56Å; L28-F123 HydrophobicContact CD1-CB 4.12Å; L28-F123 HydrophobicContact CD2-CB 3.95Å; L28-N339 HydrophobicContact CD2-CB 3.83Å | ||
| 29 | V | 88.8 | Confident | 87 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | trans | -111.5 | 143.4 | 167.9 | -173.5 | 0 | 0 | 0 | 0 | 107.4 | M32 N339 V373 K374 L432 | V29-M32 HydrophobicContact CB-CE 3.83Å; V29-M32 HydrophobicContact CB-SD 4.45Å; V29-M32 HydrophobicContact CG1-CE 4.18Å; V29-M32 HydrophobicContact CG1-SD 4.47Å; V29-M32 WeakPolarHBondContact O-CE 3.29Å; V29-N339 PolarHBondContact N-OD1 2.87Å; V29-N339 PolarHBondContact O-ND2 3.43Å; V29-N339 VanDerWaalsContact O-ND2 3.14Å; V29-N339 PolarHBondContact O-OD1 3.45Å; V29-N339 VanDerWaalsContact O-OD1 3.07Å; V29-V373 HydrophobicContact CG1-CB 3.88Å; V29-V373 HydrophobicContact CG1-CG1 3.51Å; V29-K374 HydrophobicContact CG1-CB 4.45Å; V29-K374 HydrophobicContact CG2-CB 4.19Å; V29-K374 HydrophobicContact CG2-CD 4.24Å; V29-L432 HydrophobicContact CG2-CD1 4.13Å | ||
| 30 | H | 88.8 | Confident | 87.3 | Confident | 102 Ų | 102 | 58.9 Ų | 58.9 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | trans | -125.2 | 153.3 | 178.5 | -57.9 | -71.8 | 0 | 0 | 0 | 110.3 | V373 Q377 | H30-V373 WeakPolarHBondContact O-CG1 3.22Å; H30-Q377 PolarHBondContact O-NE2 3.35Å | ||
| 31 | G | 86.5 | Confident | 87.9 | Confident | 71 Ų | 71 | 57.4 Ų | 57.4 | 73% | 0.732 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 95.8 | 14.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 32 | M | 91.4 | Very high | 88.5 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 7% | 0.074 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 158.9 | 173.5 | -64.9 | 164.6 | -78 | 0 | 0 | 111.8 | V29 L338 E369 Q370 V373 | V29-M32 HydrophobicContact CB-CE 3.83Å; V29-M32 HydrophobicContact CB-SD 4.45Å; V29-M32 HydrophobicContact CG1-CE 4.18Å; V29-M32 HydrophobicContact CG1-SD 4.47Å; V29-M32 WeakPolarHBondContact O-CE 3.29Å; M32-L338 HydrophobicContact CB-CD2 4.02Å; M32-L338 HydrophobicContact CE-CB 4.03Å; M32-E369 HydrophobicContact CG-CB 4.4Å; M32-Q370 HydrophobicContact CE-CG 4.03Å; M32-Q370 WeakPolarHBondContact SD-CA 3.45Å; M32-Q370 HydrophobicContact SD-CB 3.81Å; M32-Q370 HydrophobicContact SD-CG 3.13Å; M32-Q370 WeakPolarHBondContact SD-CG 3.22Å; M32-V373 HydrophobicContact CG-CB 4.26Å; M32-V373 HydrophobicContact CG-CG2 3.79Å |
| 33 | T | 88.7 | Confident | 89 | Confident | 91 Ų | 91 | 55.2 Ų | 55.2 | 56% | 0.558 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -101 | 127.3 | 173.7 | -56.9 | 0 | 0 | 0 | 0 | 110.1 | Q35 | T33-Q35 PolarHBondContact O-NE2 3.39Š|
| 34 | P | 90.9 | Very high | 89.6 | Confident | 52 Ų | 52 | 52.9 Ų | 52.9 | 34% | 0.338 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -59.4 | 137.8 | 177.9 | -20.5 | 29.3 | 0 | 0 | 0 | 112.7 | P335 L338 | P34-P335 HydrophobicContact CB-CB 3.72Å; P34-P335 HydrophobicContact CB-CG 4.13Å; P34-L338 HydrophobicContact CB-CD2 4.14Å; P34-L338 HydrophobicContact CG-CD2 3.84Å; P34-L338 HydrophobicContact CG-CG 4.48Å |
| 35 | Q | 91.4 | Very high | 90.5 | Very high | 57 Ų | 57 | 50.1 Ų | 50.1 | 27% | 0.266 | 30% | 0.298 | S | S | . | . | trans | -112 | 134.3 | 177.9 | -57.6 | -63 | -37.7 | 0 | 0 | 111 | T33 P335 F336 T362 V365 Q366 | T33-Q35 PolarHBondContact O-NE2 3.39Å; Q35-P335 VanDerWaalsContact O-CA 3.23Å; Q35-P335 WeakPolarHBondContact O-CA 3.41Å; Q35-F336 PolarHBondContact O-N 3.01Å; Q35-T362 HydrophobicContact CB-CG2 3.69Å; Q35-V365 HydrophobicContact CG-CG1 3.95Å; Q35-Q366 HydrophobicContact CB-CB 4.4Å; Q35-Q366 HydrophobicContact CG-CB 4.45Å | ||
| 36 | F | 88.4 | Confident | 91.6 | Very high | 123 Ų | 123 | 47.8 Ų | 47.8 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | trans | -126.5 | 149.5 | 177.3 | 69.6 | -84.8 | 0 | 0 | 0 | 111.9 | P335 | F36-P335 HydrophobicContact CB-CG 4.15Š| ||
| 37 | T | 92.7 | Very high | 92.6 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | trans | -72.7 | 124.9 | 175.8 | -56.5 | 0 | 0 | 0 | 0 | 110 | L39 E358 S359 | T37-L39 HydrophobicContact CG2-CB 4.1Å; T37-L39 HydrophobicContact CG2-CD1 4.43Å; T37-L39 HydrophobicContact CG2-CG 4.37Å; T37-L39 PolarHBondContact O-N 3.13Å; T37-E358 HydrophobicContact CG2-CB 4.03Å; T37-S359 WeakPolarHBondContact CG2-OG 3.32Å; T37-S359 WeakPolarHBondContact OG1-CA 3.42Å; T37-S359 PolarHBondContact OG1-OG 3.41Å | ||
| 38 | P | 91.6 | Very high | 93.5 | Very high | 83 Ų | 83 | 43.2 Ų | 43.2 | 54% | 0.539 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -81.3 | 40.2 | -177 | 35.7 | -37.8 | 0 | 0 | 0 | 112.6 | ||
| 39 | L | 95.7 | Very high | 94 | Very high | 50 Ų | 50 | 42.6 Ų | 42.6 | 26% | 0.262 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -134.2 | 150.6 | -180 | -66.7 | 174.6 | 0 | 0 | 0 | 110.4 | T37 L354 F355 E358 | T37-L39 HydrophobicContact CG2-CB 4.1Å; T37-L39 HydrophobicContact CG2-CD1 4.43Å; T37-L39 HydrophobicContact CG2-CG 4.37Å; T37-L39 PolarHBondContact O-N 3.13Å; L39-L354 HydrophobicContact CD1-CG 4.19Å; L39-F355 HydrophobicContact CB-CD2 3.95Å; L39-F355 HydrophobicContact CB-CE2 4.37Å; L39-F355 HydrophobicContact CD1-CB 4.25Å; L39-F355 HydrophobicContact CD1-CD2 4.18Å; L39-E358 HydrophobicContact CD1-CB 3.82Å; L39-E358 HydrophobicContact CD1-CG 3.93Å |
| 40 | P | 95.9 | Very high | 94.5 | Very high | 107 Ų | 107 | 42.5 Ų | 42.5 | 70% | 0.695 | 25% | 0.249 | S | C | * | . | trans | -58.6 | 128.5 | 177.3 | -23.9 | 33.9 | 0 | 0 | 0 | 111.5 | F355 | P40-F355 WeakPolarHBondContact O-CE2 3.42Š| ||
| 41 | P | 96.6 | Very high | 95 | Very high | 37 Ų | 37 | 37.7 Ų | 37.7 | 24% | 0.24 | 23% | 0.227 | C | C | . | . | trans | -71.4 | 152.6 | 177.3 | 29.5 | -34.6 | 0 | 0 | 0 | 111.7 | L331 I332 | P41-L331 WeakPolarHBondContact CB-O 3.32Å; P41-I332 WeakPolarHBondContact CG-O 3.5Å | ||
| 42 | P | 97 | Very high | 95.5 | Very high | 18 Ų | 18 | 34.3 Ų | 34.3 | 12% | 0.117 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -70.7 | -30.1 | 179.4 | 27.9 | -35 | 0 | 0 | 0 | 113.4 | G289 L331 | P42-G289 VanDerWaalsContact CB-CA 3.49Å; P42-L331 VanDerWaalsContact CD-O 3.24Å; P42-L331 WeakPolarHBondContact CD-O 3.43Å; P42-L331 HydrophobicContact CG-CD2 3.98Å; P42-L331 WeakPolarHBondContact CG-O 3.29Å |
| 43 | A | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | trans | -114.5 | 150.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.6 | A256 A288 L331 I332 | A43-A256 HydrophobicContact CB-CB 3.96Å; A43-A288 HydrophobicContact CB-CB 3.76Å; A43-L331 WeakPolarHBondContact CA-O 3.43Å; A43-L331 VanDerWaalsContact CB-O 3.32Å; A43-L331 WeakPolarHBondContact CB-O 3.21Å; A43-L331 PolarHBondContact N-O 3.3Å; A43-I332 HydrophobicContact CB-CG2 4.29Å | ||
| 44 | K | 98.2 | Very high | 96.2 | Very high | 70 Ų | 70 | 29.3 Ų | 29.3 | 30% | 0.304 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -92.3 | -28.3 | 168.6 | -70 | -170.6 | 171.3 | -152.6 | 0 | 111.9 | E202 K203 V204 K254 | K44-E202 HydrophobicContact CD-CG 4.01Å; K44-E202 WeakPolarHBondContact CE-OE1 3.29Å; K44-E202 HydrophobicContact CG-CG 4.04Å; K44-E202 IonicContact NZ-OE1 3.37Å; K44-E202 PolarHBondContact NZ-OE1 3.13Å; K44-E202 VanDerWaalsContact NZ-OE1 3.08Å; K44-E202 CarbonylContact O-C 3.55Å; K44-K203 PolarHBondContact O-N 3.28Å; K44-V204 PolarHBondContact O-N 3.07Å; K44-V204 VanDerWaalsContact O-N 3.16Å; K44-K254 HydrophobicContact CB-CB 4.08Å; K44-K254 HydrophobicContact CD-CB 4.32Å; K44-K254 HydrophobicContact CD-CG 4.34Å; K44-K254 HydrophobicContact CG-CB 3.99Å; K44-K254 HydrophobicContact CG-CD 4.44Å; K44-K254 HydrophobicContact CG-CG 4.27Å; K44-K254 PolarHBondContact N-O 2.9Å |
| 45 | R | 98.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 145.8 | -173.5 | 69.2 | -158.8 | 101.9 | -128.9 | 12.1 | 111.6 | V199 V204 F206 Y249 D252 K254 T255 A256 | R45-V199 PolarHBondContact NH1-O 2.75Å; R45-V204 CarbonylContact C-O 3.59Å; R45-V204 VanDerWaalsContact CA-O 3.22Å; R45-V204 WeakPolarHBondContact CA-O 3.26Å; R45-V204 HydrophobicContact CB-CB 4.09Å; R45-V204 HydrophobicContact CB-CG1 4.44Å; R45-F206 HydrophobicContact CB-CE2 4.39Å; R45-Y249 VanDerWaalsContact CD-CE2 3.45Å; R45-Y249 VanDerWaalsContact NH1-CD1 3.3Å; R45-D252 IonicContact CZ-OD2 2.69Å; R45-D252 IonicContact NH2-OD2 3.37Å; R45-D252 PolarHBondContact NH2-OD2 3.48Å; R45-K254 PolarHBondContact N-O 3.41Å; R45-T255 VanDerWaalsContact CD-OG1 3.23Å; R45-T255 WeakPolarHBondContact CD-OG1 3.3Å; R45-T255 HydrophobicContact CG-CG2 3.87Å; R45-T255 VanDerWaalsContact CG-OG1 3.29Å; R45-T255 WeakPolarHBondContact CG-OG1 3.35Å; R45-T255 PolarHBondContact NE-OG1 3.04Å; R45-T255 WeakPolarHBondContact O-CA 3.32Å; R45-A256 PolarHBondContact O-N 3.42Å |
| 46 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.8 | 179.2 | 178.7 | 74.9 | 0 | 0 | 0 | 109.7 | L126 V204 V205 F206 A256 I258 M328 L331 I332 | L46-L126 HydrophobicContact CD2-CD2 3.75Å; L46-V204 PolarHBondContact N-O 3.21Å; L46-V205 CarbonylContact O-C 3.52Å; L46-V205 WeakPolarHBondContact O-CA 3.27Å; L46-F206 PolarHBondContact O-N 2.92Å; L46-A256 CarbonylContact C-O 3.58Å; L46-A256 WeakPolarHBondContact CA-O 3.43Å; L46-A256 HydrophobicContact CD1-CB 3.92Å; L46-I258 HydrophobicContact CD1-CD1 3.99Å; L46-I258 HydrophobicContact CD1-CG1 4.15Å; L46-M328 HydrophobicContact CD1-CG 4.47Å; L46-M328 HydrophobicContact CD2-CB 3.65Å; L46-M328 HydrophobicContact CD2-CG 3.52Å; L46-M328 HydrophobicContact CD2-SD 3.62Å; L46-L331 HydrophobicContact CD1-CD1 4.39Å; L46-I332 HydrophobicContact CB-CG2 3.78Å |
| 47 | V | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 115.6 | 171.4 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | F49 F206 L208 F245 T255 A256 F257 I258 | V47-F49 HydrophobicContact CB-CE2 4.32Å; V47-F49 HydrophobicContact CG1-CD2 4.2Å; V47-F49 HydrophobicContact CG1-CE1 4.24Å; V47-F49 HydrophobicContact CG1-CE2 3.56Å; V47-F49 HydrophobicContact CG1-CZ 3.57Å; V47-F206 CarbonylContact C-O 3.51Å; V47-F206 WeakPolarHBondContact CA-O 3.47Å; V47-F206 HydrophobicContact CG1-CB 4.3Å; V47-F206 HydrophobicContact CG2-CB 4.33Å; V47-F206 HydrophobicContact CG2-CD2 4.27Å; V47-L208 HydrophobicContact CG1-CD1 3.87Å; V47-F245 HydrophobicContact CG1-CE2 4.27Å; V47-F245 HydrophobicContact CG1-CZ 4.23Å; V47-F245 HydrophobicContact CG2-CD1 3.66Å; V47-F245 HydrophobicContact CG2-CD2 4.4Å; V47-F245 HydrophobicContact CG2-CE1 3.33Å; V47-F245 HydrophobicContact CG2-CE2 4.12Å; V47-F245 HydrophobicContact CG2-CG 4.2Å; V47-F245 HydrophobicContact CG2-CZ 3.58Å; V47-T255 HydrophobicContact CG2-CG2 3.87Å; V47-A256 PolarHBondContact N-O 3.47Å; V47-F257 HydrophobicContact CB-CD1 3.66Å; V47-F257 HydrophobicContact CB-CE1 4.04Å; V47-F257 HydrophobicContact CG1-CD1 4.25Å; V47-F257 HydrophobicContact CG2-CD1 3.92Å; V47-F257 HydrophobicContact CG2-CE1 3.78Å; V47-F257 WeakPolarHBondContact O-CA 3.33Å; V47-I258 PolarHBondContact O-N 3.07Å |
| 48 | L | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 115.9 | 179.2 | 176.2 | 63.5 | 0 | 0 | 0 | 109.4 | V50 I102 F206 F207 L208 I258 T260 M328 | L48-V50 HydrophobicContact CD1-CG2 4.06Å; L48-V50 HydrophobicContact CD2-CG2 4.22Å; L48-V50 HydrophobicContact CG-CG2 3.95Å; L48-I102 HydrophobicContact CD2-CD1 4.4Å; L48-I102 HydrophobicContact CD2-CG1 4.01Å; L48-F206 PolarHBondContact N-O 3.23Å; L48-F207 HydrophobicContact CB-CD2 4.27Å; L48-F207 HydrophobicContact CD2-CD2 3.8Å; L48-F207 HydrophobicContact CD2-CE2 4.17Å; L48-F207 HydrophobicContact CG-CD2 3.94Å; L48-F207 HydrophobicContact CG-CE2 4.39Å; L48-L208 PolarHBondContact O-N 3.22Å; L48-I258 HydrophobicContact CD1-CB 3.97Å; L48-I258 HydrophobicContact CD1-CG2 3.73Å; L48-T260 HydrophobicContact CD1-CG2 4.27Å; L48-M328 HydrophobicContact CD1-SD 4.17Å; L48-M328 HydrophobicContact CD2-CE 4.45Å; L48-M328 HydrophobicContact CD2-SD 3.99Å; L48-M328 HydrophobicContact CG-SD 4.48Å |
| 49 | F | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121.5 | 169.3 | -56.5 | -86.9 | 0 | 0 | 0 | 108.9 | V47 L208 V238 I241 V242 F257 I258 F259 T260 | V47-F49 HydrophobicContact CB-CE2 4.32Å; V47-F49 HydrophobicContact CG1-CD2 4.2Å; V47-F49 HydrophobicContact CG1-CE1 4.24Å; V47-F49 HydrophobicContact CG1-CE2 3.56Å; V47-F49 HydrophobicContact CG1-CZ 3.57Å; F49-L208 HydrophobicContact CD1-CB 3.93Å; F49-L208 HydrophobicContact CD1-CD1 4.18Å; F49-L208 HydrophobicContact CD1-CD2 3.9Å; F49-L208 HydrophobicContact CD1-CG 4.24Å; F49-L208 HydrophobicContact CE1-CB 4.46Å; F49-L208 HydrophobicContact CE1-CD1 4.02Å; F49-L208 HydrophobicContact CE1-CD2 3.62Å; F49-L208 HydrophobicContact CE1-CG 4.26Å; F49-V238 HydrophobicContact CD1-CG2 3.89Å; F49-V238 HydrophobicContact CD2-CG1 4.27Å; F49-V238 HydrophobicContact CE1-CG1 4.38Å; F49-V238 HydrophobicContact CE1-CG2 4.16Å; F49-V238 HydrophobicContact CE2-CG1 4.06Å; F49-V238 HydrophobicContact CG-CG2 4.18Å; F49-V238 HydrophobicContact CZ-CG1 4.13Å; F49-I241 HydrophobicContact CE1-CB 4.14Å; F49-I241 HydrophobicContact CE1-CG2 3.9Å; F49-I241 HydrophobicContact CZ-CB 4.18Å; F49-I241 HydrophobicContact CZ-CG2 3.8Å; F49-V242 HydrophobicContact CE2-CG2 4.35Å; F49-V242 HydrophobicContact CZ-CG2 4.34Å; F49-F257 HydrophobicContact CE2-CD1 4.07Å; F49-I258 PolarHBondContact N-O 3.13Å; F49-F259 HydrophobicContact CB-CD2 3.74Å; F49-F259 HydrophobicContact CB-CE2 4.48Å; F49-F259 HydrophobicContact CG-CD2 4.47Å; F49-F259 WeakPolarHBondContact O-CA 3.39Å; F49-T260 PolarHBondContact O-N 3.32Å |
| 50 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 110.4 | 171.4 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | L48 H98 L101 F207 L208 L210 T260 D262 | L48-V50 HydrophobicContact CD1-CG2 4.06Å; L48-V50 HydrophobicContact CD2-CG2 4.22Å; L48-V50 HydrophobicContact CG-CG2 3.95Å; V50-H98 WeakPolarHBondContact CG1-NE2 3.48Å; V50-L101 HydrophobicContact CG1-CD1 4.1Å; V50-L101 HydrophobicContact CG2-CD1 3.98Å; V50-F207 HydrophobicContact CB-CE2 4.01Å; V50-F207 HydrophobicContact CG2-CE2 3.68Å; V50-L208 PolarHBondContact N-O 3.34Å; V50-L210 PolarHBondContact O-N 3.27Å; V50-T260 WeakPolarHBondContact CA-O 3.37Å; V50-T260 HydrophobicContact CG2-CG2 3.99Å; V50-D262 HydrophobicContact CG1-CB 4.19Å |
| 51 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 97.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | L54 I213 V234 F259 T260 S261 | A51-L54 HydrophobicContact CB-CB 3.99Å; A51-L54 HydrophobicContact CB-CD2 3.72Å; A51-L54 VanDerWaalsContact O-CB 3.28Å; A51-L54 WeakPolarHBondContact O-CB 3.25Å; A51-L54 PolarHBondContact O-N 3.47Å; A51-I213 HydrophobicContact CB-CD1 4.02Å; A51-V234 HydrophobicContact CB-CG1 4.45Å; A51-F259 HydrophobicContact CB-CE2 4.16Å; A51-F259 HydrophobicContact CB-CZ 3.91Å; A51-T260 PolarHBondContact N-O 2.75Å; A51-S261 WeakPolarHBondContact O-CB 3.31Å; A51-S261 PolarHBondContact O-OG 3.2Å |
| 52 | D | 97.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 13.3 Ų | 13.3 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 137 | -173.8 | -162.6 | -37.6 | 0 | 0 | 0 | 110.8 | L54 S94 H98 H209 L210 L211 I213 D214 D262 H263 | D52-L54 VanDerWaalsContact C-N 3.25Å; D52-L54 PolarHBondContact O-N 3.37Å; D52-S94 PolarHBondContact OD2-OG 3.05Å; D52-H98 IonicContact OD2-CE1 2.76Å; D52-H209 IonicContact OD2-CE1 3.49Å; D52-H209 IonicContact OD2-NE2 3.49Å; D52-H209 PolarHBondContact OD2-NE2 3.35Å; D52-H209 VanDerWaalsContact OD2-NE2 3.14Å; D52-L210 PolarHBondContact N-O 3.4Å; D52-L211 HydrophobicContact CB-CD1 4.19Å; D52-I213 WeakPolarHBondContact O-CB 3.48Å; D52-D214 HydrophobicContact CB-CB 4Å; D52-D214 PolarHBondContact O-N 2.93Å; D52-D214 WeakPolarHBondContact OD1-CB 3.43Å; D52-D262 VanDerWaalsContact CA-OD1 3.32Å; D52-D262 WeakPolarHBondContact CA-OD1 3.33Å; D52-H263 IonicContact OD1-CE1 3.51Å; D52-H263 IonicContact OD1-NE2 2.67Å; D52-H263 PolarHBondContact OD1-NE2 3.34Å |
| 53 | G | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 16.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y227 D262 H263 | G53-Y227 PolarHBondContact O-OH 3.17Å; G53-D262 PolarHBondContact N-OD1 2.98Å; G53-H263 CarbonylContact C-O 3.48Å; G53-H263 VanDerWaalsContact C-O 3.25Å; G53-H263 WeakPolarHBondContact CA-O 3.38Å; G53-H263 PolarHBondContact N-O 2.85Å |
| 54 | L | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | trans | -85.9 | 116.1 | -178.2 | 176.3 | 62.2 | 0 | 0 | 0 | 111.8 | A51 D52 L59 I213 I231 F259 S261 H263 P282 | A51-L54 HydrophobicContact CB-CB 3.99Å; A51-L54 HydrophobicContact CB-CD2 3.72Å; A51-L54 VanDerWaalsContact O-CB 3.28Å; A51-L54 WeakPolarHBondContact O-CB 3.25Å; A51-L54 PolarHBondContact O-N 3.47Å; D52-L54 VanDerWaalsContact C-N 3.25Å; D52-L54 PolarHBondContact O-N 3.37Å; L54-L59 HydrophobicContact CD1-CB 4.3Å; L54-L59 HydrophobicContact CD2-CB 4.43Å; L54-L59 HydrophobicContact CD2-CD1 4.19Å; L54-L59 HydrophobicContact CD2-CD2 4.37Å; L54-I213 HydrophobicContact CB-CD1 4.45Å; L54-I213 HydrophobicContact CB-CG2 4.17Å; L54-I213 HydrophobicContact CD1-CD1 4.33Å; L54-I213 HydrophobicContact CD1-CG2 4.39Å; L54-I231 HydrophobicContact CD1-CD1 3.64Å; L54-I231 HydrophobicContact CD1-CG1 3.78Å; L54-F259 HydrophobicContact CD2-CE1 3.76Å; L54-F259 HydrophobicContact CD2-CZ 3.73Å; L54-S261 PolarHBondContact N-OG 3.12Å; L54-S261 VanDerWaalsContact N-OG 3.07Å; L54-S261 WeakPolarHBondContact O-CB 3.36Å; L54-S261 PolarHBondContact O-OG 3.15Å; L54-H263 PolarHBondContact N-O 3.21Å; L54-P282 HydrophobicContact CD2-CG 3.75Å; L54-P282 HydrophobicContact CG-CG 3.91Å; L54-P282 WeakPolarHBondContact O-CD 3.22Å | ||
| 55 | R | 96.1 | Very high | 95.2 | Very high | 25 Ų | 25 | 27.6 Ų | 27.6 | 9% | 0.094 | 14% | 0.136 | C | C | . | . | trans | -73.6 | 140.4 | 175.3 | -57.5 | 165.4 | 56.4 | 158.4 | -4 | 112 | D57 T58 L59 Y227 M265 D267 S277 | R55-D57 VanDerWaalsContact C-N 3.33Å; R55-D57 WeakPolarHBondContact CB-OD1 3.4Å; R55-D57 IonicContact CZ-OD1 3.32Å; R55-D57 IonicContact CZ-OD2 2.67Å; R55-D57 IonicContact NE-OD1 3.73Å; R55-D57 PolarHBondContact NE-OD1 3.37Å; R55-D57 IonicContact NE-OD2 3.64Å; R55-D57 PolarHBondContact NE-OD2 2.91Å; R55-D57 IonicContact NH2-OD1 3.12Å; R55-D57 IonicContact NH2-OD2 3.56Å; R55-D57 PolarHBondContact NH2-OD2 2.96Å; R55-D57 PolarHBondContact O-N 3.49Å; R55-T58 PolarHBondContact O-N 2.93Å; R55-L59 PolarHBondContact O-N 2.89Å; R55-Y227 PolarHBondContact N-OH 3.47Å; R55-M265 WeakPolarHBondContact CD-O 3.14Å; R55-D267 IonicContact CZ-OD1 3.4Å; R55-D267 IonicContact NH1-OD1 3.66Å; R55-D267 PolarHBondContact NH1-OD1 3.48Å; R55-D267 IonicContact NH2-OD1 3.48Å; R55-S277 WeakPolarHBondContact CG-O 3.36Å | ||
| 56 | A | 96 | Very high | 94.7 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | T58 L59 Y60 V85 L280 | A56-T58 PolarHBondContact O-N 2.89Å; A56-L59 PolarHBondContact O-N 2.81Å; A56-Y60 HydrophobicContact CB-CD2 4.32Å; A56-Y60 HydrophobicContact CB-CE2 4.17Å; A56-Y60 WeakPolarHBondContact O-CD2 3.21Å; A56-Y60 PolarHBondContact O-N 3.03Å; A56-Y60 VanDerWaalsContact O-N 3.12Å; A56-V85 HydrophobicContact CB-CG1 4.49Å; A56-V85 HydrophobicContact CB-CG2 4.41Å; A56-L280 HydrophobicContact CB-CB 4.28Å; A56-L280 VanDerWaalsContact CB-O 3.3Å; A56-L280 WeakPolarHBondContact CB-O 3.41Å; A56-L280 PolarHBondContact N-O 3.43Å |
| 57 | D | 93.5 | Very high | 94.4 | Very high | 42 Ų | 42 | 33 Ų | 33 | 23% | 0.225 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.8 | -46.3 | -179.5 | 59.1 | 10.6 | 0 | 0 | 0 | 111.9 | R55 L59 Y60 E61 W309 | R55-D57 VanDerWaalsContact C-N 3.33Å; R55-D57 WeakPolarHBondContact CB-OD1 3.4Å; R55-D57 IonicContact CZ-OD1 3.32Å; R55-D57 IonicContact CZ-OD2 2.67Å; R55-D57 IonicContact NE-OD1 3.73Å; R55-D57 PolarHBondContact NE-OD1 3.37Å; R55-D57 IonicContact NE-OD2 3.64Å; R55-D57 PolarHBondContact NE-OD2 2.91Å; R55-D57 IonicContact NH2-OD1 3.12Å; R55-D57 IonicContact NH2-OD2 3.56Å; R55-D57 PolarHBondContact NH2-OD2 2.96Å; R55-D57 PolarHBondContact O-N 3.49Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-L59 PolarHBondContact O-N 2.94Å; D57-Y60 PolarHBondContact O-N 3.48Å; D57-E61 WeakPolarHBondContact O-CA 3.26Å; D57-E61 WeakPolarHBondContact O-CB 3.25Å; D57-E61 PolarHBondContact O-N 2.93Å; D57-W309 HydrophobicContact CB-CZ2 4.49Å |
| 58 | T | 94.1 | Very high | 94.2 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 6% | 0.055 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -73.1 | -29.5 | -172.9 | -48.9 | 0 | 0 | 0 | 0 | 111.9 | R55 A56 Y227 K228 I231 | R55-T58 PolarHBondContact O-N 2.93Å; A56-T58 PolarHBondContact O-N 2.89Å; T58-Y227 HydrophobicContact CG2-CD1 4.3Å; T58-Y227 HydrophobicContact CG2-CE1 3.92Å; T58-K228 HydrophobicContact CG2-CG 4.43Å; T58-I231 HydrophobicContact CG2-CD1 3.56Å |
| 59 | L | 96.8 | Very high | 94 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.9 | -44.4 | 172.6 | -176.8 | 71.7 | 0 | 0 | 0 | 111.9 | L54 R55 A56 D57 A70 I73 I231 F259 P282 | L54-L59 HydrophobicContact CD1-CB 4.3Å; L54-L59 HydrophobicContact CD2-CB 4.43Å; L54-L59 HydrophobicContact CD2-CD1 4.19Å; L54-L59 HydrophobicContact CD2-CD2 4.37Å; R55-L59 PolarHBondContact O-N 2.89Å; A56-L59 PolarHBondContact O-N 2.81Å; D57-L59 VanDerWaalsContact C-N 3.34Å; D57-L59 PolarHBondContact O-N 2.94Å; L59-A70 HydrophobicContact CD1-CB 3.44Å; L59-A70 VanDerWaalsContact CD1-CB 3.44Å; L59-A70 HydrophobicContact CG-CB 4.48Å; L59-I73 HydrophobicContact CD2-CG2 4.26Å; L59-I231 HydrophobicContact CD1-CG2 4.02Å; L59-F259 HydrophobicContact CD1-CE1 4.28Å; L59-F259 HydrophobicContact CD2-CD1 4.39Å; L59-F259 HydrophobicContact CD2-CE1 3.81Å; L59-P282 HydrophobicContact CB-CB 4.34Å; L59-P282 HydrophobicContact CB-CG 4.44Å; L59-P282 HydrophobicContact CD2-CB 3.25Å; L59-P282 HydrophobicContact CD2-CG 3.68Å; L59-P282 HydrophobicContact CG-CB 4.4Å |
| 60 | Y | 95.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -88 | -21 | -173 | -60.3 | -40.1 | 0 | 0 | 0 | 114 | A56 D57 R74 I77 W83 G84 P282 F283 V284 W309 L311 | A56-Y60 HydrophobicContact CB-CD2 4.32Å; A56-Y60 HydrophobicContact CB-CE2 4.17Å; A56-Y60 WeakPolarHBondContact O-CD2 3.21Å; A56-Y60 PolarHBondContact O-N 3.03Å; A56-Y60 VanDerWaalsContact O-N 3.12Å; D57-Y60 PolarHBondContact O-N 3.48Å; Y60-R74 PolarHBondContact O-NH1 2.86Å; Y60-I77 HydrophobicContact CD1-CD1 4.03Å; Y60-I77 HydrophobicContact CE1-CD1 3.62Å; Y60-W83 HydrophobicContact CD2-CZ3 4.34Å; Y60-W83 HydrophobicContact CE1-CE3 4.32Å; Y60-W83 HydrophobicContact CE2-CE3 4.23Å; Y60-W83 HydrophobicContact CE2-CZ3 4.15Å; Y60-W83 AromaticContact CZ-CE3 3.99Å; Y60-G84 PolarHBondContact OH-O 2.95Å; Y60-P282 HydrophobicContact CE1-CB 4.33Å; Y60-P282 HydrophobicContact CE2-CB 4.09Å; Y60-P282 WeakPolarHBondContact OH-CA 2.99Å; Y60-P282 WeakPolarHBondContact OH-CB 3.19Å; Y60-F283 PolarHBondContact OH-N 3.3Å; Y60-F283 VanDerWaalsContact OH-N 3.08Å; Y60-F283 PolarHBondContact OH-O 3.14Å; Y60-V284 HydrophobicContact CE1-CG2 4.22Å; Y60-W309 VanDerWaalsContact CB-CG 3.46Å; Y60-W309 AromaticContact CD2-CD2 3.99Å; Y60-W309 HydrophobicContact CD2-CD2 3.99Å; Y60-W309 AromaticContact CD2-CE3 3.84Å; Y60-W309 HydrophobicContact CD2-CE3 3.84Å; Y60-W309 AromaticContact CD2-CH2 3.91Å; Y60-W309 HydrophobicContact CD2-CH2 3.91Å; Y60-W309 HydrophobicContact CD2-CZ2 4.03Å; Y60-W309 AromaticContact CD2-CZ3 3.81Å; Y60-W309 HydrophobicContact CD2-CZ3 3.81Å; Y60-W309 HydrophobicContact CE2-CH2 4.5Å; Y60-W309 HydrophobicContact CE2-CZ3 4.37Å; Y60-W309 HydrophobicContact CG-CD2 4.19Å; Y60-W309 HydrophobicContact CG-CE3 4.31Å; Y60-L311 HydrophobicContact CD1-CD1 4.41Å |
| 61 | E | 92.4 | Very high | 93.9 | Very high | 77 Ų | 77 | 38.6 Ų | 38.6 | 36% | 0.36 | 21% | 0.206 | S | C | . | . | trans | -60.9 | 139.4 | 175.6 | -175.4 | -163.7 | -149.6 | 0 | 0 | 111.4 | D57 R69 | D57-E61 WeakPolarHBondContact O-CA 3.26Å; D57-E61 WeakPolarHBondContact O-CB 3.25Å; D57-E61 PolarHBondContact O-N 2.93Å; E61-R69 IonicContact OE2-CZ 3.19Å; E61-R69 IonicContact OE2-NH1 3.08Å; E61-R69 PolarHBondContact OE2-NH1 2.91Å; E61-R69 IonicContact OE2-NH2 2.83Å; E61-R69 PolarHBondContact OE2-NH2 2.77Å | ||
| 62 | L | 91.8 | Very high | 93.9 | Very high | 23 Ų | 23 | 40 Ų | 40 | 12% | 0.12 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -89.7 | 145.5 | 169 | -60.2 | 176.4 | 0 | 0 | 0 | 110.4 | N67 R310 | L62-N67 CarbonylContact C-O 3.13Å; L62-N67 WeakPolarHBondContact CA-O 3.46Å; L62-R310 HydrophobicContact CD1-CB 4.09Å; L62-R310 HydrophobicContact CD1-CG 3.86Å |
| 63 | D | 87.3 | Confident | 93.9 | Very high | 43 Ų | 43 | 40 Ų | 40 | 23% | 0.23 | 21% | 0.213 | C | C | . | . | trans | -69.1 | 177.9 | 171.6 | 65 | 25.1 | 0 | 0 | 0 | 112.8 | D65 G66 N67 | D63-D65 PolarHBondContact O-N 3.25Å; D63-D65 VanDerWaalsContact O-N 3.17Å; D63-D65 PolarHBondContact OD1-N 3.38Å; D63-D65 VanDerWaalsContact OD1-N 3.13Å; D63-G66 WeakPolarHBondContact O-CA 3.28Å; D63-G66 PolarHBondContact O-N 3.03Å; D63-G66 PolarHBondContact OD1-N 3.47Å; D63-G66 VanDerWaalsContact OD1-N 3.16Å; D63-N67 PolarHBondContact N-O 2.9Å; D63-N67 WeakPolarHBondContact OD1-CA 3.47Å; D63-N67 WeakPolarHBondContact OD1-CB 3.45Å; D63-N67 PolarHBondContact OD1-N 3.09Å | ||
| 64 | E | 84.6 | Confident | 94 | Very high | 204 Ų | 204 | 41.6 Ų | 41.6 | 95% | 0.953 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26.8 | -177.7 | -63.4 | -177.8 | -179.1 | 0 | 0 | 112.7 | G66 | E64-G66 VanDerWaalsContact C-N 3.28Š|
| 65 | D | 87.1 | Confident | 94 | Very high | 141 Ų | 141 | 44.7 Ų | 44.7 | 75% | 0.754 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -1.1 | 176.9 | -62.5 | -46.2 | 0 | 0 | 0 | 112.4 | D63 N67 | D63-D65 PolarHBondContact O-N 3.25Å; D63-D65 VanDerWaalsContact O-N 3.17Å; D63-D65 PolarHBondContact OD1-N 3.38Å; D63-D65 VanDerWaalsContact OD1-N 3.13Å; D65-N67 WeakPolarHBondContact CB-ND2 3.42Å |
| 66 | G | 88.7 | Confident | 94.1 | Very high | 26 Ų | 26 | 43.5 Ų | 43.5 | 27% | 0.268 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 80.1 | 14.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D63 E64 | D63-G66 WeakPolarHBondContact O-CA 3.28Å; D63-G66 PolarHBondContact O-N 3.03Å; D63-G66 PolarHBondContact OD1-N 3.47Å; D63-G66 VanDerWaalsContact OD1-N 3.16Å; E64-G66 VanDerWaalsContact C-N 3.28Å |
| 67 | N | 92.2 | Very high | 94.2 | Very high | 92 Ų | 92 | 43.5 Ų | 43.5 | 49% | 0.492 | 23% | 0.231 | S | C | . | . | trans | -92.5 | 147 | 179.4 | -58.4 | -60.4 | 0 | 0 | 0 | 111.9 | L62 D63 D65 | L62-N67 CarbonylContact C-O 3.13Å; L62-N67 WeakPolarHBondContact CA-O 3.46Å; D63-N67 PolarHBondContact N-O 2.9Å; D63-N67 WeakPolarHBondContact OD1-CA 3.47Å; D63-N67 WeakPolarHBondContact OD1-CB 3.45Å; D63-N67 PolarHBondContact OD1-N 3.09Å; D65-N67 WeakPolarHBondContact CB-ND2 3.42Å | ||
| 68 | S | 94.8 | Very high | 94.3 | Very high | 23 Ų | 23 | 44 Ų | 44 | 16% | 0.161 | 23% | 0.233 | C | C | . | . | B | Isolated β-bridge | trans | -77.5 | 138.1 | 173.3 | -172.2 | 0 | 0 | 0 | 0 | 110.7 | A70 R74 | S68-A70 VanDerWaalsContact C-N 3.28Å; S68-A70 VanDerWaalsContact OG-C 3.32Å; S68-A70 PolarHBondContact OG-N 3.5Å; S68-A70 PolarHBondContact OG-O 2.98Å; S68-A70 VanDerWaalsContact OG-O 3.07Å; S68-R74 VanDerWaalsContact CB-CD 3.46Å |
| 69 | R | 94.4 | Very high | 94.5 | Very high | 17 Ų | 17 | 48.9 Ų | 48.9 | 6% | 0.064 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -74.1 | -23 | 170 | -61.7 | -176.1 | -172.1 | 95.5 | -0.8 | 112.7 | E61 P71 I231 K232 | E61-R69 IonicContact OE2-CZ 3.19Å; E61-R69 IonicContact OE2-NH1 3.08Å; E61-R69 PolarHBondContact OE2-NH1 2.91Å; E61-R69 IonicContact OE2-NH2 2.83Å; E61-R69 PolarHBondContact OE2-NH2 2.77Å; R69-P71 VanDerWaalsContact C-CD 3.41Å; R69-P71 WeakPolarHBondContact O-CD 3.45Å; R69-I231 HydrophobicContact CB-CG2 4.44Å; R69-K232 HydrophobicContact CB-CG 4.33Å; R69-K232 WeakPolarHBondContact O-CA 3.45Å; R69-K232 VanDerWaalsContact O-CG 3.23Å; R69-K232 WeakPolarHBondContact O-CG 3.26Å |
| 70 | A | 97.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 2% | 0.017 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -119.5 | 73.5 | 175 | 0 | 0 | 0 | 0 | 0 | 109.1 | L59 S68 F72 I73 R74 I231 D235 | L59-A70 HydrophobicContact CD1-CB 3.44Å; L59-A70 VanDerWaalsContact CD1-CB 3.44Å; L59-A70 HydrophobicContact CG-CB 4.48Å; S68-A70 VanDerWaalsContact C-N 3.28Å; S68-A70 VanDerWaalsContact OG-C 3.32Å; S68-A70 PolarHBondContact OG-N 3.5Å; S68-A70 PolarHBondContact OG-O 2.98Å; S68-A70 VanDerWaalsContact OG-O 3.07Å; A70-F72 VanDerWaalsContact C-N 3.33Å; A70-F72 PolarHBondContact O-N 3.32Å; A70-I73 HydrophobicContact CB-CB 4.12Å; A70-R74 VanDerWaalsContact O-CB 3.26Å; A70-R74 WeakPolarHBondContact O-CB 3.48Å; A70-R74 PolarHBondContact O-N 3.42Å; A70-I231 HydrophobicContact CB-CG2 4.36Å; A70-D235 VanDerWaalsContact C-OD1 3.26Å; A70-D235 VanDerWaalsContact CA-OD1 3.31Å; A70-D235 WeakPolarHBondContact CA-OD1 3.5Å; A70-D235 HydrophobicContact CB-CB 3.95Å; A70-D235 WeakPolarHBondContact CB-OD1 3.35Å |
| 71 | P | 97.6 | Very high | 94.5 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63 | -34.9 | -176.3 | 24.7 | -34.8 | 0 | 0 | 0 | 113.2 | R69 N75 D235 | R69-P71 VanDerWaalsContact C-CD 3.41Å; R69-P71 WeakPolarHBondContact O-CD 3.45Å; P71-N75 VanDerWaalsContact O-CB 3.26Å; P71-N75 WeakPolarHBondContact O-CB 3.24Å; P71-N75 PolarHBondContact O-N 3.37Å; P71-D235 WeakPolarHBondContact CD-OD2 3.24Å; P71-D235 WeakPolarHBondContact CG-OD2 3.48Å |
| 72 | F | 98.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 48.1 Ų | 48.1 | 13% | 0.127 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.8 | -51.3 | 176.6 | 172 | -99.6 | 0 | 0 | 0 | 111.4 | A70 R74 N75 V76 D235 V238 K239 V242 W286 | A70-F72 VanDerWaalsContact C-N 3.33Å; A70-F72 PolarHBondContact O-N 3.32Å; F72-R74 VanDerWaalsContact C-N 3.31Å; F72-R74 PolarHBondContact O-N 3.28Å; F72-N75 WeakPolarHBondContact O-CB 3.44Å; F72-N75 PolarHBondContact O-N 2.93Å; F72-N75 VanDerWaalsContact O-N 3.1Å; F72-V76 HydrophobicContact CD1-CG2 4.46Å; F72-V76 HydrophobicContact CE1-CG2 3.97Å; F72-V76 HydrophobicContact CE2-CG2 4.25Å; F72-V76 HydrophobicContact CZ-CG2 3.86Å; F72-V76 WeakPolarHBondContact O-CG2 3.42Å; F72-V76 PolarHBondContact O-N 2.97Å; F72-D235 WeakPolarHBondContact CB-OD1 3.41Å; F72-D235 VanDerWaalsContact CB-OD2 3.29Å; F72-D235 WeakPolarHBondContact CB-OD2 3.45Å; F72-D235 PolarHBondContact N-OD1 3.41Å; F72-D235 PolarHBondContact N-OD2 2.93Å; F72-V238 HydrophobicContact CD1-CG1 4.2Å; F72-V238 HydrophobicContact CE1-CG1 3.84Å; F72-K239 HydrophobicContact CB-CB 3.97Å; F72-K239 HydrophobicContact CB-CD 4.25Å; F72-K239 HydrophobicContact CB-CG 4.37Å; F72-K239 HydrophobicContact CD1-CB 4.01Å; F72-K239 HydrophobicContact CD2-CB 3.69Å; F72-K239 HydrophobicContact CD2-CD 4.07Å; F72-K239 HydrophobicContact CD2-CG 3.57Å; F72-K239 HydrophobicContact CE1-CB 4.49Å; F72-K239 HydrophobicContact CE2-CB 4.18Å; F72-K239 HydrophobicContact CE2-CG 4.03Å; F72-K239 HydrophobicContact CG-CB 3.6Å; F72-K239 HydrophobicContact CG-CD 4.38Å; F72-K239 HydrophobicContact CG-CG 3.99Å; F72-V242 HydrophobicContact CE1-CG2 4.21Å; F72-V242 HydrophobicContact CZ-CB 4.11Å; F72-V242 HydrophobicContact CZ-CG1 4.13Å; F72-V242 HydrophobicContact CZ-CG2 4.01Å; F72-W286 HydrophobicContact CE1-CZ2 4.22Å; F72-W286 HydrophobicContact CZ-CZ2 4.48Å |
| 73 | I | 98.5 | Very high | 95 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 177.8 | -65.3 | -61.9 | 0 | 0 | 0 | 110.7 | L59 A70 N75 V76 I77 D235 V238 F259 V284 W286 | L59-I73 HydrophobicContact CD2-CG2 4.26Å; A70-I73 HydrophobicContact CB-CB 4.12Å; I73-N75 VanDerWaalsContact C-N 3.31Å; I73-N75 PolarHBondContact O-N 2.91Å; I73-V76 WeakPolarHBondContact O-CB 3.4Å; I73-V76 PolarHBondContact O-N 3.39Å; I73-V76 VanDerWaalsContact O-N 3.15Å; I73-I77 HydrophobicContact CG2-CD1 4.27Å; I73-I77 WeakPolarHBondContact O-CG1 3.23Å; I73-I77 PolarHBondContact O-N 3.37Å; I73-D235 VanDerWaalsContact CG1-OD1 3.32Å; I73-D235 WeakPolarHBondContact CG1-OD1 3.42Å; I73-D235 PolarHBondContact N-OD1 3.48Å; I73-V238 HydrophobicContact CD1-CG1 4.22Å; I73-F259 HydrophobicContact CD1-CB 4.1Å; I73-F259 HydrophobicContact CD1-CD1 4.09Å; I73-F259 HydrophobicContact CD1-CD2 4.11Å; I73-F259 HydrophobicContact CD1-CG 3.82Å; I73-F259 HydrophobicContact CG1-CD1 4.37Å; I73-F259 HydrophobicContact CG1-CE1 4.45Å; I73-V284 HydrophobicContact CG2-CB 4.3Å; I73-V284 HydrophobicContact CG2-CG1 4.33Å; I73-V284 HydrophobicContact CG2-CG2 3.82Å; I73-W286 HydrophobicContact CD1-CH2 4.24Å; I73-W286 HydrophobicContact CD1-CZ3 4.46Å |
| 74 | R | 97.7 | Very high | 95.5 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 13% | 0.128 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 174.7 | -170.8 | 174.7 | -174.1 | 95.5 | 3 | 112 | Y60 S68 A70 F72 V76 I77 M78 W309 R310 | Y60-R74 PolarHBondContact O-NH1 2.86Å; S68-R74 VanDerWaalsContact CB-CD 3.46Å; A70-R74 VanDerWaalsContact O-CB 3.26Å; A70-R74 WeakPolarHBondContact O-CB 3.48Å; A70-R74 PolarHBondContact O-N 3.42Å; F72-R74 VanDerWaalsContact C-N 3.31Å; F72-R74 PolarHBondContact O-N 3.28Å; R74-V76 VanDerWaalsContact C-N 3.33Å; R74-V76 PolarHBondContact O-N 3.12Å; R74-I77 WeakPolarHBondContact O-CB 3.4Å; R74-I77 PolarHBondContact O-N 2.88Å; R74-M78 HydrophobicContact CG-SD 4.04Å; R74-M78 WeakPolarHBondContact O-CG 3.11Å; R74-M78 PolarHBondContact O-N 2.92Å; R74-W309 PolarHBondContact NH1-O 3.2Å; R74-W309 PolarHBondContact NH2-O 3.42Å; R74-R310 PolarHBondContact NH2-O 3.33Å |
| 75 | N | 98.2 | Very high | 96.1 | Very high | 65 Ų | 65 | 35.5 Ų | 35.5 | 35% | 0.348 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.1 | -41 | 174.5 | -178 | 67.9 | 0 | 0 | 0 | 112 | P71 F72 I73 M78 H79 | P71-N75 VanDerWaalsContact O-CB 3.26Å; P71-N75 WeakPolarHBondContact O-CB 3.24Å; P71-N75 PolarHBondContact O-N 3.37Å; F72-N75 WeakPolarHBondContact O-CB 3.44Å; F72-N75 PolarHBondContact O-N 2.93Å; F72-N75 VanDerWaalsContact O-N 3.1Å; I73-N75 VanDerWaalsContact C-N 3.31Å; I73-N75 PolarHBondContact O-N 2.91Å; N75-M78 PolarHBondContact O-N 3.15Å; N75-H79 WeakPolarHBondContact O-CB 3.11Å; N75-H79 PolarHBondContact O-N 3.31Å; N75-H79 PolarHBondContact O-ND1 3.49Å; N75-H79 VanDerWaalsContact O-ND1 3.12Å; N75-H79 PolarHBondContact OD1-CE1 2.92Å; N75-H79 PolarHBondContact OD1-ND1 3.26Å |
| 76 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.3 | -48.5 | 174.2 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | F72 I73 R74 M78 H79 E80 G81 V284 W286 | F72-V76 HydrophobicContact CD1-CG2 4.46Å; F72-V76 HydrophobicContact CE1-CG2 3.97Å; F72-V76 HydrophobicContact CE2-CG2 4.25Å; F72-V76 HydrophobicContact CZ-CG2 3.86Å; F72-V76 WeakPolarHBondContact O-CG2 3.42Å; F72-V76 PolarHBondContact O-N 2.97Å; I73-V76 WeakPolarHBondContact O-CB 3.4Å; I73-V76 PolarHBondContact O-N 3.39Å; I73-V76 VanDerWaalsContact O-N 3.15Å; R74-V76 VanDerWaalsContact C-N 3.33Å; R74-V76 PolarHBondContact O-N 3.12Å; V76-M78 PolarHBondContact O-N 2.92Å; V76-H79 PolarHBondContact O-N 2.93Å; V76-E80 HydrophobicContact CG1-CB 4.47Å; V76-E80 PolarHBondContact O-N 3.45Å; V76-G81 PolarHBondContact O-N 3.26Å; V76-V284 HydrophobicContact CG1-CG1 3.86Å; V76-W286 HydrophobicContact CG1-CB 3.73Å; V76-W286 HydrophobicContact CG1-CD2 3.54Å; V76-W286 HydrophobicContact CG1-CE3 3.59Å; V76-W286 HydrophobicContact CG1-CG 3.63Å; V76-W286 HydrophobicContact CG1-CZ3 4.39Å; V76-W286 HydrophobicContact CG2-CD2 4.36Å |
| 77 | I | 97.9 | Very high | 97 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.6 | -42.6 | 177.2 | -67.7 | 169.8 | 0 | 0 | 0 | 111.4 | Y60 I73 R74 W83 V284 P293 L311 | Y60-I77 HydrophobicContact CD1-CD1 4.03Å; Y60-I77 HydrophobicContact CE1-CD1 3.62Å; I73-I77 HydrophobicContact CG2-CD1 4.27Å; I73-I77 WeakPolarHBondContact O-CG1 3.23Å; I73-I77 PolarHBondContact O-N 3.37Å; R74-I77 WeakPolarHBondContact O-CB 3.4Å; R74-I77 PolarHBondContact O-N 2.88Å; I77-W83 HydrophobicContact CB-CB 4.48Å; I77-W83 HydrophobicContact CB-CG 4.47Å; I77-W83 HydrophobicContact CD1-CB 4.37Å; I77-W83 HydrophobicContact CG1-CB 3.85Å; I77-W83 HydrophobicContact CG1-CG 4.24Å; I77-W83 HydrophobicContact CG2-CB 4.12Å; I77-W83 HydrophobicContact CG2-CD2 4.03Å; I77-W83 HydrophobicContact CG2-CG 3.61Å; I77-V284 HydrophobicContact CD1-CG2 3.91Å; I77-V284 HydrophobicContact CG1-CG1 3.84Å; I77-V284 HydrophobicContact CG1-CG2 3.91Å; I77-P293 WeakPolarHBondContact O-CG 3.47Å; I77-L311 HydrophobicContact CG2-CD1 4.44Å; I77-L311 HydrophobicContact CG2-CD2 4.09Å |
| 78 | M | 96.9 | Very high | 97.1 | Very high | 53 Ų | 53 | 26.6 Ų | 26.6 | 26% | 0.261 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -79.9 | -28.2 | -172.7 | -69.6 | 175.5 | 69.6 | 0 | 0 | 113.8 | R74 N75 V76 W314 | R74-M78 HydrophobicContact CG-SD 4.04Å; R74-M78 WeakPolarHBondContact O-CG 3.11Å; R74-M78 PolarHBondContact O-N 2.92Å; N75-M78 PolarHBondContact O-N 3.15Å; V76-M78 PolarHBondContact O-N 2.92Å; M78-W314 HydrophobicContact CB-CZ2 4.29Å; M78-W314 HydrophobicContact CE-CH2 3.65Å; M78-W314 HydrophobicContact CE-CZ2 3.49Å; M78-W314 VanDerWaalsContact CE-CZ2 3.49Å; M78-W314 HydrophobicContact CG-CD2 4.42Å; M78-W314 HydrophobicContact CG-CZ2 3.94Å; M78-W314 PolarHBondContact O-NE1 3.42Å; M78-W314 HydrophobicContact SD-CZ2 4.48Å |
| 79 | H | 97.3 | Very high | 96.8 | Very high | 111 Ų | 111 | 31.6 Ų | 31.6 | 51% | 0.514 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -128.7 | -28.6 | -166.7 | -55.4 | 104.7 | 0 | 0 | 0 | 115.7 | N75 V76 P293 | N75-H79 WeakPolarHBondContact O-CB 3.11Å; N75-H79 PolarHBondContact O-N 3.31Å; N75-H79 PolarHBondContact O-ND1 3.49Å; N75-H79 VanDerWaalsContact O-ND1 3.12Å; N75-H79 PolarHBondContact OD1-CE1 2.92Å; N75-H79 PolarHBondContact OD1-ND1 3.26Å; V76-H79 PolarHBondContact O-N 2.93Å; H79-P293 VanDerWaalsContact C-CG 3.44Å |
| 80 | E | 95.8 | Very high | 96.5 | Very high | 64 Ų | 64 | 35 Ų | 35 | 30% | 0.299 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -34.1 | -168.1 | -64.5 | -174 | -155.9 | 0 | 0 | 113.9 | V76 K246 | V76-E80 HydrophobicContact CG1-CB 4.47Å; V76-E80 PolarHBondContact O-N 3.45Å; E80-K246 IonicContact OE2-NZ 2.99Å |
| 81 | G | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -117.3 | -177.5 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | V76 T285 K291 P293 | V76-G81 PolarHBondContact O-N 3.26Å; G81-T285 CarbonylContact C-O 3.28Å; G81-T285 WeakPolarHBondContact CA-O 3.5Å; G81-K291 CarbonylContact C-O 3.58Å; G81-P293 WeakPolarHBondContact O-CA 3.35Å; G81-P293 VanDerWaalsContact O-CD 3.31Å; G81-P293 WeakPolarHBondContact O-CD 3.29Å; G81-P293 VanDerWaalsContact O-CG 3.27Å; G81-P293 WeakPolarHBondContact O-CG 3.11Å | ||
| 82 | S | 97.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 4% | 0.035 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 150.1 | 167.7 | -74.8 | 0 | 0 | 0 | 0 | 109.4 | T285 K291 Y348 | S82-T285 PolarHBondContact N-O 3.15Å; S82-T285 PolarHBondContact O-N 3.48Å; S82-K291 PolarHBondContact OG-O 3.44Å; S82-Y348 VanDerWaalsContact CB-CE1 3.43Å |
| 83 | W | 97.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.015 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 161.7 | -170.3 | 79.4 | -76.2 | 0 | 0 | 0 | 113 | Y60 I77 F283 V284 L306 W309 L311 W314 R316 R317 Y348 | Y60-W83 HydrophobicContact CD2-CZ3 4.34Å; Y60-W83 HydrophobicContact CE1-CE3 4.32Å; Y60-W83 HydrophobicContact CE2-CE3 4.23Å; Y60-W83 HydrophobicContact CE2-CZ3 4.15Å; Y60-W83 AromaticContact CZ-CE3 3.99Å; I77-W83 HydrophobicContact CB-CB 4.48Å; I77-W83 HydrophobicContact CB-CG 4.47Å; I77-W83 HydrophobicContact CD1-CB 4.37Å; I77-W83 HydrophobicContact CG1-CB 3.85Å; I77-W83 HydrophobicContact CG1-CG 4.24Å; I77-W83 HydrophobicContact CG2-CB 4.12Å; I77-W83 HydrophobicContact CG2-CD2 4.03Å; I77-W83 HydrophobicContact CG2-CG 3.61Å; W83-F283 CarbonylContact C-O 3.55Å; W83-F283 VanDerWaalsContact CA-O 3.28Å; W83-F283 WeakPolarHBondContact CA-O 3.45Å; W83-V284 HydrophobicContact CB-CG2 4.33Å; W83-L306 HydrophobicContact CH2-CD2 3.87Å; W83-L306 HydrophobicContact CZ2-CD2 4.22Å; W83-W309 HydrophobicContact CH2-CE3 4.13Å; W83-W309 HydrophobicContact CH2-CZ3 4.45Å; W83-W309 HydrophobicContact CZ3-CE3 4.03Å; W83-W309 HydrophobicContact CZ3-CZ3 4.11Å; W83-L311 HydrophobicContact CE3-CD1 4.29Å; W83-L311 HydrophobicContact CH2-CB 3.73Å; W83-L311 HydrophobicContact CH2-CD1 3.75Å; W83-L311 HydrophobicContact CH2-CG 4.4Å; W83-L311 HydrophobicContact CZ2-CB 3.61Å; W83-L311 HydrophobicContact CZ2-CD1 4.03Å; W83-L311 HydrophobicContact CZ2-CG 4.4Å; W83-L311 HydrophobicContact CZ3-CD1 3.89Å; W83-W314 WeakPolarHBondContact CZ2-O 3.4Å; W83-W314 PolarHBondContact NE1-O 3.45Å; W83-R316 HydrophobicContact CH2-CB 4.03Å; W83-R316 HydrophobicContact CH2-CG 4.18Å; W83-R316 HydrophobicContact CZ2-CB 3.8Å; W83-R316 HydrophobicContact CZ2-CG 4.4Å; W83-R316 HydrophobicContact CZ3-CG 4.35Å; W83-R317 PolarHBondContact O-N 3.33Å; W83-Y348 PolarHBondContact O-OH 3.44Å |
| 84 | G | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | -156.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y60 F283 R317 | Y60-G84 PolarHBondContact OH-O 2.95Å; G84-F283 PolarHBondContact N-O 3.07Å; G84-F283 PolarHBondContact O-N 2.81Å; G84-R317 WeakPolarHBondContact CA-O 3.32Å |
| 85 | V | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 130.9 | 179.4 | 179.5 | 0 | 0 | 0 | 0 | 109.8 | A56 L280 T281 W309 D318 V319 | A56-V85 HydrophobicContact CB-CG1 4.49Å; A56-V85 HydrophobicContact CB-CG2 4.41Å; V85-L280 HydrophobicContact CG1-CB 3.79Å; V85-L280 HydrophobicContact CG1-CD2 3.83Å; V85-L280 HydrophobicContact CG1-CG 4.33Å; V85-T281 WeakPolarHBondContact CA-O 3.27Å; V85-W309 HydrophobicContact CG2-CH2 3.89Å; V85-W309 HydrophobicContact CG2-CZ3 4.15Å; V85-D318 PolarHBondContact N-OD1 3.22Å; V85-D318 VanDerWaalsContact O-CA 3.24Å; V85-D318 WeakPolarHBondContact O-CA 3.48Å; V85-D318 WeakPolarHBondContact O-CB 3.45Å; V85-V319 PolarHBondContact O-N 2.89Å |
| 86 | S | 98 | Very high | 94.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 126.6 | 167.1 | 161 | 0 | 0 | 0 | 0 | 109.1 | T281 V319 | S86-T281 VanDerWaalsContact CB-OG1 3.26Å; S86-T281 WeakPolarHBondContact CB-OG1 3.37Å; S86-T281 PolarHBondContact N-O 3Å; S86-T281 PolarHBondContact O-N 3.48Å; S86-T281 PolarHBondContact O-OG1 3.32Å; S86-T281 VanDerWaalsContact O-OG1 3.12Å; S86-T281 PolarHBondContact OG-OG1 2.88Å; S86-V319 WeakPolarHBondContact CA-O 3.22Å |
| 87 | H | 97.3 | Very high | 93.9 | Very high | 61 Ų | 61 | 31 Ų | 31 | 28% | 0.282 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 104.4 | 179.2 | -65.2 | -95.4 | 0 | 0 | 0 | 109.7 | L280 D318 V319 Q321 | H87-L280 VanDerWaalsContact CE1-CD2 3.44Å; H87-L280 WeakPolarHBondContact CE1-CD2 3.45Å; H87-L280 WeakPolarHBondContact ND1-CD2 3.44Å; H87-D318 IonicContact CD2-OD2 3.56Å; H87-D318 IonicContact CE1-OD2 2.84Å; H87-D318 IonicContact NE2-OD2 3.59Å; H87-D318 PolarHBondContact NE2-OD2 3.15Å; H87-V319 PolarHBondContact CD2-O 3.38Å; H87-V319 PolarHBondContact N-O 3.13Å; H87-Q321 PolarHBondContact O-N 2.95Å |
| 88 | T | 93.8 | Very high | 93.8 | Very high | 11 Ų | 11 | 30.9 Ų | 30.9 | 7% | 0.067 | 15% | 0.151 | C | C | . | . | trans | -81.5 | 166.9 | 172.6 | -174 | 0 | 0 | 0 | 0 | 111.2 | T92 D262 H263 E278 T279 T281 Q321 | T88-T92 HydrophobicContact CG2-CG2 3.84Å; T88-D262 PolarHBondContact OG1-O 2.94Å; T88-H263 HydrophobicContact CG2-CB 4.39Å; T88-E278 WeakPolarHBondContact CG2-O 3.36Å; T88-T279 VanDerWaalsContact CG2-CA 3.47Å; T88-T279 WeakPolarHBondContact CG2-O 3.32Å; T88-T279 PolarHBondContact N-O 2.89Å; T88-T281 HydrophobicContact CG2-CG2 4.42Å; T88-Q321 PolarHBondContact OG1-OE1 3.2Å | ||
| 89 | R | 89.3 | Confident | 93.7 | Very high | 129 Ų | 129 | 28.3 Ų | 28.3 | 49% | 0.487 | 14% | 0.138 | S | C | . | . | trans | -120.2 | 158.9 | -177.7 | -67.3 | -168.6 | -176.3 | 176.3 | 1.7 | 111.5 | P91 T92 Y106 | R89-P91 CarbonylContact O-C 3.53Å; R89-P91 VanDerWaalsContact O-C 3.28Å; R89-T92 PolarHBondContact O-N 3.3Å; R89-Y106 HydrophobicContact CB-CD1 3.85Å; R89-Y106 HydrophobicContact CB-CE1 3.97Å; R89-Y106 HydrophobicContact CG-CD1 3.86Å; R89-Y106 HydrophobicContact CG-CE1 3.56Å; R89-Y106 HydrophobicContact CG-CG 4.46Å; R89-Y106 VanDerWaalsContact NH1-CD2 3.31Å | ||
| 90 | V | 87 | Confident | 93.6 | Very high | 89 Ų | 89 | 23 Ų | 23 | 54% | 0.539 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -73.2 | 137.2 | 173.7 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 91 | P | 88.7 | Confident | 93.7 | Very high | 21 Ų | 21 | 20 Ų | 20 | 14% | 0.136 | 10% | 0.1 | C | C | . | . | S | Bend | cis | -76.6 | 129.5 | -0.8 | 31.6 | -33.3 | 0 | 0 | 0 | 111.9 | R89 E93 P96 | R89-P91 CarbonylContact O-C 3.53Å; R89-P91 VanDerWaalsContact O-C 3.28Å; P91-E93 HydrophobicContact CB-CG 3.99Å; P91-E93 PolarHBondContact O-N 3.27Å; P91-P96 HydrophobicContact CG-CG 4.18Å |
| 92 | T | 88.9 | Confident | 93.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -79.2 | 68.4 | 177.3 | 59.2 | 0 | 0 | 0 | 0 | 109.6 | T88 R89 H271 G272 A273 E278 T279 | T88-T92 HydrophobicContact CG2-CG2 3.84Å; R89-T92 PolarHBondContact O-N 3.3Å; T92-H271 PolarHBondContact O-ND1 3.5Å; T92-G272 PolarHBondContact O-N 2.96Å; T92-G272 VanDerWaalsContact OG1-CA 3.24Å; T92-G272 WeakPolarHBondContact OG1-CA 3.47Å; T92-G272 PolarHBondContact OG1-N 3.08Å; T92-A273 VanDerWaalsContact CG2-O 3.29Å; T92-A273 WeakPolarHBondContact CG2-O 3.26Å; T92-A273 PolarHBondContact OG1-N 3.41Å; T92-A273 PolarHBondContact OG1-O 3.1Å; T92-E278 HydrophobicContact CG2-CB 4.17Å; T92-E278 PolarHBondContact OG1-OE2 3.08Å; T92-T279 HydrophobicContact CG2-CG2 3.82Å | ||
| 93 | E | 89.8 | Confident | 93.6 | Very high | 50 Ų | 50 | 19.8 Ų | 19.8 | 23% | 0.234 | 10% | 0.098 | C | C | . | . | trans | -113.6 | 154.4 | 178.6 | -65 | -72.2 | 168.3 | 0 | 0 | 108.7 | P91 R95 P96 G97 H263 H271 | P91-E93 HydrophobicContact CB-CG 3.99Å; P91-E93 PolarHBondContact O-N 3.27Å; E93-R95 VanDerWaalsContact C-N 3.33Å; E93-R95 PolarHBondContact O-N 3.08Å; E93-P96 HydrophobicContact CB-CG 4.1Å; E93-P96 WeakPolarHBondContact O-CD 3.42Å; E93-G97 PolarHBondContact O-N 2.68Å; E93-G97 VanDerWaalsContact O-N 3.11Å; E93-H263 VanDerWaalsContact C-CD2 3.5Å; E93-H271 IonicContact OE2-CE1 3.5Å; E93-H271 PolarHBondContact OE2-CE1 3.48Å; E93-H271 VanDerWaalsContact OE2-CE1 3.26Å; E93-H271 IonicContact OE2-ND1 3.53Å | ||
| 94 | S | 90.6 | Very high | 93.6 | Very high | 22 Ų | 22 | 19.6 Ų | 19.6 | 15% | 0.154 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | -170.2 | -40.8 | 0 | 0 | 0 | 0 | 112.7 | D52 G97 H98 D262 H263 | D52-S94 PolarHBondContact OD2-OG 3.05Å; S94-G97 PolarHBondContact O-N 3.48Å; S94-H98 WeakPolarHBondContact O-CB 3.45Å; S94-H98 PolarHBondContact O-N 2.9Å; S94-H98 PolarHBondContact O-ND1 3.18Å; S94-D262 WeakPolarHBondContact CA-OD2 3.16Å; S94-D262 VanDerWaalsContact CB-OD2 3.28Å; S94-D262 WeakPolarHBondContact CB-OD2 3.33Å; S94-H263 PolarHBondContact N-CD2 2.96Å; S94-H263 PolarHBondContact N-NE2 3.24Å; S94-H263 PolarHBondContact OG-NE2 3.39Å; S94-H263 VanDerWaalsContact OG-NE2 3.07Å |
| 95 | R | 89.2 | Confident | 93.4 | Very high | 15 Ų | 15 | 19.8 Ų | 19.8 | 6% | 0.057 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.5 | -57.8 | 179.9 | -177.9 | -165.3 | 83.5 | -168.9 | 4.1 | 112.8 | E93 G97 H98 V99 E107 A111 G115 E118 M144 | E93-R95 VanDerWaalsContact C-N 3.33Å; E93-R95 PolarHBondContact O-N 3.08Å; R95-G97 VanDerWaalsContact C-N 3.25Å; R95-G97 PolarHBondContact O-N 2.91Å; R95-H98 PolarHBondContact O-N 2.99Å; R95-V99 HydrophobicContact CG-CG2 4.45Å; R95-V99 WeakPolarHBondContact O-CG2 3.42Å; R95-V99 PolarHBondContact O-N 3.35Å; R95-E107 IonicContact CZ-OE1 3.6Å; R95-E107 IonicContact CZ-OE2 3.7Å; R95-E107 IonicContact NE-OE1 3.63Å; R95-E107 PolarHBondContact NE-OE1 3.41Å; R95-E107 IonicContact NE-OE2 2.99Å; R95-E107 PolarHBondContact NE-OE2 3.43Å; R95-E107 IonicContact NH2-OE1 3.38Å; R95-E107 PolarHBondContact NH2-OE1 3.02Å; R95-E107 IonicContact NH2-OE2 2.75Å; R95-E107 PolarHBondContact NH2-OE2 3.45Å; R95-A111 VanDerWaalsContact NH2-C 3.33Å; R95-A111 PolarHBondContact NH2-O 2.9Å; R95-G115 PolarHBondContact NH1-O 3.02Å; R95-E118 PolarHBondContact NH1-O 3.24Å; R95-M144 HydrophobicContact CB-CE 4.49Å; R95-M144 HydrophobicContact CG-CE 3.96Å; R95-M144 HydrophobicContact CG-SD 3.68Å |
| 96 | P | 90.9 | Very high | 93.1 | Very high | 12 Ų | 12 | 21.4 Ų | 21.4 | 8% | 0.078 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -52.7 | -39.8 | 174.8 | -28.9 | 33.4 | 0 | 0 | 0 | 114.2 | P91 E93 V99 A100 E107 | P91-P96 HydrophobicContact CG-CG 4.18Å; E93-P96 HydrophobicContact CB-CG 4.1Å; E93-P96 WeakPolarHBondContact O-CD 3.42Å; P96-V99 PolarHBondContact O-N 2.89Å; P96-A100 WeakPolarHBondContact O-CB 3.43Å; P96-A100 PolarHBondContact O-N 2.8Å; P96-E107 WeakPolarHBondContact CA-OE2 3.48Å; P96-E107 HydrophobicContact CB-CB 4.3Å; P96-E107 HydrophobicContact CG-CB 4.43Å |
| 97 | G | 94.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E93 S94 R95 A100 L101 | E93-G97 PolarHBondContact O-N 2.68Å; E93-G97 VanDerWaalsContact O-N 3.11Å; S94-G97 PolarHBondContact O-N 3.48Å; R95-G97 VanDerWaalsContact C-N 3.25Å; R95-G97 PolarHBondContact O-N 2.91Å; G97-A100 PolarHBondContact O-N 3.38Å; G97-L101 VanDerWaalsContact O-CG 3.31Å; G97-L101 WeakPolarHBondContact O-CG 3.4Å; G97-L101 PolarHBondContact O-N 3.21Å |
| 98 | H | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.5 | -39.8 | 175.5 | -77.4 | 90.1 | 0 | 0 | 0 | 113 | V50 D52 S94 R95 A100 L101 I102 I141 M144 F145 F207 H209 D262 | V50-H98 WeakPolarHBondContact CG1-NE2 3.48Å; D52-H98 IonicContact OD2-CE1 2.76Å; S94-H98 WeakPolarHBondContact O-CB 3.45Å; S94-H98 PolarHBondContact O-N 2.9Å; S94-H98 PolarHBondContact O-ND1 3.18Å; R95-H98 PolarHBondContact O-N 2.99Å; H98-A100 VanDerWaalsContact C-N 3.34Å; H98-L101 PolarHBondContact O-N 3.29Å; H98-I102 WeakPolarHBondContact O-CB 3.26Å; H98-I102 PolarHBondContact O-N 3.29Å; H98-I141 HydrophobicContact CB-CG2 4.3Å; H98-M144 HydrophobicContact CB-CE 3.85Å; H98-F145 HydrophobicContact CB-CE2 4.12Å; H98-F145 HydrophobicContact CB-CZ 4.06Å; H98-F207 AromaticContact CD2-CZ 3.74Å; H98-F207 AromaticContact NE2-CZ 3.97Å; H98-H209 AromaticContact CE1-CD2 3.47Å; H98-H209 PolarHBondContact CE1-CD2 2.94Å; H98-H209 VanDerWaalsContact CE1-CD2 3.47Å; H98-H209 AromaticContact CE1-NE2 3.42Å; H98-H209 PolarHBondContact CE1-NE2 2.81Å; H98-H209 AromaticContact NE2-CD2 3.12Å; H98-H209 PolarHBondContact NE2-CD2 3.22Å; H98-H209 AromaticContact NE2-NE2 3.61Å; H98-D262 IonicContact CE1-OD2 3.92Å; H98-D262 PolarHBondContact CE1-OD2 3.28Å; H98-D262 IonicContact ND1-OD2 3.26Å; H98-D262 PolarHBondContact ND1-OD2 2.88Å |
| 99 | V | 94.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 175.1 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | R95 P96 L101 A103 G104 F105 E107 F123 M144 F145 | R95-V99 HydrophobicContact CG-CG2 4.45Å; R95-V99 WeakPolarHBondContact O-CG2 3.42Å; R95-V99 PolarHBondContact O-N 3.35Å; P96-V99 PolarHBondContact O-N 2.89Å; V99-L101 PolarHBondContact O-N 2.93Å; V99-A103 HydrophobicContact CG1-CB 4.27Å; V99-A103 CarbonylContact O-C 3.56Å; V99-A103 WeakPolarHBondContact O-CA 3.31Å; V99-A103 VanDerWaalsContact O-CB 3.3Å; V99-A103 WeakPolarHBondContact O-CB 3.44Å; V99-A103 PolarHBondContact O-N 2.84Å; V99-G104 PolarHBondContact O-N 3.02Å; V99-F105 HydrophobicContact CG1-CD1 4.03Å; V99-F105 HydrophobicContact CG1-CD2 4.17Å; V99-F105 HydrophobicContact CG1-CE1 3.48Å; V99-F105 VanDerWaalsContact CG1-CE1 3.48Å; V99-F105 HydrophobicContact CG1-CE2 3.62Å; V99-F105 HydrophobicContact CG1-CG 4.34Å; V99-F105 HydrophobicContact CG1-CZ 3.23Å; V99-E107 HydrophobicContact CB-CG 4.12Å; V99-E107 HydrophobicContact CG1-CG 3.89Å; V99-E107 HydrophobicContact CG2-CG 4.26Å; V99-F123 HydrophobicContact CG1-CE2 4.42Å; V99-F123 HydrophobicContact CG1-CZ 4.36Å; V99-F123 HydrophobicContact CG2-CE1 4.28Å; V99-F123 HydrophobicContact CG2-CE2 4.46Å; V99-F123 HydrophobicContact CG2-CZ 3.79Å; V99-M144 HydrophobicContact CG2-SD 4.04Å; V99-F145 HydrophobicContact CG2-CZ 4.48Å |
| 100 | A | 95.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | P96 G97 H98 G104 F105 Y106 Q321 A322 | P96-A100 WeakPolarHBondContact O-CB 3.43Å; P96-A100 PolarHBondContact O-N 2.8Å; G97-A100 PolarHBondContact O-N 3.38Å; H98-A100 VanDerWaalsContact C-N 3.34Å; A100-G104 WeakPolarHBondContact O-CA 3.32Å; A100-G104 PolarHBondContact O-N 2.85Å; A100-F105 VanDerWaalsContact CA-O 3.24Å; A100-F105 WeakPolarHBondContact CA-O 3.45Å; A100-F105 PolarHBondContact N-O 3.4Å; A100-Y106 HydrophobicContact CB-CD1 4.02Å; A100-Y106 HydrophobicContact CB-CE1 3.99Å; A100-Q321 HydrophobicContact CB-CB 4.33Å; A100-Q321 HydrophobicContact CB-CG 3.99Å; A100-A322 WeakPolarHBondContact O-CA 3.34Å |
| 101 | L | 97.8 | Very high | 87 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 178.9 | -73.1 | 171.7 | 0 | 0 | 0 | 113 | V50 G97 H98 V99 T260 D262 Q321 I324 A325 M328 | V50-L101 HydrophobicContact CG1-CD1 4.1Å; V50-L101 HydrophobicContact CG2-CD1 3.98Å; G97-L101 VanDerWaalsContact O-CG 3.31Å; G97-L101 WeakPolarHBondContact O-CG 3.4Å; G97-L101 PolarHBondContact O-N 3.21Å; H98-L101 PolarHBondContact O-N 3.29Å; V99-L101 PolarHBondContact O-N 2.93Å; L101-T260 HydrophobicContact CD1-CG2 4.02Å; L101-T260 HydrophobicContact CD2-CG2 3.86Å; L101-D262 HydrophobicContact CD1-CB 4.22Å; L101-Q321 HydrophobicContact CD2-CG 3.51Å; L101-Q321 HydrophobicContact CG-CG 3.71Å; L101-I324 HydrophobicContact CD2-CB 4.16Å; L101-I324 HydrophobicContact CD2-CD1 3.36Å; L101-I324 HydrophobicContact CD2-CG1 4.29Å; L101-I324 HydrophobicContact CD2-CG2 4.25Å; L101-A325 WeakPolarHBondContact O-CA 3.36Å; L101-A325 WeakPolarHBondContact O-CB 3.47Å; L101-A325 PolarHBondContact O-N 3.48Å; L101-M328 WeakPolarHBondContact O-CE 3.41Å |
| 102 | I | 97.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -99.4 | -34.2 | -166 | -61.6 | 161.8 | 0 | 0 | 0 | 112.3 | L48 H98 L126 F127 F145 F207 | L48-I102 HydrophobicContact CD2-CD1 4.4Å; L48-I102 HydrophobicContact CD2-CG1 4.01Å; H98-I102 WeakPolarHBondContact O-CB 3.26Å; H98-I102 PolarHBondContact O-N 3.29Å; I102-L126 HydrophobicContact CG2-CB 4.16Å; I102-L126 WeakPolarHBondContact O-CB 3.35Å; I102-L126 PolarHBondContact O-N 3Å; I102-F127 HydrophobicContact CD1-CE1 4.39Å; I102-F127 HydrophobicContact CD1-CE2 3.94Å; I102-F127 HydrophobicContact CD1-CZ 3.58Å; I102-F127 HydrophobicContact CG1-CE1 4.36Å; I102-F127 HydrophobicContact CG1-CZ 4.02Å; I102-F127 HydrophobicContact CG2-CD1 3.84Å; I102-F127 HydrophobicContact CG2-CD2 4.23Å; I102-F127 HydrophobicContact CG2-CE1 3.67Å; I102-F127 HydrophobicContact CG2-CE2 4.08Å; I102-F127 HydrophobicContact CG2-CG 4.09Å; I102-F127 HydrophobicContact CG2-CZ 3.79Å; I102-F145 HydrophobicContact CB-CD1 4.39Å; I102-F145 HydrophobicContact CB-CE1 3.73Å; I102-F145 HydrophobicContact CB-CZ 3.91Å; I102-F145 HydrophobicContact CD1-CD2 4.13Å; I102-F145 HydrophobicContact CD1-CE1 4.1Å; I102-F145 HydrophobicContact CD1-CE2 3.49Å; I102-F145 VanDerWaalsContact CD1-CE2 3.49Å; I102-F145 HydrophobicContact CD1-CZ 3.51Å; I102-F145 HydrophobicContact CG1-CZ 4.25Å; I102-F145 HydrophobicContact CG2-CD1 3.96Å; I102-F145 HydrophobicContact CG2-CE1 3.81Å; I102-F145 HydrophobicContact CG2-CZ 4.34Å; I102-F207 HydrophobicContact CD1-CE1 4.28Å; I102-F207 HydrophobicContact CD1-CZ 4.22Å |
| 103 | A | 95.5 | Very high | 83.9 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -104.9 | -11.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V99 F105 F123 D124 P337 | V99-A103 HydrophobicContact CG1-CB 4.27Å; V99-A103 CarbonylContact O-C 3.56Å; V99-A103 WeakPolarHBondContact O-CA 3.31Å; V99-A103 VanDerWaalsContact O-CB 3.3Å; V99-A103 WeakPolarHBondContact O-CB 3.44Å; V99-A103 PolarHBondContact O-N 2.84Å; A103-F105 HydrophobicContact CB-CD1 3.7Å; A103-F105 HydrophobicContact CB-CE1 3.56Å; A103-F105 PolarHBondContact O-N 3.21Å; A103-F123 HydrophobicContact CB-CD2 3.78Å; A103-F123 HydrophobicContact CB-CE2 3.86Å; A103-D124 WeakPolarHBondContact CB-O 3.43Å; A103-P337 WeakPolarHBondContact O-CB 3.48Å |
| 104 | G | 96.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | 77.2 | 16 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V99 A100 A322 A325 S340 V341 G342 | V99-G104 PolarHBondContact O-N 3.02Å; A100-G104 WeakPolarHBondContact O-CA 3.32Å; A100-G104 PolarHBondContact O-N 2.85Å; G104-A322 WeakPolarHBondContact O-CB 3.33Å; G104-A325 VanDerWaalsContact CA-CB 3.47Å; G104-S340 CarbonylContact O-C 3.6Å; G104-S340 WeakPolarHBondContact O-CA 3.18Å; G104-V341 WeakPolarHBondContact O-CG2 3.16Å; G104-V341 PolarHBondContact O-N 3.31Å; G104-G342 PolarHBondContact O-N 2.91Å | ||
| 105 | F | 93.7 | Very high | 80.3 | Confident | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | trans | -131.5 | 156.5 | 177.2 | 76.3 | -89.3 | 0 | 0 | 0 | 112.5 | P27 L28 V99 A100 A103 E107 F123 N339 | P27-F105 HydrophobicContact CG-CD2 3.93Å; P27-F105 HydrophobicContact CG-CE2 4.2Å; L28-F105 HydrophobicContact CD2-CD1 4.31Å; L28-F105 HydrophobicContact CD2-CD2 4.22Å; L28-F105 HydrophobicContact CD2-CE1 3.87Å; L28-F105 HydrophobicContact CD2-CE2 3.78Å; L28-F105 HydrophobicContact CD2-CG 4.48Å; L28-F105 HydrophobicContact CD2-CZ 3.59Å; L28-F105 HydrophobicContact CG-CE2 4.42Å; L28-F105 HydrophobicContact CG-CZ 4.47Å; V99-F105 HydrophobicContact CG1-CD1 4.03Å; V99-F105 HydrophobicContact CG1-CD2 4.17Å; V99-F105 HydrophobicContact CG1-CE1 3.48Å; V99-F105 VanDerWaalsContact CG1-CE1 3.48Å; V99-F105 HydrophobicContact CG1-CE2 3.62Å; V99-F105 HydrophobicContact CG1-CG 4.34Å; V99-F105 HydrophobicContact CG1-CZ 3.23Å; A100-F105 VanDerWaalsContact CA-O 3.24Å; A100-F105 WeakPolarHBondContact CA-O 3.45Å; A100-F105 PolarHBondContact N-O 3.4Å; A103-F105 HydrophobicContact CB-CD1 3.7Å; A103-F105 HydrophobicContact CB-CE1 3.56Å; A103-F105 PolarHBondContact O-N 3.21Å; F105-E107 HydrophobicContact CE2-CG 4.12Å; F105-F123 HydrophobicContact CE1-CB 3.89Å; F105-F123 HydrophobicContact CE1-CD1 4.43Å; F105-F123 AromaticContact CE1-CD2 3.75Å; F105-F123 HydrophobicContact CE1-CD2 3.75Å; F105-F123 HydrophobicContact CE1-CE2 4.42Å; F105-F123 AromaticContact CE1-CG 3.76Å; F105-F123 HydrophobicContact CE1-CG 3.76Å; F105-F123 HydrophobicContact CZ-CB 4Å; F105-F123 HydrophobicContact CZ-CD1 4Å; F105-F123 HydrophobicContact CZ-CD2 4.13Å; F105-F123 AromaticContact CZ-CG 3.77Å; F105-F123 HydrophobicContact CZ-CG 3.77Å; F105-N339 WeakPolarHBondContact CB-O 3.22Å; F105-N339 HydrophobicContact CD1-CB 4.18Å | ||
| 106 | Y | 90.8 | Very high | 78.5 | Confident | 35 Ų | 35 | 31.8 Ų | 31.8 | 14% | 0.137 | 17% | 0.17 | C | C | . | . | P | Polyproline II helix | trans | -94.8 | 122.1 | 179.6 | -60.1 | -73.4 | 0 | 0 | 0 | 109.9 | R89 A100 N320 A322 V341 | R89-Y106 HydrophobicContact CB-CD1 3.85Å; R89-Y106 HydrophobicContact CB-CE1 3.97Å; R89-Y106 HydrophobicContact CG-CD1 3.86Å; R89-Y106 HydrophobicContact CG-CE1 3.56Å; R89-Y106 HydrophobicContact CG-CG 4.46Å; R89-Y106 VanDerWaalsContact NH1-CD2 3.31Å; A100-Y106 HydrophobicContact CB-CD1 4.02Å; A100-Y106 HydrophobicContact CB-CE1 3.99Å; Y106-N320 WeakPolarHBondContact OH-CB 3.31Å; Y106-A322 HydrophobicContact CE1-CB 4.35Å; Y106-A322 HydrophobicContact CE2-CB 3.67Å; Y106-A322 PolarHBondContact OH-N 2.86Å; Y106-V341 HydrophobicContact CD2-CG2 4.03Å; Y106-V341 HydrophobicContact CE2-CG2 4.11Å |
| 107 | E | 81.8 | Confident | 76.6 | Confident | 13 Ų | 13 | 37.1 Ų | 37.1 | 6% | 0.061 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 141.4 | 172.1 | -67.4 | -164 | 102.8 | 0 | 0 | 110.8 | R95 P96 V99 F105 A111 N119 | R95-E107 IonicContact CZ-OE1 3.6Å; R95-E107 IonicContact CZ-OE2 3.7Å; R95-E107 IonicContact NE-OE1 3.63Å; R95-E107 PolarHBondContact NE-OE1 3.41Å; R95-E107 IonicContact NE-OE2 2.99Å; R95-E107 PolarHBondContact NE-OE2 3.43Å; R95-E107 IonicContact NH2-OE1 3.38Å; R95-E107 PolarHBondContact NH2-OE1 3.02Å; R95-E107 IonicContact NH2-OE2 2.75Å; R95-E107 PolarHBondContact NH2-OE2 3.45Å; P96-E107 WeakPolarHBondContact CA-OE2 3.48Å; P96-E107 HydrophobicContact CB-CB 4.3Å; P96-E107 HydrophobicContact CG-CB 4.43Å; V99-E107 HydrophobicContact CB-CG 4.12Å; V99-E107 HydrophobicContact CG1-CG 3.89Å; V99-E107 HydrophobicContact CG2-CG 4.26Å; F105-E107 HydrophobicContact CE2-CG 4.12Å; E107-A111 HydrophobicContact CB-CB 4.48Å; E107-N119 PolarHBondContact OE1-ND2 2.74Å |
| 108 | D | 72.2 | Confident | 74.7 | Confident | 37 Ų | 37 | 42 Ų | 42 | 20% | 0.198 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -88 | 154.6 | 174.3 | -179.5 | -94.3 | 0 | 0 | 0 | 110.7 | F24 S110 A111 | F24-D108 VanDerWaalsContact CA-OD1 3.23Å; F24-D108 WeakPolarHBondContact CA-OD1 3.47Å; F24-D108 WeakPolarHBondContact CB-OD1 3.5Å; D108-S110 PolarHBondContact O-N 3.31Å; D108-S110 VanDerWaalsContact OD1-CB 3.24Å; D108-S110 WeakPolarHBondContact OD1-CB 3.37Å; D108-S110 PolarHBondContact OD1-N 3.11Å; D108-S110 PolarHBondContact OD1-OG 3.27Å; D108-A111 VanDerWaalsContact O-CB 3.32Å; D108-A111 WeakPolarHBondContact O-CB 3.13Å; D108-A111 PolarHBondContact O-N 2.88Å |
| 109 | V | 65.8 | Low | 72.7 | Confident | 61 Ų | 61 | 43.4 Ų | 43.4 | 37% | 0.37 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.4 | -27.4 | -179.4 | -174.8 | 0 | 0 | 0 | 0 | 112 | F24 A111 V112 A113 | F24-V109 HydrophobicContact CD1-CB 3.79Å; F24-V109 HydrophobicContact CD1-CG2 4.06Å; F24-V109 HydrophobicContact CE1-CB 3.76Å; F24-V109 HydrophobicContact CE1-CG2 3.64Å; F24-V109 HydrophobicContact CG-CB 4.34Å; F24-V109 HydrophobicContact CZ-CB 4.3Å; F24-V109 HydrophobicContact CZ-CG2 4.29Å; V109-A111 PolarHBondContact O-N 3.24Å; V109-V112 PolarHBondContact O-N 2.77Å; V109-V112 VanDerWaalsContact O-N 3.13Å; V109-A113 PolarHBondContact O-N 2.88Å |
| 110 | S | 59.9 | Low | 70.9 | Confident | 19 Ų | 19 | 46.9 Ų | 46.9 | 13% | 0.133 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.2 | -27.6 | 173.1 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | D108 K114 | D108-S110 PolarHBondContact O-N 3.31Å; D108-S110 VanDerWaalsContact OD1-CB 3.24Å; D108-S110 WeakPolarHBondContact OD1-CB 3.37Å; D108-S110 PolarHBondContact OD1-N 3.11Å; D108-S110 PolarHBondContact OD1-OG 3.27Å; S110-K114 PolarHBondContact O-N 2.83Å |
| 111 | A | 59.1 | Low | 69.4 | Low | 14 Ų | 14 | 49.2 Ų | 49.2 | 12% | 0.116 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.7 | -31.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | R95 E107 D108 V109 G115 | R95-A111 VanDerWaalsContact NH2-C 3.33Å; R95-A111 PolarHBondContact NH2-O 2.9Å; E107-A111 HydrophobicContact CB-CB 4.48Å; D108-A111 VanDerWaalsContact O-CB 3.32Å; D108-A111 WeakPolarHBondContact O-CB 3.13Å; D108-A111 PolarHBondContact O-N 2.88Å; V109-A111 PolarHBondContact O-N 3.24Å; A111-G115 PolarHBondContact O-N 3.14Å |
| 112 | V | 57.8 | Low | 68.4 | Low | 34 Ų | 34 | 56.1 Ų | 56.1 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -72.3 | -36.7 | 175.8 | -179 | 0 | 0 | 0 | 0 | 110.8 | V109 K114 G115 W116 | V109-V112 PolarHBondContact O-N 2.77Å; V109-V112 VanDerWaalsContact O-N 3.13Å; V112-K114 PolarHBondContact O-N 3.3Å; V112-G115 CarbonylContact O-C 3.54Å; V112-G115 PolarHBondContact O-N 3.08Å; V112-W116 HydrophobicContact CG1-CD2 4.46Å; V112-W116 HydrophobicContact CG1-CG 4.47Å; V112-W116 HydrophobicContact CG1-CZ2 4.42Å |
| 113 | A | 53.5 | Low | 67.9 | Low | 77 Ų | 77 | 57 Ų | 57 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65.2 | -24.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V109 | V109-A113 PolarHBondContact O-N 2.88Å |
| 114 | K | 54 | Low | 67.7 | Low | 152 Ų | 152 | 57.9 Ų | 57.9 | 66% | 0.661 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -93.5 | -13.9 | 179.6 | -68.7 | 179.2 | -178 | 177.7 | 0 | 113.8 | S110 V112 P120 | S110-K114 PolarHBondContact O-N 2.83Å; V112-K114 PolarHBondContact O-N 3.3Å; K114-P120 HydrophobicContact CB-CB 4.41Å; K114-P120 HydrophobicContact CB-CG 3.7Å; K114-P120 HydrophobicContact CD-CG 4.02Å |
| 115 | G | 51.9 | Low | 67.6 | Low | 23 Ų | 23 | 57.9 Ų | 57.9 | 24% | 0.237 | 30% | 0.299 | C | S | . | . | trans | 175.3 | 133.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R95 A111 V112 | R95-G115 PolarHBondContact NH1-O 3.02Å; A111-G115 PolarHBondContact O-N 3.14Å; V112-G115 CarbonylContact O-C 3.54Å; V112-G115 PolarHBondContact O-N 3.08Å | ||
| 116 | W | 51 | Low | 67.7 | Low | 186 Ų | 186 | 57.7 Ų | 57.7 | 71% | 0.705 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -81.8 | -37.6 | 176.7 | -98.6 | 67.7 | 0 | 0 | 0 | 112.5 | V112 | V112-W116 HydrophobicContact CG1-CD2 4.46Å; V112-W116 HydrophobicContact CG1-CG 4.47Å; V112-W116 HydrophobicContact CG1-CZ2 4.42Å |
| 117 | K | 50.2 | Low | 67.9 | Low | 123 Ų | 123 | 56.1 Ų | 56.1 | 54% | 0.535 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -96.6 | -26 | -175 | -68.2 | -171 | 167.8 | -116.3 | 0 | 114.8 | D140 | K117-D140 VanDerWaalsContact NZ-CG 3.3Å; K117-D140 IonicContact NZ-OD1 3.81Å; K117-D140 PolarHBondContact NZ-OD1 3.4Å; K117-D140 IonicContact NZ-OD2 2.57Å; K117-D140 PolarHBondContact NZ-OD2 2.94Å |
| 118 | E | 53.8 | Low | 68.4 | Low | 104 Ų | 104 | 56.4 Ų | 56.4 | 49% | 0.486 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -131.4 | 139.1 | -177 | -61.5 | -164.9 | 161.4 | 0 | 0 | 111.1 | R95 P120 K147 | R95-E118 PolarHBondContact NH1-O 3.24Å; E118-P120 WeakPolarHBondContact O-CD 3.36Å; E118-K147 IonicContact OE1-NZ 2.67Å; E118-K147 PolarHBondContact OE1-NZ 2.89Å; E118-K147 IonicContact OE2-NZ 3.75Å; E118-K147 PolarHBondContact OE2-NZ 3.12Å |
| 119 | N | 53.7 | Low | 69.4 | Low | 29 Ų | 29 | 56.8 Ų | 56.8 | 16% | 0.155 | 30% | 0.295 | C | S | . | . | trans | -74.9 | 123.1 | 169.8 | -172.3 | -29.9 | 0 | 0 | 0 | 108.4 | E107 V121 F123 | E107-N119 PolarHBondContact OE1-ND2 2.74Å; N119-V121 PolarHBondContact O-N 3.41Å; N119-V121 PolarHBondContact OD1-N 3.24Å; N119-V121 PolarHBondContact OD1-O 3.4Å; N119-V121 VanDerWaalsContact OD1-O 3.13Å; N119-F123 HydrophobicContact CB-CE1 4.07Å | ||
| 120 | P | 57.5 | Low | 70.8 | Confident | 74 Ų | 74 | 54.1 Ų | 54.1 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -72.5 | -9.2 | -178.8 | 31.8 | -39.8 | 0 | 0 | 0 | 114 | K114 E118 | K114-P120 HydrophobicContact CB-CB 4.41Å; K114-P120 HydrophobicContact CB-CG 3.7Å; K114-P120 HydrophobicContact CD-CG 4.02Å; E118-P120 WeakPolarHBondContact O-CD 3.36Å |
| 121 | V | 64.8 | Low | 72.5 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 30% | 0.297 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -121.2 | 125.8 | -177.6 | -172.7 | 0 | 0 | 0 | 0 | 109.6 | L28 N119 | L28-V121 HydrophobicContact CD1-CB 3.93Å; L28-V121 HydrophobicContact CD1-CG1 3.56Å; N119-V121 PolarHBondContact O-N 3.41Å; N119-V121 PolarHBondContact OD1-N 3.24Å; N119-V121 PolarHBondContact OD1-O 3.4Å; N119-V121 VanDerWaalsContact OD1-O 3.13Å |
| 122 | E | 76.9 | Confident | 74.3 | Confident | 145 Ų | 145 | 58.7 Ų | 58.7 | 68% | 0.678 | 29% | 0.293 | S | S | * | . | trans | -64.3 | 138 | 174.9 | -66 | 176.3 | 179.1 | 0 | 0 | 110.8 | ||||
| 123 | F | 86.6 | Confident | 76.2 | Confident | 18 Ų | 18 | 57 Ų | 57 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | trans | -136.6 | 155.2 | 177.1 | 58.6 | -95.7 | 0 | 0 | 0 | 110.4 | L28 V99 A103 F105 N119 F145 | L28-F123 HydrophobicContact CD1-CB 4.12Å; L28-F123 HydrophobicContact CD2-CB 3.95Å; V99-F123 HydrophobicContact CG1-CE2 4.42Å; V99-F123 HydrophobicContact CG1-CZ 4.36Å; V99-F123 HydrophobicContact CG2-CE1 4.28Å; V99-F123 HydrophobicContact CG2-CE2 4.46Å; V99-F123 HydrophobicContact CG2-CZ 3.79Å; A103-F123 HydrophobicContact CB-CD2 3.78Å; A103-F123 HydrophobicContact CB-CE2 3.86Å; F105-F123 HydrophobicContact CE1-CB 3.89Å; F105-F123 HydrophobicContact CE1-CD1 4.43Å; F105-F123 AromaticContact CE1-CD2 3.75Å; F105-F123 HydrophobicContact CE1-CD2 3.75Å; F105-F123 HydrophobicContact CE1-CE2 4.42Å; F105-F123 AromaticContact CE1-CG 3.76Å; F105-F123 HydrophobicContact CE1-CG 3.76Å; F105-F123 HydrophobicContact CZ-CB 4Å; F105-F123 HydrophobicContact CZ-CD1 4Å; F105-F123 HydrophobicContact CZ-CD2 4.13Å; F105-F123 AromaticContact CZ-CG 3.77Å; F105-F123 HydrophobicContact CZ-CG 3.77Å; N119-F123 HydrophobicContact CB-CE1 4.07Å; F123-F145 AromaticContact CE2-CD1 3.97Å; F123-F145 HydrophobicContact CE2-CD1 3.97Å; F123-F145 AromaticContact CE2-CE1 3.8Å; F123-F145 HydrophobicContact CE2-CE1 3.8Å; F123-F145 HydrophobicContact CZ-CD1 4.27Å; F123-F145 HydrophobicContact CZ-CE1 4.05Å | ||
| 124 | D | 90.8 | Very high | 78.3 | Confident | 19 Ų | 19 | 53.6 Ų | 53.6 | 10% | 0.102 | 25% | 0.253 | C | S | . | . | trans | -82.3 | 147.7 | 174.1 | 179.2 | 43.8 | 0 | 0 | 0 | 111.1 | A103 N128 P337 L338 | A103-D124 WeakPolarHBondContact CB-O 3.43Å; D124-N128 VanDerWaalsContact OD1-CB 3.27Å; D124-N128 WeakPolarHBondContact OD1-CB 3.38Å; D124-P337 VanDerWaalsContact OD2-CA 3.29Å; D124-P337 WeakPolarHBondContact OD2-CA 3.4Å; D124-L338 HydrophobicContact CB-CB 3.99Å; D124-L338 HydrophobicContact CB-CD1 4.04Å; D124-L338 HydrophobicContact CB-CG 4.02Å; D124-L338 WeakPolarHBondContact OD2-CG 3.35Å; D124-L338 PolarHBondContact OD2-N 3.29Å | ||
| 125 | S | 93.9 | Very high | 80.3 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -150.6 | 169.2 | -176.1 | 87.3 | 0 | 0 | 0 | 0 | 111.4 | F127 N128 E129 | S125-F127 PolarHBondContact O-N 3.44Å; S125-F127 VanDerWaalsContact O-N 3.08Å; S125-F127 PolarHBondContact OG-N 3.15Å; S125-N128 WeakPolarHBondContact CB-OD1 3.41Å; S125-N128 PolarHBondContact N-OD1 3.5Å; S125-N128 VanDerWaalsContact N-OD1 3.16Å; S125-N128 WeakPolarHBondContact O-CB 3.47Å; S125-N128 PolarHBondContact O-N 3.36Å; S125-N128 VanDerWaalsContact O-N 3.1Å; S125-N128 PolarHBondContact OG-OD1 2.86Å; S125-E129 PolarHBondContact O-N 2.74Å | ||
| 126 | L | 95.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -51.5 | -35.5 | 175.5 | -174.4 | 81.5 | 0 | 0 | 0 | 112.7 | L46 I102 E129 S130 V205 M328 A329 I332 V334 | L46-L126 HydrophobicContact CD2-CD2 3.75Å; I102-L126 HydrophobicContact CG2-CB 4.16Å; I102-L126 WeakPolarHBondContact O-CB 3.35Å; I102-L126 PolarHBondContact O-N 3Å; L126-E129 PolarHBondContact O-N 2.88Å; L126-S130 PolarHBondContact O-N 3.39Å; L126-S130 VanDerWaalsContact O-N 3.1Å; L126-V205 HydrophobicContact CD2-CG1 4.39Å; L126-V205 HydrophobicContact CD2-CG2 4.07Å; L126-V205 HydrophobicContact CG-CG2 4.43Å; L126-M328 HydrophobicContact CD1-CB 3.84Å; L126-M328 HydrophobicContact CD2-CB 3.65Å; L126-M328 HydrophobicContact CD2-CE 3.91Å; L126-M328 HydrophobicContact CD2-CG 4.29Å; L126-M328 HydrophobicContact CD2-SD 3.82Å; L126-M328 HydrophobicContact CG-CB 4.38Å; L126-A329 HydrophobicContact CD1-CB 3.99Å; L126-I332 HydrophobicContact CD1-CD1 4.36Å; L126-V334 HydrophobicContact CD1-CG2 3.62Å |
| 127 | F | 95.3 | Very high | 84.7 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.2 | -37 | -176.3 | -60.6 | -7.7 | 0 | 0 | 0 | 111.6 | I102 S125 E129 S130 T133 F145 V154 V205 F207 | I102-F127 HydrophobicContact CD1-CE1 4.39Å; I102-F127 HydrophobicContact CD1-CE2 3.94Å; I102-F127 HydrophobicContact CD1-CZ 3.58Å; I102-F127 HydrophobicContact CG1-CE1 4.36Å; I102-F127 HydrophobicContact CG1-CZ 4.02Å; I102-F127 HydrophobicContact CG2-CD1 3.84Å; I102-F127 HydrophobicContact CG2-CD2 4.23Å; I102-F127 HydrophobicContact CG2-CE1 3.67Å; I102-F127 HydrophobicContact CG2-CE2 4.08Å; I102-F127 HydrophobicContact CG2-CG 4.09Å; I102-F127 HydrophobicContact CG2-CZ 3.79Å; S125-F127 PolarHBondContact O-N 3.44Å; S125-F127 VanDerWaalsContact O-N 3.08Å; S125-F127 PolarHBondContact OG-N 3.15Å; F127-E129 VanDerWaalsContact C-N 3.27Å; F127-E129 PolarHBondContact O-N 3.18Å; F127-S130 WeakPolarHBondContact O-CB 3.46Å; F127-S130 PolarHBondContact O-N 3.2Å; F127-S130 PolarHBondContact O-OG 2.83Å; F127-T133 HydrophobicContact CB-CG2 4.19Å; F127-T133 HydrophobicContact CD1-CG2 3.97Å; F127-T133 HydrophobicContact CD2-CG2 3.95Å; F127-T133 HydrophobicContact CE1-CG2 4.39Å; F127-T133 HydrophobicContact CE2-CG2 4.36Å; F127-T133 HydrophobicContact CG-CG2 3.77Å; F127-F145 HydrophobicContact CD2-CB 3.54Å; F127-F145 HydrophobicContact CD2-CD2 4.46Å; F127-F145 AromaticContact CD2-CG 3.96Å; F127-F145 HydrophobicContact CD2-CG 3.96Å; F127-F145 HydrophobicContact CE2-CB 4.03Å; F127-F145 HydrophobicContact CE2-CD2 4.11Å; F127-F145 HydrophobicContact CE2-CG 4.05Å; F127-V154 HydrophobicContact CB-CG2 4.2Å; F127-V205 HydrophobicContact CD1-CG1 3.96Å; F127-V205 HydrophobicContact CE1-CG1 3.69Å; F127-F207 HydrophobicContact CE1-CB 4.3Å; F127-F207 HydrophobicContact CE2-CB 4.26Å; F127-F207 AromaticContact CE2-CD1 3.7Å; F127-F207 HydrophobicContact CE2-CD1 3.7Å; F127-F207 HydrophobicContact CE2-CE1 4.38Å; F127-F207 HydrophobicContact CE2-CG 4.16Å; F127-F207 HydrophobicContact CZ-CB 3.63Å; F127-F207 AromaticContact CZ-CD1 3.64Å; F127-F207 HydrophobicContact CZ-CD1 3.64Å; F127-F207 HydrophobicContact CZ-CD2 4.39Å; F127-F207 HydrophobicContact CZ-CE1 4.42Å; F127-F207 AromaticContact CZ-CG 3.63Å; F127-F207 HydrophobicContact CZ-CG 3.63Å |
| 128 | N | 92.4 | Very high | 86.6 | Confident | 19 Ų | 19 | 30.9 Ų | 30.9 | 10% | 0.102 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -35.5 | 175.5 | -55.7 | 69.6 | 0 | 0 | 0 | 111.7 | D124 S125 G148 A149 H153 | D124-N128 VanDerWaalsContact OD1-CB 3.27Å; D124-N128 WeakPolarHBondContact OD1-CB 3.38Å; S125-N128 WeakPolarHBondContact CB-OD1 3.41Å; S125-N128 PolarHBondContact N-OD1 3.5Å; S125-N128 VanDerWaalsContact N-OD1 3.16Å; S125-N128 WeakPolarHBondContact O-CB 3.47Å; S125-N128 PolarHBondContact O-N 3.36Å; S125-N128 VanDerWaalsContact O-N 3.1Å; S125-N128 PolarHBondContact OG-OD1 2.86Å; N128-G148 PolarHBondContact ND2-O 2.89Å; N128-A149 VanDerWaalsContact ND2-CA 3.33Å; N128-A149 WeakPolarHBondContact ND2-CA 3.32Å; N128-A149 PolarHBondContact ND2-N 3.26Å; N128-H153 PolarHBondContact O-NE2 3.23Å |
| 129 | E | 93.1 | Very high | 88.3 | Confident | 44 Ų | 44 | 27.3 Ų | 27.3 | 21% | 0.206 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -87.7 | -8.5 | -177.7 | -66.4 | -61 | 156.7 | 0 | 0 | 113.2 | S125 L126 F127 V334 P335 | S125-E129 PolarHBondContact O-N 2.74Å; L126-E129 PolarHBondContact O-N 2.88Å; F127-E129 VanDerWaalsContact C-N 3.27Å; F127-E129 PolarHBondContact O-N 3.18Å; E129-V334 HydrophobicContact CB-CB 4.04Å; E129-V334 HydrophobicContact CB-CG2 4.31Å; E129-V334 WeakPolarHBondContact O-CB 3.34Å; E129-V334 WeakPolarHBondContact O-CG1 3.35Å; E129-P335 HydrophobicContact CG-CB 4.19Å; E129-P335 WeakPolarHBondContact OE2-CB 3.09Å; E129-P335 WeakPolarHBondContact OE2-CD 3.43Å; E129-P335 WeakPolarHBondContact OE2-CG 3.31Å |
| 130 | S | 94.8 | Very high | 89.8 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 4% | 0.035 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -75.9 | 158.3 | 176.5 | 80 | 0 | 0 | 0 | 0 | 112.2 | L126 F127 T133 H153 K203 | L126-S130 PolarHBondContact O-N 3.39Å; L126-S130 VanDerWaalsContact O-N 3.1Å; F127-S130 WeakPolarHBondContact O-CB 3.46Å; F127-S130 PolarHBondContact O-N 3.2Å; F127-S130 PolarHBondContact O-OG 2.83Å; S130-T133 PolarHBondContact OG-OG1 2.87Å; S130-H153 PolarHBondContact O-CD2 3.43Å; S130-H153 VanDerWaalsContact O-CD2 3.3Å; S130-K203 WeakPolarHBondContact CB-O 3.46Å |
| 131 | K | 95.3 | Very high | 91.3 | Very high | 84 Ų | 84 | 25.4 Ų | 25.4 | 37% | 0.365 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -76.7 | -40.5 | 172.4 | -175 | 165.7 | 175.9 | 178.2 | 0 | 111.7 | E201 E202 K203 | K131-E201 HydrophobicContact CD-CB 4.16Å; K131-E201 IonicContact NZ-OE1 3.3Å; K131-E201 PolarHBondContact NZ-OE1 3.35Å; K131-E201 IonicContact NZ-OE2 2.67Å; K131-E201 PolarHBondContact NZ-OE2 2.95Å; K131-E202 WeakPolarHBondContact CB-O 3.23Å; K131-K203 HydrophobicContact CB-CB 4.03Å; K131-K203 PolarHBondContact N-O 3.45Å |
| 132 | Y | 97 | Very high | 92.6 | Very high | 45 Ų | 45 | 23.2 Ų | 23.2 | 18% | 0.176 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 137.2 | 171.7 | -65.8 | -65.6 | 0 | 0 | 0 | 109.8 | W134 H153 Y155 K198 E201 V204 V205 | Y132-W134 VanDerWaalsContact CB-CH2 3.45Å; Y132-W134 VanDerWaalsContact CB-CZ3 3.49Å; Y132-W134 HydrophobicContact CD2-CH2 4.14Å; Y132-W134 AromaticContact CG-CH2 3.81Å; Y132-W134 HydrophobicContact CG-CH2 3.81Å; Y132-W134 HydrophobicContact CG-CZ2 4.35Å; Y132-W134 HydrophobicContact CG-CZ3 4.33Å; Y132-H153 WeakPolarHBondContact CA-O 3.34Å; Y132-H153 HydrophobicContact CD1-CB 4.14Å; Y132-H153 HydrophobicContact CE1-CB 4.45Å; Y132-Y155 HydrophobicContact CD1-CE2 4.01Å; Y132-K198 HydrophobicContact CD2-CB 4.14Å; Y132-K198 HydrophobicContact CE1-CD 4.14Å; Y132-K198 HydrophobicContact CE1-CG 4.43Å; Y132-K198 HydrophobicContact CE2-CB 3.95Å; Y132-K198 HydrophobicContact CE2-CG 3.93Å; Y132-E201 HydrophobicContact CD2-CB 4.41Å; Y132-E201 HydrophobicContact CE2-CB 4.48Å; Y132-E201 HydrophobicContact CE2-CG 4.24Å; Y132-V204 WeakPolarHBondContact O-CA 3.22Å; Y132-V205 PolarHBondContact O-N 3.41Å |
| 133 | T | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 130.7 | 169.4 | -67.8 | 0 | 0 | 0 | 0 | 109.8 | F127 S130 H153 V154 Y155 V205 | F127-T133 HydrophobicContact CB-CG2 4.19Å; F127-T133 HydrophobicContact CD1-CG2 3.97Å; F127-T133 HydrophobicContact CD2-CG2 3.95Å; F127-T133 HydrophobicContact CE1-CG2 4.39Å; F127-T133 HydrophobicContact CE2-CG2 4.36Å; F127-T133 HydrophobicContact CG-CG2 3.77Å; S130-T133 PolarHBondContact OG-OG1 2.87Å; T133-H153 PolarHBondContact N-O 3.46Å; T133-V154 HydrophobicContact CG2-CG1 4.26Å; T133-Y155 PolarHBondContact O-N 3.46Å; T133-V205 VanDerWaalsContact CA-O 3.3Å; T133-V205 WeakPolarHBondContact CA-O 3.31Å; T133-V205 HydrophobicContact CG2-CB 4.34Å; T133-V205 HydrophobicContact CG2-CG1 4.46Å |
| 134 | W | 97.9 | Very high | 93.1 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.015 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.4 | 165.1 | -66.1 | -88.3 | 0 | 0 | 0 | 109.3 | Y132 W136 Y155 F185 L195 K198 V199 V204 V205 F206 F207 | Y132-W134 VanDerWaalsContact CB-CH2 3.45Å; Y132-W134 VanDerWaalsContact CB-CZ3 3.49Å; Y132-W134 HydrophobicContact CD2-CH2 4.14Å; Y132-W134 AromaticContact CG-CH2 3.81Å; Y132-W134 HydrophobicContact CG-CH2 3.81Å; Y132-W134 HydrophobicContact CG-CZ2 4.35Å; Y132-W134 HydrophobicContact CG-CZ3 4.33Å; W134-W136 HydrophobicContact CB-CH2 3.39Å; W134-W136 HydrophobicContact CB-CZ2 3.92Å; W134-W136 HydrophobicContact CB-CZ3 3.8Å; W134-W136 HydrophobicContact CG-CH2 4.33Å; W134-W136 WeakPolarHBondContact O-CZ3 3.46Å; W134-Y155 AromaticContact CD1-CD2 3.62Å; W134-Y155 AromaticContact CD1-CG 3.97Å; W134-Y155 HydrophobicContact CD2-CD2 4.33Å; W134-Y155 AromaticContact CE2-CD2 3.75Å; W134-Y155 HydrophobicContact CG-CD2 4.25Å; W134-Y155 HydrophobicContact CZ2-CD2 4.33Å; W134-Y155 HydrophobicContact CZ2-CE2 4.19Å; W134-Y155 AromaticContact NE1-CD2 3.25Å; W134-Y155 AromaticContact NE1-CE2 3.82Å; W134-Y155 AromaticContact NE1-CG 3.89Å; W134-F185 AromaticContact CD1-CE2 3.43Å; W134-F185 VanDerWaalsContact CD1-CE2 3.43Å; W134-F185 AromaticContact CD1-CZ 3.62Å; W134-F185 HydrophobicContact CD2-CE2 4.35Å; W134-F185 AromaticContact CD2-CZ 3.74Å; W134-F185 HydrophobicContact CD2-CZ 3.74Å; W134-F185 AromaticContact CE2-CZ 3.67Å; W134-F185 HydrophobicContact CE3-CZ 4.45Å; W134-F185 AromaticContact CG-CE2 3.98Å; W134-F185 HydrophobicContact CG-CE2 3.98Å; W134-F185 AromaticContact CG-CZ 3.73Å; W134-F185 HydrophobicContact CG-CZ 3.73Å; W134-F185 HydrophobicContact CZ2-CZ 4.35Å; W134-F185 AromaticContact NE1-CE2 3.52Å; W134-F185 AromaticContact NE1-CZ 3.59Å; W134-L195 HydrophobicContact CZ2-CD1 4.04Å; W134-K198 HydrophobicContact CH2-CB 3.88Å; W134-K198 HydrophobicContact CZ2-CB 4.01Å; W134-V199 HydrophobicContact CE3-CG1 4.4Å; W134-V199 HydrophobicContact CH2-CB 4.32Å; W134-V199 HydrophobicContact CH2-CG1 3.62Å; W134-V199 HydrophobicContact CZ2-CG1 3.89Å; W134-V199 HydrophobicContact CZ3-CB 4.42Å; W134-V199 HydrophobicContact CZ3-CG1 3.88Å; W134-V204 HydrophobicContact CE3-CG1 3.96Å; W134-V204 HydrophobicContact CZ3-CG1 3.55Å; W134-V204 HydrophobicContact CZ3-CG2 4.37Å; W134-V205 PolarHBondContact N-O 3.32Å; W134-F206 HydrophobicContact CB-CD1 4.11Å; W134-F206 HydrophobicContact CB-CE1 4.4Å; W134-F206 HydrophobicContact CD2-CE1 4.2Å; W134-F206 HydrophobicContact CE3-CD1 4.16Å; W134-F206 AromaticContact CE3-CE1 3.56Å; W134-F206 HydrophobicContact CE3-CE1 3.56Å; W134-F206 AromaticContact CE3-CZ 3.98Å; W134-F206 HydrophobicContact CE3-CZ 3.98Å; W134-F206 HydrophobicContact CZ3-CE1 4.23Å; W134-F206 HydrophobicContact CZ3-CZ 4.22Å; W134-F206 CarbonylContact O-C 3.38Å; W134-F206 WeakPolarHBondContact O-CA 3.44Å; W134-F207 PolarHBondContact O-N 3.08Å |
| 135 | S | 97.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.014 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 139.3 | -174.6 | 59.2 | 0 | 0 | 0 | 0 | 112.1 | Y155 T156 Y157 F207 | S135-Y155 PolarHBondContact N-O 3.48Å; S135-Y155 PolarHBondContact OG-O 3.19Å; S135-T156 WeakPolarHBondContact OG-CA 3.39Å; S135-T156 WeakPolarHBondContact OG-CG2 3.45Å; S135-Y157 PolarHBondContact O-N 2.98Å; S135-F207 CarbonylContact C-O 3.59Å; S135-F207 VanDerWaalsContact CA-O 3.25Å; S135-F207 WeakPolarHBondContact CA-O 3.36Å |
| 136 | W | 98 | Very high | 92.4 | Very high | 3 Ų | 3 | 18.8 Ų | 18.8 | 1% | 0.011 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 135 | -179.9 | -61.1 | -93.2 | 0 | 0 | 0 | 111.5 | W134 Y157 V178 V182 F185 F206 F207 L208 H209 | W134-W136 HydrophobicContact CB-CH2 3.39Å; W134-W136 HydrophobicContact CB-CZ2 3.92Å; W134-W136 HydrophobicContact CB-CZ3 3.8Å; W134-W136 HydrophobicContact CG-CH2 4.33Å; W134-W136 WeakPolarHBondContact O-CZ3 3.46Å; W136-Y157 VanDerWaalsContact CA-O 3.3Å; W136-Y157 WeakPolarHBondContact CA-O 3.48Å; W136-Y157 VanDerWaalsContact CD1-CB 3.44Å; W136-Y157 AromaticContact CD1-CD2 3.89Å; W136-Y157 AromaticContact CD1-CG 3.89Å; W136-Y157 AromaticContact CE2-CD2 3.94Å; W136-Y157 HydrophobicContact CZ2-CD2 4.48Å; W136-Y157 AromaticContact NE1-CD2 3.46Å; W136-Y157 AromaticContact NE1-CG 3.73Å; W136-V178 HydrophobicContact CB-CB 4.49Å; W136-V178 HydrophobicContact CB-CG1 3.83Å; W136-V178 HydrophobicContact CB-CG2 4.38Å; W136-V182 HydrophobicContact CD2-CG2 3.64Å; W136-V182 HydrophobicContact CE3-CG2 3.62Å; W136-V182 HydrophobicContact CG-CG2 4.14Å; W136-V182 HydrophobicContact CH2-CG2 4.24Å; W136-V182 HydrophobicContact CZ2-CG2 4.29Å; W136-V182 HydrophobicContact CZ3-CG2 3.93Å; W136-F185 HydrophobicContact CH2-CD1 4.08Å; W136-F185 HydrophobicContact CH2-CE1 4.32Å; W136-F185 HydrophobicContact CH2-CG 4.25Å; W136-F185 HydrophobicContact CZ2-CB 3.91Å; W136-F185 AromaticContact CZ2-CD1 3.96Å; W136-F185 HydrophobicContact CZ2-CD1 3.96Å; W136-F185 AromaticContact CZ2-CD2 3.89Å; W136-F185 HydrophobicContact CZ2-CD2 3.89Å; W136-F185 HydrophobicContact CZ2-CE1 4.46Å; W136-F185 HydrophobicContact CZ2-CE2 4.38Å; W136-F185 AromaticContact CZ2-CG 3.65Å; W136-F185 HydrophobicContact CZ2-CG 3.65Å; W136-F206 AromaticContact CH2-CD1 3.84Å; W136-F206 HydrophobicContact CH2-CD1 3.84Å; W136-F206 HydrophobicContact CH2-CE1 4.42Å; W136-F206 HydrophobicContact CZ3-CB 4.34Å; W136-F206 AromaticContact CZ3-CD1 3.92Å; W136-F206 HydrophobicContact CZ3-CD1 3.92Å; W136-F207 PolarHBondContact N-O 3.12Å; W136-L208 HydrophobicContact CE3-CG 4.41Å; W136-H209 PolarHBondContact O-N 3.04Å |
| 137 | G | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147 | -134.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y157 S158 Y159 | G137-Y157 PolarHBondContact N-O 3.5Å; G137-Y157 VanDerWaalsContact N-O 3.13Å; G137-S158 WeakPolarHBondContact O-CA 3.3Å; G137-S158 WeakPolarHBondContact O-CB 3.31Å; G137-Y159 WeakPolarHBondContact O-CE1 3.41Å |
| 138 | S | 91.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | trans | -72.9 | 137.5 | -169.8 | 174.3 | 0 | 0 | 0 | 0 | 112.7 | D140 I141 L142 Y159 E164 H209 | S138-D140 PolarHBondContact O-N 2.96Å; S138-D140 PolarHBondContact OG-N 3.44Å; S138-I141 PolarHBondContact O-N 3.24Å; S138-L142 PolarHBondContact O-N 3.37Å; S138-Y159 WeakPolarHBondContact CA-OH 3.37Å; S138-Y159 WeakPolarHBondContact CB-OH 3.3Å; S138-Y159 PolarHBondContact N-OH 3.4Å; S138-E164 WeakPolarHBondContact CB-OE1 3.49Å; S138-E164 PolarHBondContact OG-OE1 2.8Å; S138-H209 WeakPolarHBondContact CB-ND1 3.29Å; S138-H209 PolarHBondContact N-ND1 3.1Å | ||
| 139 | P | 88.8 | Confident | 88.6 | Confident | 28 Ų | 28 | 25.7 Ų | 25.7 | 18% | 0.182 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -13.6 | 170.7 | 29.3 | -35.9 | 0 | 0 | 0 | 113.7 | P143 A161 E164 | P139-P143 WeakPolarHBondContact O-CD 3.34Å; P139-P143 VanDerWaalsContact O-CG 3.22Å; P139-P143 WeakPolarHBondContact O-CG 3.44Å; P139-A161 HydrophobicContact CG-CB 3.92Å; P139-E164 WeakPolarHBondContact CD-OE1 3.39Å |
| 140 | D | 84.8 | Confident | 87 | Confident | 56 Ų | 56 | 28.5 Ų | 28.5 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -20.1 | 178 | -76.1 | -15.9 | 0 | 0 | 0 | 112.8 | K117 S138 | K117-D140 VanDerWaalsContact NZ-CG 3.3Å; K117-D140 IonicContact NZ-OD1 3.81Å; K117-D140 PolarHBondContact NZ-OD1 3.4Å; K117-D140 IonicContact NZ-OD2 2.57Å; K117-D140 PolarHBondContact NZ-OD2 2.94Å; S138-D140 PolarHBondContact O-N 2.96Å; S138-D140 PolarHBondContact OG-N 3.44Å |
| 141 | I | 89.7 | Confident | 85.4 | Confident | 8 Ų | 8 | 30.8 Ų | 30.8 | 4% | 0.041 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -44.7 | -176.7 | -62.7 | -60.2 | 0 | 0 | 0 | 112.6 | H98 S138 M144 F145 F207 | H98-I141 HydrophobicContact CB-CG2 4.3Å; S138-I141 PolarHBondContact O-N 3.24Å; I141-M144 HydrophobicContact CB-CE 4.37Å; I141-M144 HydrophobicContact CD1-CE 3.93Å; I141-M144 HydrophobicContact CG2-CE 3.85Å; I141-M144 WeakPolarHBondContact O-CG 3.48Å; I141-F145 HydrophobicContact CG2-CE2 4.34Å; I141-F207 HydrophobicContact CG2-CE1 4.32Å; I141-F207 HydrophobicContact CG2-CZ 4.42Å |
| 142 | L | 91.1 | Very high | 84.7 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.1 | -47.2 | -172.1 | -88.9 | 58.6 | 0 | 0 | 0 | 113.5 | S138 M144 F145 T156 F207 H209 | S138-L142 PolarHBondContact O-N 3.37Å; L142-M144 VanDerWaalsContact C-N 3.26Å; L142-M144 PolarHBondContact O-N 2.91Å; L142-F145 PolarHBondContact O-N 3.16Å; L142-T156 HydrophobicContact CB-CG2 3.97Å; L142-F207 HydrophobicContact CD1-CD1 4.48Å; L142-F207 HydrophobicContact CD1-CE1 4Å; L142-H209 HydrophobicContact CD1-CB 3.95Å |
| 143 | P | 88.4 | Confident | 84.5 | Confident | 38 Ų | 38 | 33.2 Ų | 33.2 | 25% | 0.247 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.2 | -27.2 | -173.2 | -26.6 | 37.8 | 0 | 0 | 0 | 114.6 | P139 F145 A146 K147 | P139-P143 WeakPolarHBondContact O-CD 3.34Å; P139-P143 VanDerWaalsContact O-CG 3.22Å; P139-P143 WeakPolarHBondContact O-CG 3.44Å; P143-F145 VanDerWaalsContact C-N 3.27Å; P143-F145 PolarHBondContact O-N 2.88Å; P143-A146 PolarHBondContact O-N 2.68Å; P143-A146 VanDerWaalsContact O-N 3.16Å; P143-K147 WeakPolarHBondContact O-CG 3.32Å; P143-K147 PolarHBondContact O-N 3.12Å |
| 144 | M | 85.6 | Confident | 84.3 | Confident | 21 Ų | 21 | 34.1 Ų | 34.1 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.1 | -29.9 | -179 | 57 | 153.4 | 169.4 | 0 | 0 | 113.1 | R95 H98 V99 I141 L142 | R95-M144 HydrophobicContact CB-CE 4.49Å; R95-M144 HydrophobicContact CG-CE 3.96Å; R95-M144 HydrophobicContact CG-SD 3.68Å; H98-M144 HydrophobicContact CB-CE 3.85Å; V99-M144 HydrophobicContact CG2-SD 4.04Å; I141-M144 HydrophobicContact CB-CE 4.37Å; I141-M144 HydrophobicContact CD1-CE 3.93Å; I141-M144 HydrophobicContact CG2-CE 3.85Å; I141-M144 WeakPolarHBondContact O-CG 3.48Å; L142-M144 VanDerWaalsContact C-N 3.26Å; L142-M144 PolarHBondContact O-N 2.91Å |
| 145 | F | 87.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -85.2 | -18.2 | 175.4 | -62.2 | -72.8 | 0 | 0 | 0 | 113.3 | H98 V99 I102 F123 F127 I141 L142 P143 | H98-F145 HydrophobicContact CB-CE2 4.12Å; H98-F145 HydrophobicContact CB-CZ 4.06Å; V99-F145 HydrophobicContact CG2-CZ 4.48Å; I102-F145 HydrophobicContact CB-CD1 4.39Å; I102-F145 HydrophobicContact CB-CE1 3.73Å; I102-F145 HydrophobicContact CB-CZ 3.91Å; I102-F145 HydrophobicContact CD1-CD2 4.13Å; I102-F145 HydrophobicContact CD1-CE1 4.1Å; I102-F145 HydrophobicContact CD1-CE2 3.49Å; I102-F145 VanDerWaalsContact CD1-CE2 3.49Å; I102-F145 HydrophobicContact CD1-CZ 3.51Å; I102-F145 HydrophobicContact CG1-CZ 4.25Å; I102-F145 HydrophobicContact CG2-CD1 3.96Å; I102-F145 HydrophobicContact CG2-CE1 3.81Å; I102-F145 HydrophobicContact CG2-CZ 4.34Å; F123-F145 AromaticContact CE2-CD1 3.97Å; F123-F145 HydrophobicContact CE2-CD1 3.97Å; F123-F145 AromaticContact CE2-CE1 3.8Å; F123-F145 HydrophobicContact CE2-CE1 3.8Å; F123-F145 HydrophobicContact CZ-CD1 4.27Å; F123-F145 HydrophobicContact CZ-CE1 4.05Å; F127-F145 HydrophobicContact CD2-CB 3.54Å; F127-F145 HydrophobicContact CD2-CD2 4.46Å; F127-F145 AromaticContact CD2-CG 3.96Å; F127-F145 HydrophobicContact CD2-CG 3.96Å; F127-F145 HydrophobicContact CE2-CB 4.03Å; F127-F145 HydrophobicContact CE2-CD2 4.11Å; F127-F145 HydrophobicContact CE2-CG 4.05Å; I141-F145 HydrophobicContact CG2-CE2 4.34Å; L142-F145 PolarHBondContact O-N 3.16Å; P143-F145 VanDerWaalsContact C-N 3.27Å; P143-F145 PolarHBondContact O-N 2.88Å |
| 146 | A | 83.8 | Confident | 84 | Confident | 28 Ų | 28 | 39.2 Ų | 39.2 | 23% | 0.231 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -84.6 | -35 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P143 G148 A149 V154 T156 | P143-A146 PolarHBondContact O-N 2.68Å; P143-A146 VanDerWaalsContact O-N 3.16Å; A146-G148 VanDerWaalsContact C-N 3.32Å; A146-G148 PolarHBondContact O-N 2.84Å; A146-A149 WeakPolarHBondContact O-CB 3.13Å; A146-A149 PolarHBondContact O-N 3.26Å; A146-A149 VanDerWaalsContact O-N 3.13Å; A146-V154 HydrophobicContact CB-CG1 4.03Å; A146-T156 HydrophobicContact CB-CG2 3.74Å |
| 147 | K | 71.9 | Confident | 83.9 | Confident | 122 Ų | 122 | 43.5 Ų | 43.5 | 53% | 0.53 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.7 | -36 | -176 | -82 | 178.6 | 170.4 | -179.9 | 0 | 113.9 | E118 P143 | E118-K147 IonicContact OE1-NZ 2.67Å; E118-K147 PolarHBondContact OE1-NZ 2.89Å; E118-K147 IonicContact OE2-NZ 3.75Å; E118-K147 PolarHBondContact OE2-NZ 3.12Å; P143-K147 WeakPolarHBondContact O-CG 3.32Å; P143-K147 PolarHBondContact O-N 3.12Å |
| 148 | G | 61.9 | Low | 83.8 | Confident | 27 Ų | 27 | 46 Ų | 46 | 28% | 0.278 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N128 A146 | N128-G148 PolarHBondContact ND2-O 2.89Å; A146-G148 VanDerWaalsContact C-N 3.32Å; A146-G148 PolarHBondContact O-N 2.84Å |
| 149 | A | 69.6 | Low | 83.7 | Confident | 16 Ų | 16 | 46.1 Ų | 46.1 | 13% | 0.132 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -78.3 | 124.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | N128 A146 G151 V154 | N128-A149 VanDerWaalsContact ND2-CA 3.33Å; N128-A149 WeakPolarHBondContact ND2-CA 3.32Å; N128-A149 PolarHBondContact ND2-N 3.26Å; A146-A149 WeakPolarHBondContact O-CB 3.13Å; A146-A149 PolarHBondContact O-N 3.26Å; A146-A149 VanDerWaalsContact O-N 3.13Å; A149-G151 PolarHBondContact O-N 3.26Å; A149-V154 HydrophobicContact CB-CB 4.11Å; A149-V154 HydrophobicContact CB-CG2 3.55Å |
| 150 | S | 57.8 | Low | 83.5 | Confident | 103 Ų | 103 | 49.5 Ų | 49.5 | 72% | 0.72 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -72.3 | 103.6 | 176.6 | 56.9 | 0 | 0 | 0 | 0 | 110.5 | H153 | S150-H153 PolarHBondContact O-CE1 2.9Å; S150-H153 VanDerWaalsContact O-CE1 3.22Å |
| 151 | G | 62 | Low | 83.3 | Confident | 53 Ų | 53 | 49.3 Ų | 49.3 | 55% | 0.546 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 91.2 | 178 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | A149 H153 | A149-G151 PolarHBondContact O-N 3.26Å; G151-H153 VanDerWaalsContact C-N 3.31Å; G151-H153 PolarHBondContact O-N 3.03Å; G151-H153 PolarHBondContact O-ND1 3.11Å |
| 152 | D | 81.3 | Confident | 82.4 | Confident | 153 Ų | 153 | 55.6 Ų | 55.6 | 82% | 0.818 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 59.1 | -167.8 | -63.7 | -22 | 0 | 0 | 0 | 114.2 | Y155 | D152-Y155 PolarHBondContact O-OH 3.39Š|
| 153 | H | 91.8 | Very high | 81.4 | Confident | 27 Ų | 27 | 61.3 Ų | 61.3 | 13% | 0.125 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | -11.5 | -175.2 | 70.4 | -33.1 | 0 | 0 | 0 | 115.6 | N128 S130 Y132 T133 S150 G151 | N128-H153 PolarHBondContact O-NE2 3.23Å; S130-H153 PolarHBondContact O-CD2 3.43Å; S130-H153 VanDerWaalsContact O-CD2 3.3Å; Y132-H153 WeakPolarHBondContact CA-O 3.34Å; Y132-H153 HydrophobicContact CD1-CB 4.14Å; Y132-H153 HydrophobicContact CE1-CB 4.45Å; T133-H153 PolarHBondContact N-O 3.46Å; S150-H153 PolarHBondContact O-CE1 2.9Å; S150-H153 VanDerWaalsContact O-CE1 3.22Å; G151-H153 VanDerWaalsContact C-N 3.31Å; G151-H153 PolarHBondContact O-N 3.03Å; G151-H153 PolarHBondContact O-ND1 3.11Å |
| 154 | V | 94.1 | Very high | 80.6 | Confident | 19 Ų | 19 | 61.1 Ų | 61.1 | 12% | 0.115 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 110.6 | 172 | -179 | 0 | 0 | 0 | 0 | 108.4 | F127 T133 A146 A149 | F127-V154 HydrophobicContact CB-CG2 4.2Å; T133-V154 HydrophobicContact CG2-CG1 4.26Å; A146-V154 HydrophobicContact CB-CG1 4.03Å; A149-V154 HydrophobicContact CB-CB 4.11Å; A149-V154 HydrophobicContact CB-CG2 3.55Å |
| 155 | Y | 94.6 | Very high | 79.3 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 125.2 | -177.8 | -54.9 | -75.9 | 0 | 0 | 0 | 110.3 | Y132 T133 W134 S135 D152 K198 | Y132-Y155 HydrophobicContact CD1-CE2 4.01Å; T133-Y155 PolarHBondContact O-N 3.46Å; W134-Y155 AromaticContact CD1-CD2 3.62Å; W134-Y155 AromaticContact CD1-CG 3.97Å; W134-Y155 HydrophobicContact CD2-CD2 4.33Å; W134-Y155 AromaticContact CE2-CD2 3.75Å; W134-Y155 HydrophobicContact CG-CD2 4.25Å; W134-Y155 HydrophobicContact CZ2-CD2 4.33Å; W134-Y155 HydrophobicContact CZ2-CE2 4.19Å; W134-Y155 AromaticContact NE1-CD2 3.25Å; W134-Y155 AromaticContact NE1-CE2 3.82Å; W134-Y155 AromaticContact NE1-CG 3.89Å; S135-Y155 PolarHBondContact N-O 3.48Å; S135-Y155 PolarHBondContact OG-O 3.19Å; D152-Y155 PolarHBondContact O-OH 3.39Å; Y155-K198 PolarHBondContact OH-NZ 2.68Å |
| 156 | T | 93.8 | Very high | 77.5 | Confident | 56 Ų | 56 | 73.6 Ų | 73.6 | 34% | 0.344 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.6 | -178.5 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | S135 L142 A146 | S135-T156 WeakPolarHBondContact OG-CA 3.39Å; S135-T156 WeakPolarHBondContact OG-CG2 3.45Å; L142-T156 HydrophobicContact CB-CG2 3.97Å; A146-T156 HydrophobicContact CB-CG2 3.74Å |
| 157 | Y | 95.2 | Very high | 75.9 | Confident | 93 Ų | 93 | 72.6 Ų | 72.6 | 37% | 0.365 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 107.2 | 173.9 | -57.8 | -89.5 | 0 | 0 | 0 | 109.1 | S135 W136 G137 W177 | S135-Y157 PolarHBondContact O-N 2.98Å; W136-Y157 VanDerWaalsContact CA-O 3.3Å; W136-Y157 WeakPolarHBondContact CA-O 3.48Å; W136-Y157 VanDerWaalsContact CD1-CB 3.44Å; W136-Y157 AromaticContact CD1-CD2 3.89Å; W136-Y157 AromaticContact CD1-CG 3.89Å; W136-Y157 AromaticContact CE2-CD2 3.94Å; W136-Y157 HydrophobicContact CZ2-CD2 4.48Å; W136-Y157 AromaticContact NE1-CD2 3.46Å; W136-Y157 AromaticContact NE1-CG 3.73Å; G137-Y157 PolarHBondContact N-O 3.5Å; G137-Y157 VanDerWaalsContact N-O 3.13Å; Y157-W177 WeakPolarHBondContact O-CH2 3.17Å; Y157-W177 WeakPolarHBondContact O-CZ3 3.46Å |
| 158 | S | 93.4 | Very high | 75.1 | Confident | 54 Ų | 54 | 69.1 Ų | 69.1 | 38% | 0.378 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 149.7 | 177.7 | 60 | 0 | 0 | 0 | 0 | 112 | G137 | G137-S158 WeakPolarHBondContact O-CA 3.3Å; G137-S158 WeakPolarHBondContact O-CB 3.31Å |
| 159 | Y | 90.2 | Very high | 75.1 | Confident | 5 Ų | 5 | 76 Ų | 76 | 2% | 0.02 | 41% | 0.413 | C | S | . | . | trans | -71.8 | 163.3 | 161.9 | 43.8 | -107.7 | 0 | 0 | 0 | 110.4 | G137 S138 A161 E164 L174 W177 V178 L211 | G137-Y159 WeakPolarHBondContact O-CE1 3.41Å; S138-Y159 WeakPolarHBondContact CA-OH 3.37Å; S138-Y159 WeakPolarHBondContact CB-OH 3.3Å; S138-Y159 PolarHBondContact N-OH 3.4Å; Y159-A161 PolarHBondContact O-N 3.31Å; Y159-E164 HydrophobicContact CD2-CG 4.27Å; Y159-E164 HydrophobicContact CE2-CG 3.55Å; Y159-E164 WeakPolarHBondContact CE2-OE1 3.4Å; Y159-L174 HydrophobicContact CD1-CD2 4.36Å; Y159-L174 HydrophobicContact CD2-CD2 4.19Å; Y159-L174 HydrophobicContact CE1-CB 4.26Å; Y159-L174 HydrophobicContact CE1-CD2 4.15Å; Y159-L174 HydrophobicContact CE2-CD2 3.98Å; Y159-L174 HydrophobicContact CG-CD2 4.39Å; Y159-W177 AromaticContact CD1-CD2 3.98Å; Y159-W177 HydrophobicContact CD1-CD2 3.98Å; Y159-W177 AromaticContact CD1-CE3 3.62Å; Y159-W177 HydrophobicContact CD1-CE3 3.62Å; Y159-W177 HydrophobicContact CD1-CG 4.47Å; Y159-W177 HydrophobicContact CD1-CZ3 4.05Å; Y159-W177 HydrophobicContact CE1-CE3 4.48Å; Y159-W177 HydrophobicContact CG-CE3 4.46Å; Y159-V178 HydrophobicContact CE1-CG2 4.47Å; Y159-L211 WeakPolarHBondContact OH-CB 3.46Å; Y159-L211 VanDerWaalsContact OH-CD2 3.25Å; Y159-L211 WeakPolarHBondContact OH-CD2 3.48Å | ||
| 160 | D | 84.9 | Confident | 75.6 | Confident | 98 Ų | 98 | 78.2 Ų | 78.2 | 52% | 0.524 | 42% | 0.422 | S | S | . | . | trans | -63.3 | 136.3 | 176.8 | -50.8 | -58.7 | 0 | 0 | 0 | 110.2 | Q162 R163 | D160-Q162 PolarHBondContact O-N 2.91Å; D160-Q162 VanDerWaalsContact O-N 3.09Å; D160-R163 HydrophobicContact CB-CG 4.24Å; D160-R163 VanDerWaalsContact O-CB 3.29Å; D160-R163 WeakPolarHBondContact O-CB 3.48Å; D160-R163 PolarHBondContact O-N 3.19Å; D160-R163 IonicContact OD2-CZ 3.42Å; D160-R163 IonicContact OD2-NE 3.08Å; D160-R163 PolarHBondContact OD2-NE 2.74Å; D160-R163 VanDerWaalsContact OD2-NE 3.12Å; D160-R163 IonicContact OD2-NH2 2.7Å; D160-R163 PolarHBondContact OD2-NH2 2.93Å | ||
| 161 | A | 79.6 | Confident | 76.9 | Confident | 53 Ų | 53 | 73.3 Ų | 73.3 | 44% | 0.438 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -32.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | P139 Y159 R163 E164 | P139-A161 HydrophobicContact CG-CB 3.92Å; Y159-A161 PolarHBondContact O-N 3.31Å; A161-R163 PolarHBondContact O-N 3.42Å; A161-R163 VanDerWaalsContact O-N 3.16Å; A161-E164 WeakPolarHBondContact O-CB 3.29Å; A161-E164 PolarHBondContact O-N 2.84Å; A161-E164 VanDerWaalsContact O-N 3.11Å |
| 162 | Q | 71 | Confident | 78.1 | Confident | 140 Ų | 140 | 72.1 Ų | 72.1 | 65% | 0.654 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.5 | -25.9 | 175.9 | -64.6 | 175.7 | 4 | 0 | 0 | 112.9 | D160 E164 D165 F166 | D160-Q162 PolarHBondContact O-N 2.91Å; D160-Q162 VanDerWaalsContact O-N 3.09Å; Q162-E164 PolarHBondContact O-N 2.71Å; Q162-D165 PolarHBondContact O-N 2.91Å; Q162-F166 HydrophobicContact CB-CD2 4.32Å; Q162-F166 HydrophobicContact CB-CE2 4.25Å; Q162-F166 WeakPolarHBondContact O-CD2 3.38Å; Q162-F166 PolarHBondContact O-N 3.12Å; Q162-F166 VanDerWaalsContact O-N 3.1Å |
| 163 | R | 70.7 | Confident | 78.5 | Confident | 122 Ų | 122 | 71.3 Ų | 71.3 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.7 | -19.2 | 179.3 | -62.9 | -175 | -168.6 | -151.9 | 0.4 | 112.9 | D160 A161 G167 L174 | D160-R163 HydrophobicContact CB-CG 4.24Å; D160-R163 VanDerWaalsContact O-CB 3.29Å; D160-R163 WeakPolarHBondContact O-CB 3.48Å; D160-R163 PolarHBondContact O-N 3.19Å; D160-R163 IonicContact OD2-CZ 3.42Å; D160-R163 IonicContact OD2-NE 3.08Å; D160-R163 PolarHBondContact OD2-NE 2.74Å; D160-R163 VanDerWaalsContact OD2-NE 3.12Å; D160-R163 IonicContact OD2-NH2 2.7Å; D160-R163 PolarHBondContact OD2-NH2 2.93Å; A161-R163 PolarHBondContact O-N 3.42Å; A161-R163 VanDerWaalsContact O-N 3.16Å; R163-G167 PolarHBondContact O-N 3.06Å; R163-L174 HydrophobicContact CB-CD2 4.44Å |
| 164 | E | 71.9 | Confident | 78.5 | Confident | 33 Ų | 33 | 70.4 Ų | 70.4 | 15% | 0.154 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 171 | -61.9 | -179.8 | 154 | 0 | 0 | 109.6 | S138 P139 Y159 A161 Q162 G167 L211 | S138-E164 WeakPolarHBondContact CB-OE1 3.49Å; S138-E164 PolarHBondContact OG-OE1 2.8Å; P139-E164 WeakPolarHBondContact CD-OE1 3.39Å; Y159-E164 HydrophobicContact CD2-CG 4.27Å; Y159-E164 HydrophobicContact CE2-CG 3.55Å; Y159-E164 WeakPolarHBondContact CE2-OE1 3.4Å; A161-E164 WeakPolarHBondContact O-CB 3.29Å; A161-E164 PolarHBondContact O-N 2.84Å; A161-E164 VanDerWaalsContact O-N 3.11Å; Q162-E164 PolarHBondContact O-N 2.71Å; E164-G167 PolarHBondContact O-N 2.84Å; E164-L211 HydrophobicContact CG-CD2 3.97Å; E164-L211 WeakPolarHBondContact OE1-CD2 3.27Å |
| 165 | D | 59 | Low | 78.6 | Confident | 133 Ų | 133 | 69.5 Ų | 69.5 | 71% | 0.711 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.2 | -41.7 | 175.6 | -68.2 | -30.8 | 0 | 0 | 0 | 112.6 | Q162 G167 A168 | Q162-D165 PolarHBondContact O-N 2.91Å; D165-G167 VanDerWaalsContact C-N 3.29Å; D165-G167 PolarHBondContact O-N 2.86Å; D165-A168 VanDerWaalsContact O-CB 3.31Å; D165-A168 WeakPolarHBondContact O-CB 3.33Å; D165-A168 PolarHBondContact O-N 3.43Å |
| 166 | F | 48.1 | Very low | 78.6 | Confident | 154 Ų | 154 | 68.4 Ų | 68.4 | 68% | 0.675 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -75.8 | -15.1 | 176.8 | -70.4 | -70.1 | 0 | 0 | 0 | 113.7 | Q162 A168 | Q162-F166 HydrophobicContact CB-CD2 4.32Å; Q162-F166 HydrophobicContact CB-CE2 4.25Å; Q162-F166 WeakPolarHBondContact O-CD2 3.38Å; Q162-F166 PolarHBondContact O-N 3.12Å; Q162-F166 VanDerWaalsContact O-N 3.1Å; F166-A168 PolarHBondContact O-N 2.96Å |
| 167 | G | 51.7 | Low | 78.8 | Confident | 6 Ų | 6 | 68 Ų | 68 | 6% | 0.062 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -63.5 | -14.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R163 E164 D165 H169 D170 A171 | R163-G167 PolarHBondContact O-N 3.06Å; E164-G167 PolarHBondContact O-N 2.84Å; D165-G167 VanDerWaalsContact C-N 3.29Å; D165-G167 PolarHBondContact O-N 2.86Å; G167-H169 PolarHBondContact O-N 2.82Å; G167-D170 CarbonylContact O-C 3.51Å; G167-D170 PolarHBondContact O-N 2.91Å; G167-A171 VanDerWaalsContact O-CA 3.25Å; G167-A171 WeakPolarHBondContact O-CA 3.34Å; G167-A171 PolarHBondContact O-N 3.46Å |
| 168 | A | 54.9 | Low | 78.9 | Confident | 50 Ų | 50 | 63.6 Ų | 63.6 | 41% | 0.413 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -57.8 | -18.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D165 F166 | D165-A168 VanDerWaalsContact O-CB 3.31Å; D165-A168 WeakPolarHBondContact O-CB 3.33Å; D165-A168 PolarHBondContact O-N 3.43Å; F166-A168 PolarHBondContact O-N 2.96Å |
| 169 | H | 62.4 | Low | 79.1 | Confident | 172 Ų | 172 | 61.3 Ų | 61.3 | 80% | 0.796 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -90.1 | -31.5 | 173.3 | -68.7 | -45.8 | 0 | 0 | 0 | 113.8 | G167 | G167-H169 PolarHBondContact O-N 2.82Š|
| 170 | D | 79.4 | Confident | 79.5 | Confident | 61 Ų | 61 | 64.5 Ų | 64.5 | 33% | 0.326 | 33% | 0.325 | S | S | . | . | trans | -160.1 | 88.4 | 177.1 | 178.6 | 12 | 0 | 0 | 0 | 109.6 | G167 T172 K173 | G167-D170 CarbonylContact O-C 3.51Å; G167-D170 PolarHBondContact O-N 2.91Å; D170-T172 PolarHBondContact O-N 2.82Å; D170-T172 WeakPolarHBondContact OD1-CB 2.97Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.43Å; D170-T172 PolarHBondContact OD1-N 3.31Å; D170-T172 PolarHBondContact OD1-OG1 3.3Å; D170-K173 HydrophobicContact CB-CD 4.4Å; D170-K173 PolarHBondContact O-N 3.49Å; D170-K173 WeakPolarHBondContact OD2-CE 3.13Å | ||
| 171 | A | 84.9 | Confident | 80.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -14.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | G167 K173 L174 G212 T215 | G167-A171 VanDerWaalsContact O-CA 3.25Å; G167-A171 WeakPolarHBondContact O-CA 3.34Å; G167-A171 PolarHBondContact O-N 3.46Å; A171-K173 PolarHBondContact O-N 3.24Å; A171-L174 WeakPolarHBondContact O-CB 3.34Å; A171-L174 PolarHBondContact O-N 3.31Å; A171-G212 WeakPolarHBondContact O-CA 3.43Å; A171-T215 HydrophobicContact CB-CG2 3.56Å |
| 172 | T | 87.6 | Confident | 81 | Confident | 28 Ų | 28 | 60.7 Ų | 60.7 | 17% | 0.172 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.5 | -19.2 | 176.8 | 73.9 | 0 | 0 | 0 | 0 | 112.5 | D170 L174 D175 T176 N230 | D170-T172 PolarHBondContact O-N 2.82Å; D170-T172 WeakPolarHBondContact OD1-CB 2.97Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.43Å; D170-T172 PolarHBondContact OD1-N 3.31Å; D170-T172 PolarHBondContact OD1-OG1 3.3Å; T172-L174 VanDerWaalsContact C-N 3.28Å; T172-L174 PolarHBondContact O-N 3.29Å; T172-D175 PolarHBondContact O-N 2.91Å; T172-T176 WeakPolarHBondContact O-CB 3.21Å; T172-T176 PolarHBondContact O-N 2.88Å; T172-T176 PolarHBondContact O-OG1 2.76Å; T172-N230 HydrophobicContact CG2-CB 4.12Å; T172-N230 WeakPolarHBondContact CG2-OD1 3.21Å |
| 173 | K | 89.8 | Confident | 82.3 | Confident | 137 Ų | 137 | 56.1 Ų | 56.1 | 60% | 0.596 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -66.4 | -27.9 | 175.3 | -68.9 | 179.6 | -178.9 | 171.3 | 0 | 113.1 | D170 A171 W177 | D170-K173 HydrophobicContact CB-CD 4.4Å; D170-K173 PolarHBondContact O-N 3.49Å; D170-K173 WeakPolarHBondContact OD2-CE 3.13Å; A171-K173 PolarHBondContact O-N 3.24Å; K173-W177 VanDerWaalsContact O-CB 3.3Å; K173-W177 WeakPolarHBondContact O-CB 3.48Å; K173-W177 PolarHBondContact O-N 3.39Å |
| 174 | L | 91.9 | Very high | 83.6 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 4% | 0.037 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.5 | -47.9 | 175.9 | -60.8 | 174.7 | 0 | 0 | 0 | 109.9 | Y159 R163 A171 T172 W177 V178 L211 | Y159-L174 HydrophobicContact CD1-CD2 4.36Å; Y159-L174 HydrophobicContact CD2-CD2 4.19Å; Y159-L174 HydrophobicContact CE1-CB 4.26Å; Y159-L174 HydrophobicContact CE1-CD2 4.15Å; Y159-L174 HydrophobicContact CE2-CD2 3.98Å; Y159-L174 HydrophobicContact CG-CD2 4.39Å; R163-L174 HydrophobicContact CB-CD2 4.44Å; A171-L174 WeakPolarHBondContact O-CB 3.34Å; A171-L174 PolarHBondContact O-N 3.31Å; T172-L174 VanDerWaalsContact C-N 3.28Å; T172-L174 PolarHBondContact O-N 3.29Å; L174-W177 WeakPolarHBondContact O-CB 3.37Å; L174-W177 PolarHBondContact O-N 3.31Å; L174-V178 PolarHBondContact O-N 3.4Å; L174-L211 HydrophobicContact CD1-CB 4.32Å; L174-L211 HydrophobicContact CD1-CD2 4.17Å; L174-L211 HydrophobicContact CD1-CG 4.27Å |
| 175 | D | 95.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.2 | -42.4 | 177.5 | -54.7 | -30 | 0 | 0 | 0 | 111.3 | T172 W177 V178 F179 L210 L211 G212 N230 V234 | T172-D175 PolarHBondContact O-N 2.91Å; D175-W177 VanDerWaalsContact C-N 3.31Å; D175-W177 PolarHBondContact O-N 3.28Å; D175-V178 WeakPolarHBondContact O-CB 3.46Å; D175-V178 PolarHBondContact O-N 3.26Å; D175-V178 VanDerWaalsContact O-N 3.13Å; D175-F179 HydrophobicContact CB-CE2 4.07Å; D175-F179 WeakPolarHBondContact O-CD2 3.41Å; D175-F179 WeakPolarHBondContact O-CG 3.31Å; D175-F179 PolarHBondContact O-N 3.06Å; D175-L210 HydrophobicContact CB-CD2 4.23Å; D175-L210 VanDerWaalsContact OD1-CA 3.22Å; D175-L210 WeakPolarHBondContact OD1-CA 3.45Å; D175-L210 WeakPolarHBondContact OD1-CB 3.4Å; D175-L211 PolarHBondContact OD1-N 3.04Å; D175-L211 VanDerWaalsContact OD1-N 3.11Å; D175-G212 PolarHBondContact OD1-N 3.15Å; D175-G212 WeakPolarHBondContact OD2-CA 3.45Å; D175-N230 PolarHBondContact OD2-ND2 2.91Å; D175-V234 HydrophobicContact CB-CG2 4.28Å; D175-V234 WeakPolarHBondContact OD2-CG2 3.46Å |
| 176 | T | 95.3 | Very high | 86.7 | Confident | 35 Ų | 35 | 47 Ų | 47 | 22% | 0.215 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.1 | -39.4 | 177.9 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | T172 V178 F179 D180 K233 | T172-T176 WeakPolarHBondContact O-CB 3.21Å; T172-T176 PolarHBondContact O-N 2.88Å; T172-T176 PolarHBondContact O-OG1 2.76Å; T176-V178 VanDerWaalsContact C-N 3.31Å; T176-V178 PolarHBondContact O-N 2.86Å; T176-F179 PolarHBondContact O-N 3.28Å; T176-D180 WeakPolarHBondContact O-CB 3.37Å; T176-D180 VanDerWaalsContact O-CG 3.25Å; T176-D180 PolarHBondContact O-N 2.99Å; T176-K233 VanDerWaalsContact OG1-CE 3.27Å; T176-K233 WeakPolarHBondContact OG1-CE 3.39Å |
| 177 | W | 96.3 | Very high | 89 | Confident | 48 Ų | 48 | 43.7 Ų | 43.7 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.4 | -42.1 | 174.4 | -179.2 | 96.9 | 0 | 0 | 0 | 112 | Y157 Y159 K173 L174 D175 D180 K181 | Y157-W177 WeakPolarHBondContact O-CH2 3.17Å; Y157-W177 WeakPolarHBondContact O-CZ3 3.46Å; Y159-W177 AromaticContact CD1-CD2 3.98Å; Y159-W177 HydrophobicContact CD1-CD2 3.98Å; Y159-W177 AromaticContact CD1-CE3 3.62Å; Y159-W177 HydrophobicContact CD1-CE3 3.62Å; Y159-W177 HydrophobicContact CD1-CG 4.47Å; Y159-W177 HydrophobicContact CD1-CZ3 4.05Å; Y159-W177 HydrophobicContact CE1-CE3 4.48Å; Y159-W177 HydrophobicContact CG-CE3 4.46Å; K173-W177 VanDerWaalsContact O-CB 3.3Å; K173-W177 WeakPolarHBondContact O-CB 3.48Å; K173-W177 PolarHBondContact O-N 3.39Å; L174-W177 WeakPolarHBondContact O-CB 3.37Å; L174-W177 PolarHBondContact O-N 3.31Å; D175-W177 VanDerWaalsContact C-N 3.31Å; D175-W177 PolarHBondContact O-N 3.28Å; W177-D180 PolarHBondContact O-N 2.74Å; W177-K181 HydrophobicContact CD2-CG 3.9Å; W177-K181 HydrophobicContact CE3-CG 4.03Å; W177-K181 HydrophobicContact CH2-CD 4.46Å; W177-K181 HydrophobicContact CH2-CG 3.84Å; W177-K181 HydrophobicContact CZ2-CD 4.1Å; W177-K181 HydrophobicContact CZ2-CG 3.7Å; W177-K181 HydrophobicContact CZ3-CB 4.48Å; W177-K181 HydrophobicContact CZ3-CG 4Å; W177-K181 WeakPolarHBondContact O-CB 3.27Å; W177-K181 VanDerWaalsContact O-CG 3.29Å; W177-K181 WeakPolarHBondContact O-CG 3.48Å; W177-K181 PolarHBondContact O-N 3Å |
| 178 | V | 98.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -49.2 | 177 | 169.1 | 0 | 0 | 0 | 0 | 110.2 | W136 Y159 L174 D175 T176 D180 K181 V182 L208 L210 | W136-V178 HydrophobicContact CB-CB 4.49Å; W136-V178 HydrophobicContact CB-CG1 3.83Å; W136-V178 HydrophobicContact CB-CG2 4.38Å; Y159-V178 HydrophobicContact CE1-CG2 4.47Å; L174-V178 PolarHBondContact O-N 3.4Å; D175-V178 WeakPolarHBondContact O-CB 3.46Å; D175-V178 PolarHBondContact O-N 3.26Å; D175-V178 VanDerWaalsContact O-N 3.13Å; T176-V178 VanDerWaalsContact C-N 3.31Å; T176-V178 PolarHBondContact O-N 2.86Å; V178-D180 PolarHBondContact O-N 3.47Å; V178-K181 PolarHBondContact O-N 3.06Å; V178-V182 WeakPolarHBondContact O-CG2 3.3Å; V178-V182 PolarHBondContact O-N 3.49Å; V178-L208 HydrophobicContact CG1-CB 3.99Å; V178-L208 HydrophobicContact CG1-CD2 3.97Å; V178-L208 HydrophobicContact CG1-CG 4.11Å; V178-L210 HydrophobicContact CB-CD2 4Å; V178-L210 HydrophobicContact CG1-CD2 3.76Å |
| 179 | F | 98.5 | Very high | 93.1 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 178.3 | -60.7 | -45.5 | 0 | 0 | 0 | 112.5 | D175 T176 K181 V182 K183 L208 L210 V238 I241 | D175-F179 HydrophobicContact CB-CE2 4.07Å; D175-F179 WeakPolarHBondContact O-CD2 3.41Å; D175-F179 WeakPolarHBondContact O-CG 3.31Å; D175-F179 PolarHBondContact O-N 3.06Å; T176-F179 PolarHBondContact O-N 3.28Å; F179-K181 VanDerWaalsContact C-N 3.33Å; F179-K181 PolarHBondContact O-N 3.43Å; F179-V182 PolarHBondContact O-N 3.15Å; F179-K183 WeakPolarHBondContact O-CG 3.17Å; F179-K183 PolarHBondContact O-N 2.79Å; F179-L208 HydrophobicContact CD1-CD2 4.2Å; F179-L208 HydrophobicContact CE1-CD2 4.32Å; F179-L210 HydrophobicContact CD1-CD2 4.47Å; F179-L210 HydrophobicContact CE1-CD1 4.12Å; F179-L210 HydrophobicContact CE1-CD2 3.8Å; F179-L210 HydrophobicContact CE2-CD2 4.35Å; F179-L210 HydrophobicContact CZ-CD1 3.79Å; F179-L210 HydrophobicContact CZ-CD2 3.73Å; F179-L210 HydrophobicContact CZ-CG 4.43Å; F179-V238 HydrophobicContact CE1-CG2 4.5Å; F179-V238 HydrophobicContact CZ-CG2 4.43Å; F179-I241 HydrophobicContact CB-CD1 4.27Å; F179-I241 HydrophobicContact CD1-CD1 4.17Å; F179-I241 HydrophobicContact CD1-CG1 3.54Å; F179-I241 HydrophobicContact CE1-CG1 4.16Å; F179-I241 HydrophobicContact CG-CG1 4.38Å |
| 180 | D | 98.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 41 Ų | 41 | 38% | 0.38 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.5 | -38.5 | 178.1 | -70.3 | -17.2 | 0 | 0 | 0 | 111.7 | T176 W177 V178 V182 K183 D184 | T176-D180 WeakPolarHBondContact O-CB 3.37Å; T176-D180 VanDerWaalsContact O-CG 3.25Å; T176-D180 PolarHBondContact O-N 2.99Å; W177-D180 PolarHBondContact O-N 2.74Å; V178-D180 PolarHBondContact O-N 3.47Å; D180-V182 VanDerWaalsContact C-N 3.34Å; D180-V182 PolarHBondContact O-N 2.87Å; D180-K183 WeakPolarHBondContact O-CB 3.36Å; D180-K183 PolarHBondContact O-N 2.81Å; D180-K183 IonicContact OD1-NZ 3.98Å; D180-D184 VanDerWaalsContact O-CG 3.31Å; D180-D184 PolarHBondContact O-N 3.42Å |
| 181 | K | 97.9 | Very high | 95.3 | Very high | 72 Ų | 72 | 45 Ų | 45 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.4 | -33.8 | 176 | -74.9 | -72.8 | 152.9 | -132.9 | 0 | 113.3 | W177 V178 F179 D184 F185 | W177-K181 HydrophobicContact CD2-CG 3.9Å; W177-K181 HydrophobicContact CE3-CG 4.03Å; W177-K181 HydrophobicContact CH2-CD 4.46Å; W177-K181 HydrophobicContact CH2-CG 3.84Å; W177-K181 HydrophobicContact CZ2-CD 4.1Å; W177-K181 HydrophobicContact CZ2-CG 3.7Å; W177-K181 HydrophobicContact CZ3-CB 4.48Å; W177-K181 HydrophobicContact CZ3-CG 4Å; W177-K181 WeakPolarHBondContact O-CB 3.27Å; W177-K181 VanDerWaalsContact O-CG 3.29Å; W177-K181 WeakPolarHBondContact O-CG 3.48Å; W177-K181 PolarHBondContact O-N 3Å; V178-K181 PolarHBondContact O-N 3.06Å; F179-K181 VanDerWaalsContact C-N 3.33Å; F179-K181 PolarHBondContact O-N 3.43Å; K181-D184 IonicContact NZ-OD2 2.75Å; K181-D184 PolarHBondContact NZ-OD2 3.42Å; K181-F185 WeakPolarHBondContact O-CB 3.33Å; K181-F185 PolarHBondContact O-N 3.38Å |
| 182 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68 | -39.6 | 173.2 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | W136 V178 F179 D180 F185 F186 L208 I241 F245 | W136-V182 HydrophobicContact CD2-CG2 3.64Å; W136-V182 HydrophobicContact CE3-CG2 3.62Å; W136-V182 HydrophobicContact CG-CG2 4.14Å; W136-V182 HydrophobicContact CH2-CG2 4.24Å; W136-V182 HydrophobicContact CZ2-CG2 4.29Å; W136-V182 HydrophobicContact CZ3-CG2 3.93Å; V178-V182 WeakPolarHBondContact O-CG2 3.3Å; V178-V182 PolarHBondContact O-N 3.49Å; F179-V182 PolarHBondContact O-N 3.15Å; D180-V182 VanDerWaalsContact C-N 3.34Å; D180-V182 PolarHBondContact O-N 2.87Å; V182-F185 WeakPolarHBondContact O-CB 3.17Å; V182-F185 PolarHBondContact O-N 3.28Å; V182-F186 HydrophobicContact CG1-CD2 3.82Å; V182-F186 HydrophobicContact CG1-CE2 3.86Å; V182-F186 WeakPolarHBondContact O-CD2 3.43Å; V182-F186 PolarHBondContact O-N 3.25Å; V182-L208 HydrophobicContact CG2-CD2 3.78Å; V182-L208 HydrophobicContact CG2-CG 4.12Å; V182-I241 HydrophobicContact CB-CD1 4Å; V182-I241 HydrophobicContact CG1-CD1 3.85Å; V182-I241 HydrophobicContact CG1-CG2 4.16Å; V182-F245 HydrophobicContact CG1-CE2 4.36Å |
| 183 | K | 98.3 | Very high | 96.2 | Very high | 43 Ų | 43 | 54 Ų | 54 | 19% | 0.187 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -53.8 | 173.6 | -65.3 | 169.2 | -160 | -175.7 | 0 | 111.3 | F179 D180 F185 F186 D187 E240 I241 I244 | F179-K183 WeakPolarHBondContact O-CG 3.17Å; F179-K183 PolarHBondContact O-N 2.79Å; D180-K183 WeakPolarHBondContact O-CB 3.36Å; D180-K183 PolarHBondContact O-N 2.81Å; D180-K183 IonicContact OD1-NZ 3.98Å; K183-F185 PolarHBondContact O-N 2.94Å; K183-F186 PolarHBondContact O-N 3.06Å; K183-F186 VanDerWaalsContact O-N 3.16Å; K183-D187 PolarHBondContact O-N 3.29Å; K183-E240 WeakPolarHBondContact CE-OE1 3.44Å; K183-E240 VanDerWaalsContact CE-OE2 3.29Å; K183-E240 WeakPolarHBondContact CE-OE2 3.24Å; K183-E240 IonicContact NZ-OE1 2.92Å; K183-E240 PolarHBondContact NZ-OE1 2.9Å; K183-E240 IonicContact NZ-OE2 3.88Å; K183-E240 PolarHBondContact NZ-OE2 3.13Å; K183-I241 HydrophobicContact CG-CD1 4.46Å; K183-I244 HydrophobicContact CG-CD1 3.59Å |
| 184 | D | 97.7 | Very high | 96.4 | Very high | 82 Ų | 82 | 51.1 Ų | 51.1 | 44% | 0.439 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -51.8 | -43.7 | 175.8 | -72.3 | -15.9 | 0 | 0 | 0 | 111.1 | D180 K181 D187 A188 | D180-D184 VanDerWaalsContact O-CG 3.31Å; D180-D184 PolarHBondContact O-N 3.42Å; K181-D184 IonicContact NZ-OD2 2.75Å; K181-D184 PolarHBondContact NZ-OD2 3.42Å; D184-D187 PolarHBondContact O-N 3.4Å; D184-A188 VanDerWaalsContact O-CB 3.31Å; D184-A188 WeakPolarHBondContact O-CB 3.49Å; D184-A188 PolarHBondContact O-N 3.3Å |
| 185 | F | 98 | Very high | 96.6 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.5 | -47.2 | -179.1 | 175.4 | -93.2 | 0 | 0 | 0 | 112.5 | W134 W136 K181 V182 K183 A188 A189 L195 V199 F206 | W134-F185 AromaticContact CD1-CE2 3.43Å; W134-F185 VanDerWaalsContact CD1-CE2 3.43Å; W134-F185 AromaticContact CD1-CZ 3.62Å; W134-F185 HydrophobicContact CD2-CE2 4.35Å; W134-F185 AromaticContact CD2-CZ 3.74Å; W134-F185 HydrophobicContact CD2-CZ 3.74Å; W134-F185 AromaticContact CE2-CZ 3.67Å; W134-F185 HydrophobicContact CE3-CZ 4.45Å; W134-F185 AromaticContact CG-CE2 3.98Å; W134-F185 HydrophobicContact CG-CE2 3.98Å; W134-F185 AromaticContact CG-CZ 3.73Å; W134-F185 HydrophobicContact CG-CZ 3.73Å; W134-F185 HydrophobicContact CZ2-CZ 4.35Å; W134-F185 AromaticContact NE1-CE2 3.52Å; W134-F185 AromaticContact NE1-CZ 3.59Å; W136-F185 HydrophobicContact CH2-CD1 4.08Å; W136-F185 HydrophobicContact CH2-CE1 4.32Å; W136-F185 HydrophobicContact CH2-CG 4.25Å; W136-F185 HydrophobicContact CZ2-CB 3.91Å; W136-F185 AromaticContact CZ2-CD1 3.96Å; W136-F185 HydrophobicContact CZ2-CD1 3.96Å; W136-F185 AromaticContact CZ2-CD2 3.89Å; W136-F185 HydrophobicContact CZ2-CD2 3.89Å; W136-F185 HydrophobicContact CZ2-CE1 4.46Å; W136-F185 HydrophobicContact CZ2-CE2 4.38Å; W136-F185 AromaticContact CZ2-CG 3.65Å; W136-F185 HydrophobicContact CZ2-CG 3.65Å; K181-F185 WeakPolarHBondContact O-CB 3.33Å; K181-F185 PolarHBondContact O-N 3.38Å; V182-F185 WeakPolarHBondContact O-CB 3.17Å; V182-F185 PolarHBondContact O-N 3.28Å; K183-F185 PolarHBondContact O-N 2.94Å; F185-A188 PolarHBondContact O-N 3.11Å; F185-A189 WeakPolarHBondContact O-CB 3.34Å; F185-A189 PolarHBondContact O-N 2.93Å; F185-L195 HydrophobicContact CD2-CD2 4.27Å; F185-L195 HydrophobicContact CE2-CD1 3.79Å; F185-L195 HydrophobicContact CE2-CD2 3.91Å; F185-L195 HydrophobicContact CE2-CG 4.35Å; F185-L195 HydrophobicContact CZ-CD1 3.76Å; F185-L195 HydrophobicContact CZ-CD2 4.26Å; F185-L195 HydrophobicContact CZ-CG 4.32Å; F185-V199 HydrophobicContact CE1-CG1 3.76Å; F185-V199 HydrophobicContact CZ-CG1 3.62Å; F185-F206 AromaticContact CE1-CE1 3.95Å; F185-F206 HydrophobicContact CE1-CE1 3.95Å |
| 186 | F | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.9 | -32.5 | 179.1 | -83.5 | -74 | 0 | 0 | 0 | 112.5 | V182 K183 A189 R190 F206 I244 F245 F248 Y249 | V182-F186 HydrophobicContact CG1-CD2 3.82Å; V182-F186 HydrophobicContact CG1-CE2 3.86Å; V182-F186 WeakPolarHBondContact O-CD2 3.43Å; V182-F186 PolarHBondContact O-N 3.25Å; K183-F186 PolarHBondContact O-N 3.06Å; K183-F186 VanDerWaalsContact O-N 3.16Å; F186-A189 PolarHBondContact O-N 3.07Å; F186-R190 WeakPolarHBondContact O-CG 3.36Å; F186-R190 PolarHBondContact O-N 2.8Å; F186-R190 VanDerWaalsContact O-N 3.13Å; F186-F206 AromaticContact CZ-CE1 3.97Å; F186-F206 HydrophobicContact CZ-CE1 3.97Å; F186-F206 HydrophobicContact CZ-CZ 4.01Å; F186-I244 HydrophobicContact CB-CG2 4Å; F186-I244 HydrophobicContact CD2-CG2 3.99Å; F186-I244 HydrophobicContact CG-CG2 4Å; F186-F245 HydrophobicContact CE2-CD2 4.12Å; F186-F245 HydrophobicContact CE2-CE1 4.09Å; F186-F245 AromaticContact CE2-CE2 3.49Å; F186-F245 HydrophobicContact CE2-CE2 3.49Å; F186-F245 VanDerWaalsContact CE2-CE2 3.49Å; F186-F245 AromaticContact CE2-CZ 3.47Å; F186-F245 HydrophobicContact CE2-CZ 3.47Å; F186-F245 VanDerWaalsContact CE2-CZ 3.47Å; F186-F245 HydrophobicContact CZ-CD1 4.11Å; F186-F245 HydrophobicContact CZ-CD2 4.33Å; F186-F245 AromaticContact CZ-CE1 3.55Å; F186-F245 HydrophobicContact CZ-CE1 3.55Å; F186-F245 AromaticContact CZ-CE2 3.84Å; F186-F245 HydrophobicContact CZ-CE2 3.84Å; F186-F245 HydrophobicContact CZ-CG 4.47Å; F186-F245 AromaticContact CZ-CZ 3.41Å; F186-F245 HydrophobicContact CZ-CZ 3.41Å; F186-F245 VanDerWaalsContact CZ-CZ 3.41Å; F186-F248 HydrophobicContact CB-CD2 4.44Å; F186-F248 HydrophobicContact CD1-CB 4.22Å; F186-F248 AromaticContact CD1-CD1 3.82Å; F186-F248 HydrophobicContact CD1-CD1 3.82Å; F186-F248 AromaticContact CD1-CD2 3.64Å; F186-F248 HydrophobicContact CD1-CD2 3.64Å; F186-F248 HydrophobicContact CD1-CE1 4.05Å; F186-F248 AromaticContact CD1-CE2 3.86Å; F186-F248 HydrophobicContact CD1-CE2 3.86Å; F186-F248 AromaticContact CD1-CG 3.62Å; F186-F248 HydrophobicContact CD1-CG 3.62Å; F186-F248 HydrophobicContact CD1-CZ 4.06Å; F186-F248 AromaticContact CE1-CD1 3.79Å; F186-F248 HydrophobicContact CE1-CD1 3.79Å; F186-F248 HydrophobicContact CE1-CD2 4.44Å; F186-F248 HydrophobicContact CE1-CE1 4.02Å; F186-F248 HydrophobicContact CE1-CG 4.01Å; F186-F248 HydrophobicContact CE1-CZ 4.44Å; F186-F248 HydrophobicContact CG-CD2 4.48Å; F186-Y249 HydrophobicContact CE1-CE2 4.05Å; F186-Y249 HydrophobicContact CZ-CE2 4.38Å |
| 187 | D | 96.6 | Very high | 96.7 | Very high | 84 Ų | 84 | 57.6 Ų | 57.6 | 45% | 0.449 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 171.8 | -75.2 | -21.8 | 0 | 0 | 0 | 111.8 | K183 D184 R190 N191 | K183-D187 PolarHBondContact O-N 3.29Å; D184-D187 PolarHBondContact O-N 3.4Å; D187-R190 PolarHBondContact O-N 3.11Å; D187-N191 PolarHBondContact O-ND2 3.21Å |
| 188 | A | 96.1 | Very high | 96.7 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D184 F185 R190 N191 N192 | D184-A188 VanDerWaalsContact O-CB 3.31Å; D184-A188 WeakPolarHBondContact O-CB 3.49Å; D184-A188 PolarHBondContact O-N 3.3Å; F185-A188 PolarHBondContact O-N 3.11Å; A188-R190 VanDerWaalsContact C-N 3.28Å; A188-R190 PolarHBondContact O-N 2.84Å; A188-N191 PolarHBondContact O-N 3.27Å; A188-N191 VanDerWaalsContact O-N 3.07Å; A188-N192 WeakPolarHBondContact O-CB 3.43Å; A188-N192 PolarHBondContact O-N 3.03Å |
| 189 | A | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -33.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F185 F186 N191 L195 F196 V199 F248 | F185-A189 WeakPolarHBondContact O-CB 3.34Å; F185-A189 PolarHBondContact O-N 2.93Å; F186-A189 PolarHBondContact O-N 3.07Å; A189-N191 VanDerWaalsContact C-N 3.25Å; A189-N191 PolarHBondContact O-N 3.08Å; A189-L195 HydrophobicContact CB-CD2 3.86Å; A189-L195 HydrophobicContact CB-CG 3.89Å; A189-F196 WeakPolarHBondContact O-CB 3.42Å; A189-V199 HydrophobicContact CB-CG2 4.41Å; A189-F248 HydrophobicContact CB-CE2 4.06Å; A189-F248 HydrophobicContact CB-CZ 3.97Å |
| 190 | R | 94.2 | Very high | 96.4 | Very high | 122 Ų | 122 | 60.4 Ų | 60.4 | 46% | 0.46 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.6 | -31 | 174.1 | -68.7 | 175.4 | -170.8 | -175.7 | 3.8 | 113.1 | F186 D187 A188 F248 | F186-R190 WeakPolarHBondContact O-CG 3.36Å; F186-R190 PolarHBondContact O-N 2.8Å; F186-R190 VanDerWaalsContact O-N 3.13Å; D187-R190 PolarHBondContact O-N 3.11Å; A188-R190 VanDerWaalsContact C-N 3.28Å; A188-R190 PolarHBondContact O-N 2.84Å; R190-F248 HydrophobicContact CG-CD2 4.05Å; R190-F248 HydrophobicContact CG-CE2 3.75Å |
| 191 | N | 94.3 | Very high | 96.4 | Very high | 146 Ų | 146 | 60.2 Ų | 60.2 | 78% | 0.781 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -102.3 | -7.2 | -173.7 | -63 | -58.5 | 0 | 0 | 0 | 113.5 | D187 A188 A189 | D187-N191 PolarHBondContact O-ND2 3.21Å; A188-N191 PolarHBondContact O-N 3.27Å; A188-N191 VanDerWaalsContact O-N 3.07Å; A189-N191 VanDerWaalsContact C-N 3.25Å; A189-N191 PolarHBondContact O-N 3.08Å |
| 192 | N | 95.9 | Very high | 96.3 | Very high | 78 Ų | 78 | 61.1 Ų | 61.1 | 42% | 0.417 | 31% | 0.314 | S | S | . | . | trans | -118.3 | 103.9 | -179 | -177.5 | -29.1 | 0 | 0 | 0 | 110.3 | A188 S194 L195 F196 | A188-N192 WeakPolarHBondContact O-CB 3.43Å; A188-N192 PolarHBondContact O-N 3.03Å; N192-S194 VanDerWaalsContact C-N 3.25Å; N192-S194 PolarHBondContact O-N 3.1Å; N192-S194 WeakPolarHBondContact OD1-CB 3.23Å; N192-S194 PolarHBondContact OD1-N 3.39Å; N192-S194 VanDerWaalsContact OD1-N 3.09Å; N192-L195 HydrophobicContact CB-CB 3.99Å; N192-L195 PolarHBondContact O-N 2.91Å; N192-L195 VanDerWaalsContact O-N 3.11Å; N192-L195 PolarHBondContact OD1-N 2.88Å; N192-L195 VanDerWaalsContact OD1-N 3.15Å; N192-F196 WeakPolarHBondContact O-CB 3.31Å; N192-F196 PolarHBondContact O-N 3.32Å | ||
| 193 | Q | 94.8 | Very high | 96.2 | Very high | 140 Ų | 140 | 64.6 Ų | 64.6 | 65% | 0.654 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -57 | -36 | -176.7 | -170.7 | 62.5 | 37 | 0 | 0 | 113.6 | T197 | Q193-T197 WeakPolarHBondContact O-CB 3.3Å; Q193-T197 PolarHBondContact O-N 2.65Å; Q193-T197 PolarHBondContact O-OG1 3.44Å |
| 194 | S | 95.1 | Very high | 96.2 | Very high | 75 Ų | 75 | 62.6 Ų | 62.6 | 52% | 0.524 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.9 | -47.7 | 178.4 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | N192 T197 K198 | N192-S194 VanDerWaalsContact C-N 3.25Å; N192-S194 PolarHBondContact O-N 3.1Å; N192-S194 WeakPolarHBondContact OD1-CB 3.23Å; N192-S194 PolarHBondContact OD1-N 3.39Å; N192-S194 VanDerWaalsContact OD1-N 3.09Å; S194-T197 PolarHBondContact O-N 3.14Å; S194-K198 WeakPolarHBondContact O-CG 3.41Å; S194-K198 PolarHBondContact O-N 3.31Å; S194-K198 VanDerWaalsContact O-N 3.1Å |
| 195 | L | 95 | Very high | 96.3 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 177.2 | -174.9 | 57.9 | 0 | 0 | 0 | 111.5 | W134 F185 A189 N192 T197 K198 V199 | W134-L195 HydrophobicContact CZ2-CD1 4.04Å; F185-L195 HydrophobicContact CD2-CD2 4.27Å; F185-L195 HydrophobicContact CE2-CD1 3.79Å; F185-L195 HydrophobicContact CE2-CD2 3.91Å; F185-L195 HydrophobicContact CE2-CG 4.35Å; F185-L195 HydrophobicContact CZ-CD1 3.76Å; F185-L195 HydrophobicContact CZ-CD2 4.26Å; F185-L195 HydrophobicContact CZ-CG 4.32Å; A189-L195 HydrophobicContact CB-CD2 3.86Å; A189-L195 HydrophobicContact CB-CG 3.89Å; N192-L195 HydrophobicContact CB-CB 3.99Å; N192-L195 PolarHBondContact O-N 2.91Å; N192-L195 VanDerWaalsContact O-N 3.11Å; N192-L195 PolarHBondContact OD1-N 2.88Å; N192-L195 VanDerWaalsContact OD1-N 3.15Å; L195-T197 PolarHBondContact O-N 2.74Å; L195-K198 PolarHBondContact O-N 3.26Å; L195-K198 VanDerWaalsContact O-N 3.13Å; L195-V199 HydrophobicContact CD1-CG1 3.98Å; L195-V199 HydrophobicContact CG-CG1 4.3Å; L195-V199 WeakPolarHBondContact O-CG1 3.09Å; L195-V199 WeakPolarHBondContact O-CG2 3.43Å; L195-V199 PolarHBondContact O-N 2.7Å |
| 196 | F | 96.7 | Very high | 96.3 | Very high | 77 Ų | 77 | 58 Ų | 58 | 34% | 0.338 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -53.1 | -43.4 | 175.7 | -170.4 | -97.1 | 0 | 0 | 0 | 112.1 | A189 N192 V199 N200 F248 | A189-F196 WeakPolarHBondContact O-CB 3.42Å; N192-F196 WeakPolarHBondContact O-CB 3.31Å; N192-F196 PolarHBondContact O-N 3.32Å; F196-V199 WeakPolarHBondContact O-CG2 3.42Å; F196-N200 WeakPolarHBondContact CZ-ND2 3.46Å; F196-N200 WeakPolarHBondContact O-CB 3.48Å; F196-N200 PolarHBondContact O-N 3.3Å; F196-N200 PolarHBondContact O-ND2 3.32Å; F196-F248 HydrophobicContact CD2-CE1 4.48Å; F196-F248 HydrophobicContact CD2-CE2 4.28Å; F196-F248 AromaticContact CD2-CZ 3.67Å; F196-F248 HydrophobicContact CD2-CZ 3.67Å; F196-F248 HydrophobicContact CE2-CE1 4.22Å; F196-F248 HydrophobicContact CE2-CE2 4.24Å; F196-F248 AromaticContact CE2-CZ 3.7Å; F196-F248 HydrophobicContact CE2-CZ 3.7Å |
| 197 | T | 96.4 | Very high | 96.4 | Very high | 72 Ų | 72 | 57.9 Ų | 57.9 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.1 | -49.2 | 178.4 | -55.1 | 0 | 0 | 0 | 0 | 110.5 | Q193 S194 L195 V199 N200 E201 | Q193-T197 WeakPolarHBondContact O-CB 3.3Å; Q193-T197 PolarHBondContact O-N 2.65Å; Q193-T197 PolarHBondContact O-OG1 3.44Å; S194-T197 PolarHBondContact O-N 3.14Å; L195-T197 PolarHBondContact O-N 2.74Å; T197-V199 PolarHBondContact O-N 3.16Å; T197-N200 PolarHBondContact O-N 3.29Å; T197-E201 PolarHBondContact O-N 3.29Å |
| 198 | K | 96.1 | Very high | 96.5 | Very high | 61 Ų | 61 | 53.9 Ų | 53.9 | 27% | 0.265 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 179.9 | -69.8 | -177.4 | 175.9 | -172.2 | 0 | 113 | Y132 W134 Y155 S194 L195 N200 E201 | Y132-K198 HydrophobicContact CD2-CB 4.14Å; Y132-K198 HydrophobicContact CE1-CD 4.14Å; Y132-K198 HydrophobicContact CE1-CG 4.43Å; Y132-K198 HydrophobicContact CE2-CB 3.95Å; Y132-K198 HydrophobicContact CE2-CG 3.93Å; W134-K198 HydrophobicContact CH2-CB 3.88Å; W134-K198 HydrophobicContact CZ2-CB 4.01Å; Y155-K198 PolarHBondContact OH-NZ 2.68Å; S194-K198 WeakPolarHBondContact O-CG 3.41Å; S194-K198 PolarHBondContact O-N 3.31Å; S194-K198 VanDerWaalsContact O-N 3.1Å; L195-K198 PolarHBondContact O-N 3.26Å; L195-K198 VanDerWaalsContact O-N 3.13Å; K198-N200 PolarHBondContact O-N 3.1Å; K198-E201 WeakPolarHBondContact O-CB 3.45Å; K198-E201 PolarHBondContact O-N 2.83Å |
| 199 | V | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.5 | -11.3 | -178.5 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | R45 W134 F185 A189 L195 F196 T197 F206 F248 Y249 | R45-V199 PolarHBondContact NH1-O 2.75Å; W134-V199 HydrophobicContact CE3-CG1 4.4Å; W134-V199 HydrophobicContact CH2-CB 4.32Å; W134-V199 HydrophobicContact CH2-CG1 3.62Å; W134-V199 HydrophobicContact CZ2-CG1 3.89Å; W134-V199 HydrophobicContact CZ3-CB 4.42Å; W134-V199 HydrophobicContact CZ3-CG1 3.88Å; F185-V199 HydrophobicContact CE1-CG1 3.76Å; F185-V199 HydrophobicContact CZ-CG1 3.62Å; A189-V199 HydrophobicContact CB-CG2 4.41Å; L195-V199 HydrophobicContact CD1-CG1 3.98Å; L195-V199 HydrophobicContact CG-CG1 4.3Å; L195-V199 WeakPolarHBondContact O-CG1 3.09Å; L195-V199 WeakPolarHBondContact O-CG2 3.43Å; L195-V199 PolarHBondContact O-N 2.7Å; F196-V199 WeakPolarHBondContact O-CG2 3.42Å; T197-V199 PolarHBondContact O-N 3.16Å; V199-F206 HydrophobicContact CB-CZ 4.4Å; V199-F248 HydrophobicContact CG2-CE1 3.79Å; V199-F248 HydrophobicContact CG2-CZ 3.85Å; V199-Y249 WeakPolarHBondContact O-CE1 3.24Å; V199-Y249 PolarHBondContact O-OH 3.33Å |
| 200 | N | 96 | Very high | 96.7 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 0.6 | 176.5 | -82.3 | -72 | 0 | 0 | 0 | 113.9 | F196 T197 K198 Y249 | F196-N200 WeakPolarHBondContact CZ-ND2 3.46Å; F196-N200 WeakPolarHBondContact O-CB 3.48Å; F196-N200 PolarHBondContact O-N 3.3Å; F196-N200 PolarHBondContact O-ND2 3.32Å; T197-N200 PolarHBondContact O-N 3.29Å; K198-N200 PolarHBondContact O-N 3.1Å; N200-Y249 WeakPolarHBondContact OD1-CD1 3.33Å; N200-Y249 VanDerWaalsContact OD1-CE1 3.3Å; N200-Y249 WeakPolarHBondContact OD1-CE1 3.2Å |
| 201 | E | 96.5 | Very high | 96.7 | Very high | 66 Ų | 66 | 46.6 Ų | 46.6 | 31% | 0.308 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -67.2 | 169.6 | 171.4 | -73.7 | -79.9 | -159.7 | 0 | 0 | 112.2 | K131 Y132 T197 K198 V204 | K131-E201 HydrophobicContact CD-CB 4.16Å; K131-E201 IonicContact NZ-OE1 3.3Å; K131-E201 PolarHBondContact NZ-OE1 3.35Å; K131-E201 IonicContact NZ-OE2 2.67Å; K131-E201 PolarHBondContact NZ-OE2 2.95Å; Y132-E201 HydrophobicContact CD2-CB 4.41Å; Y132-E201 HydrophobicContact CE2-CB 4.48Å; Y132-E201 HydrophobicContact CE2-CG 4.24Å; T197-E201 PolarHBondContact O-N 3.29Å; K198-E201 WeakPolarHBondContact O-CB 3.45Å; K198-E201 PolarHBondContact O-N 2.83Å; E201-V204 HydrophobicContact CB-CG2 4.26Å; E201-V204 WeakPolarHBondContact O-CG2 3.47Å |
| 202 | E | 96.5 | Very high | 96.7 | Very high | 91 Ų | 91 | 39.7 Ų | 39.7 | 43% | 0.425 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -88 | 161.1 | 173 | -54.5 | -170.6 | 163.8 | 0 | 0 | 111 | K44 K131 V204 | K44-E202 HydrophobicContact CD-CG 4.01Å; K44-E202 WeakPolarHBondContact CE-OE1 3.29Å; K44-E202 HydrophobicContact CG-CG 4.04Å; K44-E202 IonicContact NZ-OE1 3.37Å; K44-E202 PolarHBondContact NZ-OE1 3.13Å; K44-E202 VanDerWaalsContact NZ-OE1 3.08Å; K44-E202 CarbonylContact O-C 3.55Å; K131-E202 WeakPolarHBondContact CB-O 3.23Å; E202-V204 VanDerWaalsContact C-N 3.34Å |
| 203 | K | 97.1 | Very high | 96.7 | Very high | 74 Ų | 74 | 36 Ų | 36 | 32% | 0.322 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 63.2 | 38.4 | -179.4 | -55.1 | 172.1 | 174.9 | -157.7 | 0 | 112.9 | K44 S130 K131 I332 G333 V334 | K44-K203 PolarHBondContact O-N 3.28Å; S130-K203 WeakPolarHBondContact CB-O 3.46Å; K131-K203 HydrophobicContact CB-CB 4.03Å; K131-K203 PolarHBondContact N-O 3.45Å; K203-I332 WeakPolarHBondContact CG-O 3.44Å; K203-G333 WeakPolarHBondContact CE-O 3.3Å; K203-G333 PolarHBondContact NZ-O 3.04Å; K203-V334 HydrophobicContact CB-CG1 3.74Å; K203-V334 HydrophobicContact CD-CG1 3.91Å; K203-V334 HydrophobicContact CG-CG1 3.82Å |
| 204 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 137.4 | 179.7 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | K44 R45 L46 Y132 W134 E201 E202 F206 | K44-V204 PolarHBondContact O-N 3.07Å; K44-V204 VanDerWaalsContact O-N 3.16Å; R45-V204 CarbonylContact C-O 3.59Å; R45-V204 VanDerWaalsContact CA-O 3.22Å; R45-V204 WeakPolarHBondContact CA-O 3.26Å; R45-V204 HydrophobicContact CB-CB 4.09Å; R45-V204 HydrophobicContact CB-CG1 4.44Å; L46-V204 PolarHBondContact N-O 3.21Å; Y132-V204 WeakPolarHBondContact O-CA 3.22Å; W134-V204 HydrophobicContact CE3-CG1 3.96Å; W134-V204 HydrophobicContact CZ3-CG1 3.55Å; W134-V204 HydrophobicContact CZ3-CG2 4.37Å; E201-V204 HydrophobicContact CB-CG2 4.26Å; E201-V204 WeakPolarHBondContact O-CG2 3.47Å; E202-V204 VanDerWaalsContact C-N 3.34Å; V204-F206 HydrophobicContact CB-CE2 4.49Å; V204-F206 HydrophobicContact CG1-CD2 3.92Å; V204-F206 HydrophobicContact CG1-CE1 4.41Å; V204-F206 HydrophobicContact CG1-CE2 3.3Å; V204-F206 HydrophobicContact CG1-CZ 3.59Å |
| 205 | V | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 136.4 | 174.8 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | L46 L126 F127 Y132 T133 W134 I332 | L46-V205 CarbonylContact O-C 3.52Å; L46-V205 WeakPolarHBondContact O-CA 3.27Å; L126-V205 HydrophobicContact CD2-CG1 4.39Å; L126-V205 HydrophobicContact CD2-CG2 4.07Å; L126-V205 HydrophobicContact CG-CG2 4.43Å; F127-V205 HydrophobicContact CD1-CG1 3.96Å; F127-V205 HydrophobicContact CE1-CG1 3.69Å; Y132-V205 PolarHBondContact O-N 3.41Å; T133-V205 VanDerWaalsContact CA-O 3.3Å; T133-V205 WeakPolarHBondContact CA-O 3.31Å; T133-V205 HydrophobicContact CG2-CB 4.34Å; T133-V205 HydrophobicContact CG2-CG1 4.46Å; W134-V205 PolarHBondContact N-O 3.32Å; V205-I332 HydrophobicContact CG2-CD1 3.68Å |
| 206 | F | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 120.6 | 169.8 | -61.7 | -83.9 | 0 | 0 | 0 | 108.5 | R45 L46 V47 L48 W134 W136 F185 F186 V199 V204 F245 | R45-F206 HydrophobicContact CB-CE2 4.39Å; L46-F206 PolarHBondContact O-N 2.92Å; V47-F206 CarbonylContact C-O 3.51Å; V47-F206 WeakPolarHBondContact CA-O 3.47Å; V47-F206 HydrophobicContact CG1-CB 4.3Å; V47-F206 HydrophobicContact CG2-CB 4.33Å; V47-F206 HydrophobicContact CG2-CD2 4.27Å; L48-F206 PolarHBondContact N-O 3.23Å; W134-F206 HydrophobicContact CB-CD1 4.11Å; W134-F206 HydrophobicContact CB-CE1 4.4Å; W134-F206 HydrophobicContact CD2-CE1 4.2Å; W134-F206 HydrophobicContact CE3-CD1 4.16Å; W134-F206 AromaticContact CE3-CE1 3.56Å; W134-F206 HydrophobicContact CE3-CE1 3.56Å; W134-F206 AromaticContact CE3-CZ 3.98Å; W134-F206 HydrophobicContact CE3-CZ 3.98Å; W134-F206 HydrophobicContact CZ3-CE1 4.23Å; W134-F206 HydrophobicContact CZ3-CZ 4.22Å; W134-F206 CarbonylContact O-C 3.38Å; W134-F206 WeakPolarHBondContact O-CA 3.44Å; W136-F206 AromaticContact CH2-CD1 3.84Å; W136-F206 HydrophobicContact CH2-CD1 3.84Å; W136-F206 HydrophobicContact CH2-CE1 4.42Å; W136-F206 HydrophobicContact CZ3-CB 4.34Å; W136-F206 AromaticContact CZ3-CD1 3.92Å; W136-F206 HydrophobicContact CZ3-CD1 3.92Å; F185-F206 AromaticContact CE1-CE1 3.95Å; F185-F206 HydrophobicContact CE1-CE1 3.95Å; F186-F206 AromaticContact CZ-CE1 3.97Å; F186-F206 HydrophobicContact CZ-CE1 3.97Å; F186-F206 HydrophobicContact CZ-CZ 4.01Å; V199-F206 HydrophobicContact CB-CZ 4.4Å; V204-F206 HydrophobicContact CB-CE2 4.49Å; V204-F206 HydrophobicContact CG1-CD2 3.92Å; V204-F206 HydrophobicContact CG1-CE1 4.41Å; V204-F206 HydrophobicContact CG1-CE2 3.3Å; V204-F206 HydrophobicContact CG1-CZ 3.59Å; F206-F245 HydrophobicContact CB-CE1 4.47Å; F206-F245 HydrophobicContact CB-CZ 3.92Å; F206-F245 HydrophobicContact CD1-CE1 4.44Å; F206-F245 HydrophobicContact CD1-CZ 4.01Å; F206-F245 AromaticContact CD2-CE1 3.43Å; F206-F245 HydrophobicContact CD2-CE1 3.43Å; F206-F245 VanDerWaalsContact CD2-CE1 3.43Å; F206-F245 AromaticContact CD2-CZ 3.69Å; F206-F245 HydrophobicContact CD2-CZ 3.69Å; F206-F245 HydrophobicContact CE1-CZ 4.43Å; F206-F245 AromaticContact CE2-CE1 3.59Å; F206-F245 HydrophobicContact CE2-CE1 3.59Å; F206-F245 HydrophobicContact CE2-CZ 4.12Å; F206-F245 AromaticContact CG-CE1 3.87Å; F206-F245 HydrophobicContact CG-CE1 3.87Å; F206-F245 AromaticContact CG-CZ 3.59Å; F206-F245 HydrophobicContact CG-CZ 3.59Å; F206-F245 HydrophobicContact CZ-CE1 4.18Å; F206-F245 HydrophobicContact CZ-CZ 4.48Å |
| 207 | F | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 121.2 | -178.4 | 173.6 | -135.3 | 0 | 0 | 0 | 110.9 | L48 V50 H98 I102 F127 W134 S135 W136 I141 L142 H209 | L48-F207 HydrophobicContact CB-CD2 4.27Å; L48-F207 HydrophobicContact CD2-CD2 3.8Å; L48-F207 HydrophobicContact CD2-CE2 4.17Å; L48-F207 HydrophobicContact CG-CD2 3.94Å; L48-F207 HydrophobicContact CG-CE2 4.39Å; V50-F207 HydrophobicContact CB-CE2 4.01Å; V50-F207 HydrophobicContact CG2-CE2 3.68Å; H98-F207 AromaticContact CD2-CZ 3.74Å; H98-F207 AromaticContact NE2-CZ 3.97Å; I102-F207 HydrophobicContact CD1-CE1 4.28Å; I102-F207 HydrophobicContact CD1-CZ 4.22Å; F127-F207 HydrophobicContact CE1-CB 4.3Å; F127-F207 HydrophobicContact CE2-CB 4.26Å; F127-F207 AromaticContact CE2-CD1 3.7Å; F127-F207 HydrophobicContact CE2-CD1 3.7Å; F127-F207 HydrophobicContact CE2-CE1 4.38Å; F127-F207 HydrophobicContact CE2-CG 4.16Å; F127-F207 HydrophobicContact CZ-CB 3.63Å; F127-F207 AromaticContact CZ-CD1 3.64Å; F127-F207 HydrophobicContact CZ-CD1 3.64Å; F127-F207 HydrophobicContact CZ-CD2 4.39Å; F127-F207 HydrophobicContact CZ-CE1 4.42Å; F127-F207 AromaticContact CZ-CG 3.63Å; F127-F207 HydrophobicContact CZ-CG 3.63Å; W134-F207 PolarHBondContact O-N 3.08Å; S135-F207 CarbonylContact C-O 3.59Å; S135-F207 VanDerWaalsContact CA-O 3.25Å; S135-F207 WeakPolarHBondContact CA-O 3.36Å; W136-F207 PolarHBondContact N-O 3.12Å; I141-F207 HydrophobicContact CG2-CE1 4.32Å; I141-F207 HydrophobicContact CG2-CZ 4.42Å; L142-F207 HydrophobicContact CD1-CD1 4.48Å; L142-F207 HydrophobicContact CD1-CE1 4Å; F207-H209 HydrophobicContact CE1-CB 4.09Å; F207-H209 HydrophobicContact CE2-CB 4.23Å; F207-H209 HydrophobicContact CZ-CB 3.7Å |
| 208 | L | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 109.1 | 177.3 | -66.2 | 84.3 | 0 | 0 | 0 | 108.4 | V47 L48 F49 V50 W136 V178 F179 V182 I241 | V47-L208 HydrophobicContact CG1-CD1 3.87Å; L48-L208 PolarHBondContact O-N 3.22Å; F49-L208 HydrophobicContact CD1-CB 3.93Å; F49-L208 HydrophobicContact CD1-CD1 4.18Å; F49-L208 HydrophobicContact CD1-CD2 3.9Å; F49-L208 HydrophobicContact CD1-CG 4.24Å; F49-L208 HydrophobicContact CE1-CB 4.46Å; F49-L208 HydrophobicContact CE1-CD1 4.02Å; F49-L208 HydrophobicContact CE1-CD2 3.62Å; F49-L208 HydrophobicContact CE1-CG 4.26Å; V50-L208 PolarHBondContact N-O 3.34Å; W136-L208 HydrophobicContact CE3-CG 4.41Å; V178-L208 HydrophobicContact CG1-CB 3.99Å; V178-L208 HydrophobicContact CG1-CD2 3.97Å; V178-L208 HydrophobicContact CG1-CG 4.11Å; F179-L208 HydrophobicContact CD1-CD2 4.2Å; F179-L208 HydrophobicContact CE1-CD2 4.32Å; V182-L208 HydrophobicContact CG2-CD2 3.78Å; V182-L208 HydrophobicContact CG2-CG 4.12Å; L208-I241 HydrophobicContact CD2-CG1 4.33Å; L208-I241 HydrophobicContact CD2-CG2 4.36Å |
| 209 | H | 98.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 115.3 | 174.8 | 176.1 | -101 | 0 | 0 | 0 | 110.1 | D52 H98 W136 S138 L142 F207 | D52-H209 IonicContact OD2-CE1 3.49Å; D52-H209 IonicContact OD2-NE2 3.49Å; D52-H209 PolarHBondContact OD2-NE2 3.35Å; D52-H209 VanDerWaalsContact OD2-NE2 3.14Å; H98-H209 AromaticContact CE1-CD2 3.47Å; H98-H209 PolarHBondContact CE1-CD2 2.94Å; H98-H209 VanDerWaalsContact CE1-CD2 3.47Å; H98-H209 AromaticContact CE1-NE2 3.42Å; H98-H209 PolarHBondContact CE1-NE2 2.81Å; H98-H209 AromaticContact NE2-CD2 3.12Å; H98-H209 PolarHBondContact NE2-CD2 3.22Å; H98-H209 AromaticContact NE2-NE2 3.61Å; W136-H209 PolarHBondContact O-N 3.04Å; S138-H209 WeakPolarHBondContact CB-ND1 3.29Å; S138-H209 PolarHBondContact N-ND1 3.1Å; L142-H209 HydrophobicContact CD1-CB 3.95Å; F207-H209 HydrophobicContact CE1-CB 4.09Å; F207-H209 HydrophobicContact CE2-CB 4.23Å; F207-H209 HydrophobicContact CZ-CB 3.7Å |
| 210 | L | 98 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 96.1 | -171.8 | -54.3 | 173.5 | 0 | 0 | 0 | 109.7 | V50 D52 D175 V178 F179 V234 | V50-L210 PolarHBondContact O-N 3.27Å; D52-L210 PolarHBondContact N-O 3.4Å; D175-L210 HydrophobicContact CB-CD2 4.23Å; D175-L210 VanDerWaalsContact OD1-CA 3.22Å; D175-L210 WeakPolarHBondContact OD1-CA 3.45Å; D175-L210 WeakPolarHBondContact OD1-CB 3.4Å; V178-L210 HydrophobicContact CB-CD2 4Å; V178-L210 HydrophobicContact CG1-CD2 3.76Å; F179-L210 HydrophobicContact CD1-CD2 4.47Å; F179-L210 HydrophobicContact CE1-CD1 4.12Å; F179-L210 HydrophobicContact CE1-CD2 3.8Å; F179-L210 HydrophobicContact CE2-CD2 4.35Å; F179-L210 HydrophobicContact CZ-CD1 3.79Å; F179-L210 HydrophobicContact CZ-CD2 3.73Å; F179-L210 HydrophobicContact CZ-CG 4.43Å; L210-V234 HydrophobicContact CD1-CG1 3.78Å; L210-V234 HydrophobicContact CD1-CG2 4.38Å |
| 211 | L | 95.6 | Very high | 94.2 | Very high | 16 Ų | 16 | 25.2 Ų | 25.2 | 8% | 0.084 | 13% | 0.125 | C | C | . | . | trans | -84.2 | -13.4 | -171.4 | -175 | 60.2 | 0 | 0 | 0 | 114.3 | D52 Y159 E164 L174 D175 I213 D214 T215 | D52-L211 HydrophobicContact CB-CD1 4.19Å; Y159-L211 WeakPolarHBondContact OH-CB 3.46Å; Y159-L211 VanDerWaalsContact OH-CD2 3.25Å; Y159-L211 WeakPolarHBondContact OH-CD2 3.48Å; E164-L211 HydrophobicContact CG-CD2 3.97Å; E164-L211 WeakPolarHBondContact OE1-CD2 3.27Å; L174-L211 HydrophobicContact CD1-CB 4.32Å; L174-L211 HydrophobicContact CD1-CD2 4.17Å; L174-L211 HydrophobicContact CD1-CG 4.27Å; D175-L211 PolarHBondContact OD1-N 3.04Å; D175-L211 VanDerWaalsContact OD1-N 3.11Å; L211-I213 VanDerWaalsContact C-N 3.3Å; L211-I213 PolarHBondContact O-N 3.2Å; L211-D214 HydrophobicContact CD1-CB 4.2Å; L211-D214 PolarHBondContact O-N 3.25Å; L211-T215 PolarHBondContact O-N 2.8Å; L211-T215 VanDerWaalsContact O-N 3.11Å; L211-T215 PolarHBondContact O-OG1 2.82Å; L211-T215 VanDerWaalsContact O-OG1 3.09Å | ||
| 212 | G | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.1 | -32.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A171 D175 N216 N230 | A171-G212 WeakPolarHBondContact O-CA 3.43Å; D175-G212 PolarHBondContact OD1-N 3.15Å; D175-G212 WeakPolarHBondContact OD2-CA 3.45Å; G212-N216 WeakPolarHBondContact O-CB 3.36Å; G212-N216 PolarHBondContact O-N 2.91Å; G212-N216 PolarHBondContact O-ND2 3.11Å; G212-N230 VanDerWaalsContact C-OD1 3.26Å; G212-N230 PolarHBondContact O-OD1 3.09Å |
| 213 | I | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.6 | -50.1 | 178.9 | -69.2 | 168.7 | 0 | 0 | 0 | 110.7 | A51 D52 L54 L211 T215 N216 G217 Y227 N230 I231 V234 | A51-I213 HydrophobicContact CB-CD1 4.02Å; D52-I213 WeakPolarHBondContact O-CB 3.48Å; L54-I213 HydrophobicContact CB-CD1 4.45Å; L54-I213 HydrophobicContact CB-CG2 4.17Å; L54-I213 HydrophobicContact CD1-CD1 4.33Å; L54-I213 HydrophobicContact CD1-CG2 4.39Å; L211-I213 VanDerWaalsContact C-N 3.3Å; L211-I213 PolarHBondContact O-N 3.2Å; I213-T215 PolarHBondContact O-N 3.21Å; I213-N216 PolarHBondContact O-N 2.98Å; I213-G217 PolarHBondContact O-N 2.76Å; I213-Y227 HydrophobicContact CG2-CD2 3.92Å; I213-Y227 HydrophobicContact CG2-CE1 4.41Å; I213-Y227 HydrophobicContact CG2-CE2 3.28Å; I213-Y227 VanDerWaalsContact O-CD2 3.28Å; I213-Y227 WeakPolarHBondContact O-CD2 3.35Å; I213-Y227 WeakPolarHBondContact O-CE2 3.37Å; I213-N230 HydrophobicContact CG1-CB 4.1Å; I213-N230 WeakPolarHBondContact CG1-ND2 3.4Å; I213-I231 HydrophobicContact CD1-CG1 3.96Å; I213-I231 HydrophobicContact CG1-CG1 4.33Å; I213-V234 HydrophobicContact CD1-CB 4.19Å; I213-V234 HydrophobicContact CD1-CG1 4.46Å; I213-V234 HydrophobicContact CD1-CG2 3.82Å; I213-V234 HydrophobicContact CG1-CG2 4.29Å |
| 214 | D | 94.8 | Very high | 93.1 | Very high | 11 Ų | 11 | 19.3 Ų | 19.3 | 6% | 0.059 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 176.1 | -176.6 | 65.4 | 0 | 0 | 0 | 112 | D52 L211 N216 G217 H218 H263 M265 H271 | D52-D214 HydrophobicContact CB-CB 4Å; D52-D214 PolarHBondContact O-N 2.93Å; D52-D214 WeakPolarHBondContact OD1-CB 3.43Å; L211-D214 HydrophobicContact CD1-CB 4.2Å; L211-D214 PolarHBondContact O-N 3.25Å; D214-N216 VanDerWaalsContact C-N 3.32Å; D214-N216 PolarHBondContact O-N 3.06Å; D214-G217 CarbonylContact O-C 3.6Å; D214-G217 VanDerWaalsContact O-CA 3.25Å; D214-G217 WeakPolarHBondContact O-CA 3.42Å; D214-G217 PolarHBondContact O-N 3.11Å; D214-H218 PolarHBondContact O-CD2 2.97Å; D214-H218 VanDerWaalsContact O-CD2 3.32Å; D214-H218 PolarHBondContact O-N 3.49Å; D214-H218 IonicContact OD1-CD2 2.84Å; D214-H218 IonicContact OD1-NE2 3.74Å; D214-H218 PolarHBondContact OD1-NE2 2.78Å; D214-H218 IonicContact OD2-CD2 3.45Å; D214-H218 PolarHBondContact OD2-CD2 3.21Å; D214-H218 IonicContact OD2-NE2 3.69Å; D214-H218 PolarHBondContact OD2-NE2 3.01Å; D214-H263 IonicContact OD1-CE1 3.55Å; D214-H263 PolarHBondContact OD1-CE1 3.24Å; D214-M265 WeakPolarHBondContact OD1-CE 3.47Å; D214-H271 IonicContact OD1-CD2 3.49Å; D214-H271 IonicContact OD1-NE2 3.75Å |
| 215 | T | 91.5 | Very high | 92.8 | Very high | 23 Ų | 23 | 28.2 Ų | 28.2 | 14% | 0.141 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58 | -44.6 | 178.6 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | A171 L211 I213 G217 A219 | A171-T215 HydrophobicContact CB-CG2 3.56Å; L211-T215 PolarHBondContact O-N 2.8Å; L211-T215 VanDerWaalsContact O-N 3.11Å; L211-T215 PolarHBondContact O-OG1 2.82Å; L211-T215 VanDerWaalsContact O-OG1 3.09Å; I213-T215 PolarHBondContact O-N 3.21Å; T215-G217 VanDerWaalsContact C-N 3.31Å; T215-A219 VanDerWaalsContact O-CB 3.24Å; T215-A219 WeakPolarHBondContact O-CB 3.48Å; T215-A219 PolarHBondContact O-N 3.06Å |
| 216 | N | 91.3 | Very high | 92.5 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 3% | 0.032 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.2 | -30.7 | 173.4 | -81.7 | -44 | 0 | 0 | 0 | 112.4 | G212 I213 D214 H220 R221 N230 | G212-N216 WeakPolarHBondContact O-CB 3.36Å; G212-N216 PolarHBondContact O-N 2.91Å; G212-N216 PolarHBondContact O-ND2 3.11Å; I213-N216 PolarHBondContact O-N 2.98Å; D214-N216 VanDerWaalsContact C-N 3.32Å; D214-N216 PolarHBondContact O-N 3.06Å; N216-H220 WeakPolarHBondContact O-CA 3.34Å; N216-H220 WeakPolarHBondContact O-CB 3.45Å; N216-H220 PolarHBondContact O-N 3.27Å; N216-H220 PolarHBondContact OD1-CD2 3.26Å; N216-R221 PolarHBondContact O-N 3.38Å; N216-N230 PolarHBondContact ND2-OD1 2.8Å |
| 217 | G | 91.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.4 | -51 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I213 D214 T215 R221 G269 | I213-G217 PolarHBondContact O-N 2.76Å; D214-G217 CarbonylContact O-C 3.6Å; D214-G217 VanDerWaalsContact O-CA 3.25Å; D214-G217 WeakPolarHBondContact O-CA 3.42Å; D214-G217 PolarHBondContact O-N 3.11Å; T215-G217 VanDerWaalsContact C-N 3.31Å; G217-R221 WeakPolarHBondContact O-CA 3.41Å; G217-R221 PolarHBondContact O-N 2.85Å; G217-G269 WeakPolarHBondContact O-CA 3.46Å |
| 218 | H | 87.7 | Confident | 92.1 | Very high | 86 Ų | 86 | 33.7 Ų | 33.7 | 40% | 0.398 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.8 | -47.5 | 175.1 | -72.1 | -70.1 | 0 | 0 | 0 | 112.7 | D214 G269 H271 | D214-H218 PolarHBondContact O-CD2 2.97Å; D214-H218 VanDerWaalsContact O-CD2 3.32Å; D214-H218 PolarHBondContact O-N 3.49Å; D214-H218 IonicContact OD1-CD2 2.84Å; D214-H218 IonicContact OD1-NE2 3.74Å; D214-H218 PolarHBondContact OD1-NE2 2.78Å; D214-H218 IonicContact OD2-CD2 3.45Å; D214-H218 PolarHBondContact OD2-CD2 3.21Å; D214-H218 IonicContact OD2-NE2 3.69Å; D214-H218 PolarHBondContact OD2-NE2 3.01Å; H218-G269 PolarHBondContact ND1-O 3.37Å; H218-G269 VanDerWaalsContact ND1-O 3.08Å; H218-H271 AromaticContact CE1-CD2 3.22Å; H218-H271 PolarHBondContact CE1-CD2 2.96Å; H218-H271 AromaticContact CE1-NE2 3.12Å; H218-H271 PolarHBondContact CE1-NE2 3.3Å; H218-H271 AromaticContact NE2-CD2 3.32Å; H218-H271 PolarHBondContact NE2-CD2 2.67Å; H218-H271 VanDerWaalsContact NE2-CD2 3.32Å; H218-H271 AromaticContact NE2-NE2 2.95Å; H218-H271 PolarHBondContact NE2-NE2 2.96Å |
| 219 | A | 83.8 | Confident | 91.9 | Very high | 52 Ų | 52 | 36 Ų | 36 | 43% | 0.43 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -74.7 | -36.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T215 | T215-A219 VanDerWaalsContact O-CB 3.24Å; T215-A219 WeakPolarHBondContact O-CB 3.48Å; T215-A219 PolarHBondContact O-N 3.06Å |
| 220 | H | 83.7 | Confident | 91.8 | Very high | 36 Ų | 36 | 36 Ų | 36 | 17% | 0.167 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -127.1 | -10.6 | -168 | -58.4 | -37.6 | 0 | 0 | 0 | 114.2 | N216 S224 E226 | N216-H220 WeakPolarHBondContact O-CA 3.34Å; N216-H220 WeakPolarHBondContact O-CB 3.45Å; N216-H220 PolarHBondContact O-N 3.27Å; N216-H220 PolarHBondContact OD1-CD2 3.26Å; H220-S224 WeakPolarHBondContact CB-OG 3.43Å; H220-S224 VanDerWaalsContact O-CB 3.22Å; H220-S224 WeakPolarHBondContact O-CB 3.46Å; H220-E226 HydrophobicContact CB-CB 4.2Å; H220-E226 VanDerWaalsContact CD2-CB 3.49Å; H220-E226 WeakPolarHBondContact CD2-CB 3.41Å |
| 221 | R | 88.1 | Confident | 91.8 | Very high | 67 Ų | 67 | 36.1 Ų | 36.1 | 25% | 0.253 | 18% | 0.182 | S | C | . | . | trans | 76.5 | 152 | -177.3 | -48.6 | 175.9 | -178.6 | 150.1 | 5.1 | 113.7 | N216 G217 S223 S224 | N216-R221 PolarHBondContact O-N 3.38Å; G217-R221 WeakPolarHBondContact O-CA 3.41Å; G217-R221 PolarHBondContact O-N 2.85Å; R221-S223 PolarHBondContact O-N 3Å; R221-S223 VanDerWaalsContact O-N 3.14Å; R221-S224 VanDerWaalsContact O-CB 3.24Å; R221-S224 WeakPolarHBondContact O-CB 3.48Å; R221-S224 PolarHBondContact O-N 2.92Å; R221-S224 PolarHBondContact O-OG 2.89Å | ||
| 222 | P | 90 | Very high | 91.9 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24.6 | -177.2 | -28.6 | 37.5 | 0 | 0 | 0 | 115.9 | S224 Y227 M265 T266 | P222-S224 PolarHBondContact O-N 3.12Å; P222-Y227 HydrophobicContact CB-CD1 4.14Å; P222-Y227 HydrophobicContact CB-CE1 4Å; P222-Y227 HydrophobicContact CB-CG 4.47Å; P222-Y227 VanDerWaalsContact O-CD1 3.28Å; P222-Y227 WeakPolarHBondContact O-CD1 3.45Å; P222-M265 HydrophobicContact CG-CB 3.91Å; P222-M265 HydrophobicContact CG-CG 3.76Å; P222-T266 WeakPolarHBondContact CD-O 3.34Å; P222-T266 VanDerWaalsContact CG-O 3.3Å; P222-T266 WeakPolarHBondContact CG-O 3.42Å |
| 223 | S | 88.7 | Confident | 92 | Very high | 88 Ų | 88 | 43.8 Ų | 43.8 | 62% | 0.615 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9 | 177.4 | 64.5 | 0 | 0 | 0 | 0 | 113.7 | R221 | R221-S223 PolarHBondContact O-N 3Å; R221-S223 VanDerWaalsContact O-N 3.14Å |
| 224 | S | 89.7 | Confident | 92.1 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -71.1 | 160.9 | -175.5 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | H220 R221 P222 E226 Y227 K228 | H220-S224 WeakPolarHBondContact CB-OG 3.43Å; H220-S224 VanDerWaalsContact O-CB 3.22Å; H220-S224 WeakPolarHBondContact O-CB 3.46Å; R221-S224 VanDerWaalsContact O-CB 3.24Å; R221-S224 WeakPolarHBondContact O-CB 3.48Å; R221-S224 PolarHBondContact O-N 2.92Å; R221-S224 PolarHBondContact O-OG 2.89Å; P222-S224 PolarHBondContact O-N 3.12Å; S224-E226 VanDerWaalsContact C-N 3.31Å; S224-E226 WeakPolarHBondContact CB-OE2 3.24Å; S224-Y227 WeakPolarHBondContact OG-CB 3.48Å; S224-Y227 PolarHBondContact OG-N 3.36Å; S224-Y227 VanDerWaalsContact OG-N 3.15Å; S224-K228 WeakPolarHBondContact O-CG 3.24Å; S224-K228 PolarHBondContact O-N 3.43Å |
| 225 | R | 91.6 | Very high | 92.3 | Very high | 188 Ų | 188 | 43.5 Ų | 43.5 | 71% | 0.709 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -66.9 | -37.9 | 172.8 | 179.4 | 176 | 175.3 | 179 | 0.6 | 110.6 | K228 D229 | R225-K228 PolarHBondContact O-N 2.91Å; R225-D229 WeakPolarHBondContact CG-OD2 3.41Å; R225-D229 IonicContact CZ-OD2 3.21Å; R225-D229 IonicContact NE-OD2 3.14Å; R225-D229 PolarHBondContact NE-OD2 2.64Å; R225-D229 IonicContact NH2-OD2 3.99Å; R225-D229 VanDerWaalsContact O-CB 3.23Å; R225-D229 WeakPolarHBondContact O-CB 3.35Å; R225-D229 PolarHBondContact O-N 2.96Å |
| 226 | E | 91.7 | Very high | 92.7 | Very high | 62 Ų | 62 | 46.8 Ų | 46.8 | 29% | 0.29 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62 | -48.9 | -178.2 | -65.9 | 75.3 | -171.8 | 0 | 0 | 111.4 | H220 S224 K228 N230 K677 | H220-E226 HydrophobicContact CB-CB 4.2Å; H220-E226 VanDerWaalsContact CD2-CB 3.49Å; H220-E226 WeakPolarHBondContact CD2-CB 3.41Å; S224-E226 VanDerWaalsContact C-N 3.31Å; S224-E226 WeakPolarHBondContact CB-OE2 3.24Å; E226-K228 PolarHBondContact O-N 3.49Å; E226-N230 VanDerWaalsContact O-CB 3.3Å; E226-N230 WeakPolarHBondContact O-CB 3.44Å; E226-N230 PolarHBondContact O-N 3.15Å; E226-K677 IonicContact OE1-NZ 3.63Å; E226-K677 PolarHBondContact OE1-NZ 3.25Å |
| 227 | Y | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.1 | -48.6 | 174.6 | -175.1 | -92.5 | 0 | 0 | 0 | 111.6 | G53 R55 T58 I213 P222 S224 N230 I231 | G53-Y227 PolarHBondContact O-OH 3.17Å; R55-Y227 PolarHBondContact N-OH 3.47Å; T58-Y227 HydrophobicContact CG2-CD1 4.3Å; T58-Y227 HydrophobicContact CG2-CE1 3.92Å; I213-Y227 HydrophobicContact CG2-CD2 3.92Å; I213-Y227 HydrophobicContact CG2-CE1 4.41Å; I213-Y227 HydrophobicContact CG2-CE2 3.28Å; I213-Y227 VanDerWaalsContact O-CD2 3.28Å; I213-Y227 WeakPolarHBondContact O-CD2 3.35Å; I213-Y227 WeakPolarHBondContact O-CE2 3.37Å; P222-Y227 HydrophobicContact CB-CD1 4.14Å; P222-Y227 HydrophobicContact CB-CE1 4Å; P222-Y227 HydrophobicContact CB-CG 4.47Å; P222-Y227 VanDerWaalsContact O-CD1 3.28Å; P222-Y227 WeakPolarHBondContact O-CD1 3.45Å; S224-Y227 WeakPolarHBondContact OG-CB 3.48Å; S224-Y227 PolarHBondContact OG-N 3.36Å; S224-Y227 VanDerWaalsContact OG-N 3.15Å; Y227-N230 PolarHBondContact O-N 2.92Å; Y227-I231 HydrophobicContact CD1-CD1 4.07Å; Y227-I231 HydrophobicContact CE1-CD1 3.81Å; Y227-I231 WeakPolarHBondContact O-CG1 3.44Å; Y227-I231 PolarHBondContact O-N 3.41Å |
| 228 | K | 94.8 | Very high | 93.4 | Very high | 53 Ų | 53 | 46.8 Ų | 46.8 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.9 | -38.3 | -178 | -70.4 | -179.5 | 178.2 | -164.9 | 0 | 113.6 | T58 S224 R225 E226 I231 | T58-K228 HydrophobicContact CG2-CG 4.43Å; S224-K228 WeakPolarHBondContact O-CG 3.24Å; S224-K228 PolarHBondContact O-N 3.43Å; R225-K228 PolarHBondContact O-N 2.91Å; E226-K228 PolarHBondContact O-N 3.49Å; K228-I231 PolarHBondContact O-N 2.95Å |
| 229 | D | 95.1 | Very high | 93.9 | Very high | 49 Ų | 49 | 48.2 Ų | 48.2 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -74.8 | -28.8 | 177.2 | -75.7 | -14.9 | 0 | 0 | 0 | 110.9 | R225 I231 K232 K233 | R225-D229 WeakPolarHBondContact CG-OD2 3.41Å; R225-D229 IonicContact CZ-OD2 3.21Å; R225-D229 IonicContact NE-OD2 3.14Å; R225-D229 PolarHBondContact NE-OD2 2.64Å; R225-D229 IonicContact NH2-OD2 3.99Å; R225-D229 VanDerWaalsContact O-CB 3.23Å; R225-D229 WeakPolarHBondContact O-CB 3.35Å; R225-D229 PolarHBondContact O-N 2.96Å; D229-I231 VanDerWaalsContact C-N 3.31Å; D229-I231 PolarHBondContact O-N 2.82Å; D229-K232 WeakPolarHBondContact O-CB 3.4Å; D229-K232 PolarHBondContact O-N 2.95Å; D229-K232 IonicContact OD1-NZ 2.75Å; D229-K232 PolarHBondContact OD1-NZ 3.47Å; D229-K233 PolarHBondContact O-N 2.93Å |
| 230 | N | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64 | -36.4 | 170.5 | -157 | 129.5 | 0 | 0 | 0 | 111.7 | T172 D175 G212 I213 N216 E226 Y227 K232 K233 V234 | T172-N230 HydrophobicContact CG2-CB 4.12Å; T172-N230 WeakPolarHBondContact CG2-OD1 3.21Å; D175-N230 PolarHBondContact OD2-ND2 2.91Å; G212-N230 VanDerWaalsContact C-OD1 3.26Å; G212-N230 PolarHBondContact O-OD1 3.09Å; I213-N230 HydrophobicContact CG1-CB 4.1Å; I213-N230 WeakPolarHBondContact CG1-ND2 3.4Å; N216-N230 PolarHBondContact ND2-OD1 2.8Å; E226-N230 VanDerWaalsContact O-CB 3.3Å; E226-N230 WeakPolarHBondContact O-CB 3.44Å; E226-N230 PolarHBondContact O-N 3.15Å; Y227-N230 PolarHBondContact O-N 2.92Å; N230-K232 VanDerWaalsContact C-N 3.32Å; N230-K232 PolarHBondContact O-N 3.11Å; N230-K233 WeakPolarHBondContact O-CB 3.33Å; N230-K233 PolarHBondContact O-N 2.86Å; N230-V234 WeakPolarHBondContact O-CG2 3.28Å; N230-V234 PolarHBondContact O-N 2.88Å |
| 231 | I | 97.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 174.3 | -64.8 | 169.4 | 0 | 0 | 0 | 110.8 | L54 T58 L59 R69 A70 I213 Y227 K228 D229 K233 V234 D235 | L54-I231 HydrophobicContact CD1-CD1 3.64Å; L54-I231 HydrophobicContact CD1-CG1 3.78Å; T58-I231 HydrophobicContact CG2-CD1 3.56Å; L59-I231 HydrophobicContact CD1-CG2 4.02Å; R69-I231 HydrophobicContact CB-CG2 4.44Å; A70-I231 HydrophobicContact CB-CG2 4.36Å; I213-I231 HydrophobicContact CD1-CG1 3.96Å; I213-I231 HydrophobicContact CG1-CG1 4.33Å; Y227-I231 HydrophobicContact CD1-CD1 4.07Å; Y227-I231 HydrophobicContact CE1-CD1 3.81Å; Y227-I231 WeakPolarHBondContact O-CG1 3.44Å; Y227-I231 PolarHBondContact O-N 3.41Å; K228-I231 PolarHBondContact O-N 2.95Å; D229-I231 VanDerWaalsContact C-N 3.31Å; D229-I231 PolarHBondContact O-N 2.82Å; I231-K233 VanDerWaalsContact C-N 3.33Å; I231-K233 PolarHBondContact O-N 2.91Å; I231-V234 PolarHBondContact O-N 2.9Å; I231-D235 PolarHBondContact O-N 3.29Å |
| 232 | K | 96.9 | Very high | 95.8 | Very high | 85 Ų | 85 | 45 Ų | 45 | 37% | 0.37 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 174.9 | -62.7 | 170.7 | -175.1 | 163 | 0 | 111.3 | R69 D229 N230 V234 D235 D236 | R69-K232 HydrophobicContact CB-CG 4.33Å; R69-K232 WeakPolarHBondContact O-CA 3.45Å; R69-K232 VanDerWaalsContact O-CG 3.23Å; R69-K232 WeakPolarHBondContact O-CG 3.26Å; D229-K232 WeakPolarHBondContact O-CB 3.4Å; D229-K232 PolarHBondContact O-N 2.95Å; D229-K232 IonicContact OD1-NZ 2.75Å; D229-K232 PolarHBondContact OD1-NZ 3.47Å; N230-K232 VanDerWaalsContact C-N 3.32Å; N230-K232 PolarHBondContact O-N 3.11Å; K232-V234 VanDerWaalsContact C-N 3.32Å; K232-V234 PolarHBondContact O-N 3.36Å; K232-D235 PolarHBondContact O-N 3.05Å; K232-D236 PolarHBondContact O-N 3.06Å |
| 233 | K | 97.6 | Very high | 96.2 | Very high | 91 Ų | 91 | 48.5 Ų | 48.5 | 40% | 0.396 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 178.6 | -174.4 | 64.8 | 173.8 | 180 | 0 | 112.1 | T176 D229 N230 I231 G237 | T176-K233 VanDerWaalsContact OG1-CE 3.27Å; T176-K233 WeakPolarHBondContact OG1-CE 3.39Å; D229-K233 PolarHBondContact O-N 2.93Å; N230-K233 WeakPolarHBondContact O-CB 3.33Å; N230-K233 PolarHBondContact O-N 2.86Å; I231-K233 VanDerWaalsContact C-N 3.33Å; I231-K233 PolarHBondContact O-N 2.91Å; K233-G237 PolarHBondContact O-N 3.49Å |
| 234 | V | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -44.2 | 174.9 | 165.2 | 0 | 0 | 0 | 0 | 110.9 | A51 D175 L210 I213 N230 I231 K232 D236 G237 V238 F259 | A51-V234 HydrophobicContact CB-CG1 4.45Å; D175-V234 HydrophobicContact CB-CG2 4.28Å; D175-V234 WeakPolarHBondContact OD2-CG2 3.46Å; L210-V234 HydrophobicContact CD1-CG1 3.78Å; L210-V234 HydrophobicContact CD1-CG2 4.38Å; I213-V234 HydrophobicContact CD1-CB 4.19Å; I213-V234 HydrophobicContact CD1-CG1 4.46Å; I213-V234 HydrophobicContact CD1-CG2 3.82Å; I213-V234 HydrophobicContact CG1-CG2 4.29Å; N230-V234 WeakPolarHBondContact O-CG2 3.28Å; N230-V234 PolarHBondContact O-N 2.88Å; I231-V234 PolarHBondContact O-N 2.9Å; K232-V234 VanDerWaalsContact C-N 3.32Å; K232-V234 PolarHBondContact O-N 3.36Å; V234-D236 PolarHBondContact O-N 3.23Å; V234-G237 PolarHBondContact O-N 3.37Å; V234-V238 HydrophobicContact CG1-CG2 4.19Å; V234-V238 WeakPolarHBondContact O-CB 3.42Å; V234-V238 VanDerWaalsContact O-CG2 3.24Å; V234-V238 WeakPolarHBondContact O-CG2 3.17Å; V234-V238 PolarHBondContact O-N 2.97Å; V234-F259 HydrophobicContact CG1-CE2 3.85Å; V234-F259 HydrophobicContact CG1-CZ 4.17Å |
| 235 | D | 98.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.1 | -47.3 | 176.3 | -174.6 | 79.2 | 0 | 0 | 0 | 112.3 | A70 P71 F72 I73 I231 K232 G237 V238 K239 | A70-D235 VanDerWaalsContact C-OD1 3.26Å; A70-D235 VanDerWaalsContact CA-OD1 3.31Å; A70-D235 WeakPolarHBondContact CA-OD1 3.5Å; A70-D235 HydrophobicContact CB-CB 3.95Å; A70-D235 WeakPolarHBondContact CB-OD1 3.35Å; P71-D235 WeakPolarHBondContact CD-OD2 3.24Å; P71-D235 WeakPolarHBondContact CG-OD2 3.48Å; F72-D235 WeakPolarHBondContact CB-OD1 3.41Å; F72-D235 VanDerWaalsContact CB-OD2 3.29Å; F72-D235 WeakPolarHBondContact CB-OD2 3.45Å; F72-D235 PolarHBondContact N-OD1 3.41Å; F72-D235 PolarHBondContact N-OD2 2.93Å; I73-D235 VanDerWaalsContact CG1-OD1 3.32Å; I73-D235 WeakPolarHBondContact CG1-OD1 3.42Å; I73-D235 PolarHBondContact N-OD1 3.48Å; I231-D235 PolarHBondContact O-N 3.29Å; K232-D235 PolarHBondContact O-N 3.05Å; D235-G237 PolarHBondContact O-N 3.23Å; D235-V238 PolarHBondContact O-N 3.39Å; D235-K239 WeakPolarHBondContact O-CB 3.44Å; D235-K239 PolarHBondContact O-N 3.45Å |
| 236 | D | 98.6 | Very high | 97.4 | Very high | 92 Ų | 92 | 39.1 Ų | 39.1 | 49% | 0.492 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 176.1 | -77 | -28.6 | 0 | 0 | 0 | 112.1 | K232 V234 K239 E240 | K232-D236 PolarHBondContact O-N 3.06Å; V234-D236 PolarHBondContact O-N 3.23Å; D236-K239 WeakPolarHBondContact O-CB 3.34Å; D236-K239 PolarHBondContact O-N 2.82Å; D236-E240 PolarHBondContact O-N 2.97Å |
| 237 | G | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 6% | 0.062 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.9 | -44.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K233 V234 D235 K239 E240 I241 | K233-G237 PolarHBondContact O-N 3.49Å; V234-G237 PolarHBondContact O-N 3.37Å; D235-G237 PolarHBondContact O-N 3.23Å; G237-K239 VanDerWaalsContact C-N 3.33Å; G237-K239 PolarHBondContact O-N 2.82Å; G237-E240 PolarHBondContact O-N 2.81Å; G237-I241 WeakPolarHBondContact O-CG1 3.46Å; G237-I241 PolarHBondContact O-N 2.67Å |
| 238 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 175.3 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | F49 F72 I73 F179 V234 D235 E240 I241 V242 F259 W286 | F49-V238 HydrophobicContact CD1-CG2 3.89Å; F49-V238 HydrophobicContact CD2-CG1 4.27Å; F49-V238 HydrophobicContact CE1-CG1 4.38Å; F49-V238 HydrophobicContact CE1-CG2 4.16Å; F49-V238 HydrophobicContact CE2-CG1 4.06Å; F49-V238 HydrophobicContact CG-CG2 4.18Å; F49-V238 HydrophobicContact CZ-CG1 4.13Å; F72-V238 HydrophobicContact CD1-CG1 4.2Å; F72-V238 HydrophobicContact CE1-CG1 3.84Å; I73-V238 HydrophobicContact CD1-CG1 4.22Å; F179-V238 HydrophobicContact CE1-CG2 4.5Å; F179-V238 HydrophobicContact CZ-CG2 4.43Å; V234-V238 HydrophobicContact CG1-CG2 4.19Å; V234-V238 WeakPolarHBondContact O-CB 3.42Å; V234-V238 VanDerWaalsContact O-CG2 3.24Å; V234-V238 WeakPolarHBondContact O-CG2 3.17Å; V234-V238 PolarHBondContact O-N 2.97Å; D235-V238 PolarHBondContact O-N 3.39Å; V238-E240 VanDerWaalsContact C-N 3.32Å; V238-E240 PolarHBondContact O-N 3.3Å; V238-I241 PolarHBondContact O-N 2.83Å; V238-V242 HydrophobicContact CG1-CG2 4.18Å; V238-V242 WeakPolarHBondContact O-CB 3.34Å; V238-V242 WeakPolarHBondContact O-CG2 3.17Å; V238-V242 PolarHBondContact O-N 2.97Å; V238-F259 HydrophobicContact CG2-CD2 4.06Å; V238-F259 HydrophobicContact CG2-CE2 4.01Å; V238-W286 HydrophobicContact CG1-CH2 4.39Å |
| 239 | K | 98.8 | Very high | 98 | Very high | 117 Ų | 117 | 42.4 Ų | 42.4 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -55.9 | -45.9 | 175 | 179 | -178.6 | 177.2 | -177.3 | 0 | 112.1 | F72 D235 D236 G237 S243 | F72-K239 HydrophobicContact CB-CB 3.97Å; F72-K239 HydrophobicContact CB-CD 4.25Å; F72-K239 HydrophobicContact CB-CG 4.37Å; F72-K239 HydrophobicContact CD1-CB 4.01Å; F72-K239 HydrophobicContact CD2-CB 3.69Å; F72-K239 HydrophobicContact CD2-CD 4.07Å; F72-K239 HydrophobicContact CD2-CG 3.57Å; F72-K239 HydrophobicContact CE1-CB 4.49Å; F72-K239 HydrophobicContact CE2-CB 4.18Å; F72-K239 HydrophobicContact CE2-CG 4.03Å; F72-K239 HydrophobicContact CG-CB 3.6Å; F72-K239 HydrophobicContact CG-CD 4.38Å; F72-K239 HydrophobicContact CG-CG 3.99Å; D235-K239 WeakPolarHBondContact O-CB 3.44Å; D235-K239 PolarHBondContact O-N 3.45Å; D236-K239 WeakPolarHBondContact O-CB 3.34Å; D236-K239 PolarHBondContact O-N 2.82Å; G237-K239 VanDerWaalsContact C-N 3.33Å; G237-K239 PolarHBondContact O-N 2.82Å; K239-S243 PolarHBondContact O-N 3.29Å; K239-S243 VanDerWaalsContact O-N 3.07Å |
| 240 | E | 98.7 | Very high | 98 | Very high | 85 Ų | 85 | 43 Ų | 43 | 40% | 0.397 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.6 | -47.6 | 179 | -170 | -178.6 | -179.1 | 0 | 0 | 111.7 | K183 D236 G237 V238 V242 S243 I244 | K183-E240 WeakPolarHBondContact CE-OE1 3.44Å; K183-E240 VanDerWaalsContact CE-OE2 3.29Å; K183-E240 WeakPolarHBondContact CE-OE2 3.24Å; K183-E240 IonicContact NZ-OE1 2.92Å; K183-E240 PolarHBondContact NZ-OE1 2.9Å; K183-E240 IonicContact NZ-OE2 3.88Å; K183-E240 PolarHBondContact NZ-OE2 3.13Å; D236-E240 PolarHBondContact O-N 2.97Å; G237-E240 PolarHBondContact O-N 2.81Å; V238-E240 VanDerWaalsContact C-N 3.32Å; V238-E240 PolarHBondContact O-N 3.3Å; E240-V242 PolarHBondContact O-N 3.06Å; E240-S243 WeakPolarHBondContact O-CB 3.27Å; E240-S243 PolarHBondContact O-N 2.6Å; E240-S243 VanDerWaalsContact O-N 3.14Å; E240-I244 HydrophobicContact CG-CD1 4.46Å; E240-I244 WeakPolarHBondContact O-CG1 3.11Å; E240-I244 PolarHBondContact O-N 3.31Å |
| 241 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 177.5 | -64.2 | -46.4 | 0 | 0 | 0 | 110.9 | F49 F179 V182 K183 L208 G237 V238 S243 I244 F245 | F49-I241 HydrophobicContact CE1-CB 4.14Å; F49-I241 HydrophobicContact CE1-CG2 3.9Å; F49-I241 HydrophobicContact CZ-CB 4.18Å; F49-I241 HydrophobicContact CZ-CG2 3.8Å; F179-I241 HydrophobicContact CB-CD1 4.27Å; F179-I241 HydrophobicContact CD1-CD1 4.17Å; F179-I241 HydrophobicContact CD1-CG1 3.54Å; F179-I241 HydrophobicContact CE1-CG1 4.16Å; F179-I241 HydrophobicContact CG-CG1 4.38Å; V182-I241 HydrophobicContact CB-CD1 4Å; V182-I241 HydrophobicContact CG1-CD1 3.85Å; V182-I241 HydrophobicContact CG1-CG2 4.16Å; K183-I241 HydrophobicContact CG-CD1 4.46Å; L208-I241 HydrophobicContact CD2-CG1 4.33Å; L208-I241 HydrophobicContact CD2-CG2 4.36Å; G237-I241 WeakPolarHBondContact O-CG1 3.46Å; G237-I241 PolarHBondContact O-N 2.67Å; V238-I241 PolarHBondContact O-N 2.83Å; I241-S243 PolarHBondContact O-N 3.33Å; I241-I244 HydrophobicContact CD1-CD1 4.14Å; I241-I244 WeakPolarHBondContact O-CB 3.35Å; I241-I244 PolarHBondContact O-N 2.91Å; I241-F245 HydrophobicContact CG2-CD2 3.65Å; I241-F245 HydrophobicContact CG2-CE2 3.6Å; I241-F245 WeakPolarHBondContact O-CD2 3.41Å; I241-F245 PolarHBondContact O-N 2.82Å |
| 242 | V | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.8 | -41.5 | 176.3 | 172.1 | 0 | 0 | 0 | 0 | 111 | F49 F72 V238 E240 I244 F245 K246 F257 W286 | F49-V242 HydrophobicContact CE2-CG2 4.35Å; F49-V242 HydrophobicContact CZ-CG2 4.34Å; F72-V242 HydrophobicContact CE1-CG2 4.21Å; F72-V242 HydrophobicContact CZ-CB 4.11Å; F72-V242 HydrophobicContact CZ-CG1 4.13Å; F72-V242 HydrophobicContact CZ-CG2 4.01Å; V238-V242 HydrophobicContact CG1-CG2 4.18Å; V238-V242 WeakPolarHBondContact O-CB 3.34Å; V238-V242 WeakPolarHBondContact O-CG2 3.17Å; V238-V242 PolarHBondContact O-N 2.97Å; E240-V242 PolarHBondContact O-N 3.06Å; V242-I244 VanDerWaalsContact C-N 3.34Å; V242-I244 PolarHBondContact O-N 3.49Å; V242-F245 PolarHBondContact O-N 3.26Å; V242-K246 HydrophobicContact CG1-CD 4.36Å; V242-K246 HydrophobicContact CG1-CG 4.48Å; V242-K246 WeakPolarHBondContact O-CG 3.48Å; V242-K246 PolarHBondContact O-N 2.96Å; V242-F257 HydrophobicContact CB-CE1 4.42Å; V242-F257 HydrophobicContact CG1-CE1 4.35Å; V242-F257 HydrophobicContact CG1-CE2 4.45Å; V242-F257 HydrophobicContact CG1-CZ 4.11Å; V242-F257 HydrophobicContact CG2-CD1 4.02Å; V242-F257 HydrophobicContact CG2-CE1 3.95Å; V242-W286 HydrophobicContact CG2-CZ2 3.75Å |
| 243 | S | 98.5 | Very high | 97.8 | Very high | 75 Ų | 75 | 49 Ų | 49 | 52% | 0.524 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 175.5 | -170.7 | 0 | 0 | 0 | 0 | 112.6 | K239 E240 I241 H247 | K239-S243 PolarHBondContact O-N 3.29Å; K239-S243 VanDerWaalsContact O-N 3.07Å; E240-S243 WeakPolarHBondContact O-CB 3.27Å; E240-S243 PolarHBondContact O-N 2.6Å; E240-S243 VanDerWaalsContact O-N 3.14Å; I241-S243 PolarHBondContact O-N 3.33Å; S243-H247 WeakPolarHBondContact O-CB 3.3Å; S243-H247 PolarHBondContact O-N 2.89Å |
| 244 | I | 98.4 | Very high | 97.9 | Very high | 31 Ų | 31 | 48.8 Ų | 48.8 | 16% | 0.159 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 176.3 | -69.5 | 166.6 | 0 | 0 | 0 | 110.7 | K183 F186 E240 I241 V242 H247 F248 | K183-I244 HydrophobicContact CG-CD1 3.59Å; F186-I244 HydrophobicContact CB-CG2 4Å; F186-I244 HydrophobicContact CD2-CG2 3.99Å; F186-I244 HydrophobicContact CG-CG2 4Å; E240-I244 HydrophobicContact CG-CD1 4.46Å; E240-I244 WeakPolarHBondContact O-CG1 3.11Å; E240-I244 PolarHBondContact O-N 3.31Å; I241-I244 HydrophobicContact CD1-CD1 4.14Å; I241-I244 WeakPolarHBondContact O-CB 3.35Å; I241-I244 PolarHBondContact O-N 2.91Å; V242-I244 VanDerWaalsContact C-N 3.34Å; V242-I244 PolarHBondContact O-N 3.49Å; I244-H247 PolarHBondContact O-N 3.13Å; I244-F248 VanDerWaalsContact O-CB 3.24Å; I244-F248 WeakPolarHBondContact O-CB 2.97Å; I244-F248 PolarHBondContact O-N 3.41Å |
| 245 | F | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -49.9 | 176.8 | -89 | -95.7 | 0 | 0 | 0 | 111.5 | V47 V182 F186 F206 I241 V242 H247 F248 Y249 T255 F257 | V47-F245 HydrophobicContact CG1-CE2 4.27Å; V47-F245 HydrophobicContact CG1-CZ 4.23Å; V47-F245 HydrophobicContact CG2-CD1 3.66Å; V47-F245 HydrophobicContact CG2-CD2 4.4Å; V47-F245 HydrophobicContact CG2-CE1 3.33Å; V47-F245 HydrophobicContact CG2-CE2 4.12Å; V47-F245 HydrophobicContact CG2-CG 4.2Å; V47-F245 HydrophobicContact CG2-CZ 3.58Å; V182-F245 HydrophobicContact CG1-CE2 4.36Å; F186-F245 HydrophobicContact CE2-CD2 4.12Å; F186-F245 HydrophobicContact CE2-CE1 4.09Å; F186-F245 AromaticContact CE2-CE2 3.49Å; F186-F245 HydrophobicContact CE2-CE2 3.49Å; F186-F245 VanDerWaalsContact CE2-CE2 3.49Å; F186-F245 AromaticContact CE2-CZ 3.47Å; F186-F245 HydrophobicContact CE2-CZ 3.47Å; F186-F245 VanDerWaalsContact CE2-CZ 3.47Å; F186-F245 HydrophobicContact CZ-CD1 4.11Å; F186-F245 HydrophobicContact CZ-CD2 4.33Å; F186-F245 AromaticContact CZ-CE1 3.55Å; F186-F245 HydrophobicContact CZ-CE1 3.55Å; F186-F245 AromaticContact CZ-CE2 3.84Å; F186-F245 HydrophobicContact CZ-CE2 3.84Å; F186-F245 HydrophobicContact CZ-CG 4.47Å; F186-F245 AromaticContact CZ-CZ 3.41Å; F186-F245 HydrophobicContact CZ-CZ 3.41Å; F186-F245 VanDerWaalsContact CZ-CZ 3.41Å; F206-F245 HydrophobicContact CB-CE1 4.47Å; F206-F245 HydrophobicContact CB-CZ 3.92Å; F206-F245 HydrophobicContact CD1-CE1 4.44Å; F206-F245 HydrophobicContact CD1-CZ 4.01Å; F206-F245 AromaticContact CD2-CE1 3.43Å; F206-F245 HydrophobicContact CD2-CE1 3.43Å; F206-F245 VanDerWaalsContact CD2-CE1 3.43Å; F206-F245 AromaticContact CD2-CZ 3.69Å; F206-F245 HydrophobicContact CD2-CZ 3.69Å; F206-F245 HydrophobicContact CE1-CZ 4.43Å; F206-F245 AromaticContact CE2-CE1 3.59Å; F206-F245 HydrophobicContact CE2-CE1 3.59Å; F206-F245 HydrophobicContact CE2-CZ 4.12Å; F206-F245 AromaticContact CG-CE1 3.87Å; F206-F245 HydrophobicContact CG-CE1 3.87Å; F206-F245 AromaticContact CG-CZ 3.59Å; F206-F245 HydrophobicContact CG-CZ 3.59Å; F206-F245 HydrophobicContact CZ-CE1 4.18Å; F206-F245 HydrophobicContact CZ-CZ 4.48Å; I241-F245 HydrophobicContact CG2-CD2 3.65Å; I241-F245 HydrophobicContact CG2-CE2 3.6Å; I241-F245 WeakPolarHBondContact O-CD2 3.41Å; I241-F245 PolarHBondContact O-N 2.82Å; V242-F245 PolarHBondContact O-N 3.26Å; F245-H247 VanDerWaalsContact C-N 3.31Å; F245-H247 PolarHBondContact O-N 2.89Å; F245-F248 PolarHBondContact O-N 3.37Å; F245-Y249 HydrophobicContact CD1-CD2 4.13Å; F245-Y249 AromaticContact CD1-CE2 3.7Å; F245-Y249 HydrophobicContact CD1-CE2 3.7Å; F245-Y249 HydrophobicContact CE1-CE2 4.1Å; F245-Y249 VanDerWaalsContact O-CD2 3.31Å; F245-Y249 WeakPolarHBondContact O-CD2 3.34Å; F245-Y249 PolarHBondContact O-N 3.07Å; F245-Y249 VanDerWaalsContact O-N 3.11Å; F245-T255 HydrophobicContact CD1-CG2 4.32Å; F245-F257 HydrophobicContact CB-CE1 4.14Å; F245-F257 HydrophobicContact CB-CZ 4.01Å; F245-F257 HydrophobicContact CG-CE1 4.3Å |
| 246 | K | 97.4 | Very high | 97.9 | Very high | 63 Ų | 63 | 49.1 Ų | 49.1 | 27% | 0.274 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.8 | -44.2 | 177 | -72.5 | -171.8 | 176.6 | -176.6 | 0 | 111 | E80 V242 G250 D251 | E80-K246 IonicContact OE2-NZ 2.99Å; V242-K246 HydrophobicContact CG1-CD 4.36Å; V242-K246 HydrophobicContact CG1-CG 4.48Å; V242-K246 WeakPolarHBondContact O-CG 3.48Å; V242-K246 PolarHBondContact O-N 2.96Å; K246-G250 CarbonylContact O-C 3.25Å; K246-G250 WeakPolarHBondContact O-CA 3.42Å; K246-G250 PolarHBondContact O-N 2.84Å; K246-D251 HydrophobicContact CB-CB 4.34Å; K246-D251 PolarHBondContact O-N 2.88Å |
| 247 | H | 97.7 | Very high | 97.9 | Very high | 139 Ų | 139 | 45.1 Ų | 45.1 | 64% | 0.644 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -69.7 | -45.7 | 179.7 | -173.9 | 76.4 | 0 | 0 | 0 | 113.3 | S243 I244 F245 Y249 G250 | S243-H247 WeakPolarHBondContact O-CB 3.3Å; S243-H247 PolarHBondContact O-N 2.89Å; I244-H247 PolarHBondContact O-N 3.13Å; F245-H247 VanDerWaalsContact C-N 3.31Å; F245-H247 PolarHBondContact O-N 2.89Å; H247-Y249 VanDerWaalsContact C-N 3.33Å; H247-Y249 PolarHBondContact O-N 3.35Å; H247-G250 PolarHBondContact O-N 3.27Å |
| 248 | F | 97.5 | Very high | 97.9 | Very high | 26 Ų | 26 | 44.8 Ų | 44.8 | 11% | 0.114 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.1 | -38.2 | -176.9 | -177.6 | -88.8 | 0 | 0 | 0 | 112.4 | F186 A189 R190 F196 V199 I244 F245 | F186-F248 HydrophobicContact CB-CD2 4.44Å; F186-F248 HydrophobicContact CD1-CB 4.22Å; F186-F248 AromaticContact CD1-CD1 3.82Å; F186-F248 HydrophobicContact CD1-CD1 3.82Å; F186-F248 AromaticContact CD1-CD2 3.64Å; F186-F248 HydrophobicContact CD1-CD2 3.64Å; F186-F248 HydrophobicContact CD1-CE1 4.05Å; F186-F248 AromaticContact CD1-CE2 3.86Å; F186-F248 HydrophobicContact CD1-CE2 3.86Å; F186-F248 AromaticContact CD1-CG 3.62Å; F186-F248 HydrophobicContact CD1-CG 3.62Å; F186-F248 HydrophobicContact CD1-CZ 4.06Å; F186-F248 AromaticContact CE1-CD1 3.79Å; F186-F248 HydrophobicContact CE1-CD1 3.79Å; F186-F248 HydrophobicContact CE1-CD2 4.44Å; F186-F248 HydrophobicContact CE1-CE1 4.02Å; F186-F248 HydrophobicContact CE1-CG 4.01Å; F186-F248 HydrophobicContact CE1-CZ 4.44Å; F186-F248 HydrophobicContact CG-CD2 4.48Å; A189-F248 HydrophobicContact CB-CE2 4.06Å; A189-F248 HydrophobicContact CB-CZ 3.97Å; R190-F248 HydrophobicContact CG-CD2 4.05Å; R190-F248 HydrophobicContact CG-CE2 3.75Å; F196-F248 HydrophobicContact CD2-CE1 4.48Å; F196-F248 HydrophobicContact CD2-CE2 4.28Å; F196-F248 AromaticContact CD2-CZ 3.67Å; F196-F248 HydrophobicContact CD2-CZ 3.67Å; F196-F248 HydrophobicContact CE2-CE1 4.22Å; F196-F248 HydrophobicContact CE2-CE2 4.24Å; F196-F248 AromaticContact CE2-CZ 3.7Å; F196-F248 HydrophobicContact CE2-CZ 3.7Å; V199-F248 HydrophobicContact CG2-CE1 3.79Å; V199-F248 HydrophobicContact CG2-CZ 3.85Å; I244-F248 VanDerWaalsContact O-CB 3.24Å; I244-F248 WeakPolarHBondContact O-CB 2.97Å; I244-F248 PolarHBondContact O-N 3.41Å; F245-F248 PolarHBondContact O-N 3.37Å |
| 249 | Y | 97.2 | Very high | 97.9 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 3 | 178.7 | -62.4 | -65.8 | 0 | 0 | 0 | 113.9 | R45 F186 V199 N200 F245 H247 D251 | R45-Y249 VanDerWaalsContact CD-CE2 3.45Å; R45-Y249 VanDerWaalsContact NH1-CD1 3.3Å; F186-Y249 HydrophobicContact CE1-CE2 4.05Å; F186-Y249 HydrophobicContact CZ-CE2 4.38Å; V199-Y249 WeakPolarHBondContact O-CE1 3.24Å; V199-Y249 PolarHBondContact O-OH 3.33Å; N200-Y249 WeakPolarHBondContact OD1-CD1 3.33Å; N200-Y249 VanDerWaalsContact OD1-CE1 3.3Å; N200-Y249 WeakPolarHBondContact OD1-CE1 3.2Å; F245-Y249 HydrophobicContact CD1-CD2 4.13Å; F245-Y249 AromaticContact CD1-CE2 3.7Å; F245-Y249 HydrophobicContact CD1-CE2 3.7Å; F245-Y249 HydrophobicContact CE1-CE2 4.1Å; F245-Y249 VanDerWaalsContact O-CD2 3.31Å; F245-Y249 WeakPolarHBondContact O-CD2 3.34Å; F245-Y249 PolarHBondContact O-N 3.07Å; F245-Y249 VanDerWaalsContact O-N 3.11Å; H247-Y249 VanDerWaalsContact C-N 3.33Å; H247-Y249 PolarHBondContact O-N 3.35Å; Y249-D251 VanDerWaalsContact C-N 3.28Å; Y249-D251 PolarHBondContact O-N 2.96Å |
| 250 | G | 96.7 | Very high | 97.9 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 64% | 0.639 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 29.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K246 H247 D252 | K246-G250 CarbonylContact O-C 3.25Å; K246-G250 WeakPolarHBondContact O-CA 3.42Å; K246-G250 PolarHBondContact O-N 2.84Å; H247-G250 PolarHBondContact O-N 3.27Å; G250-D252 PolarHBondContact O-N 3.25Å |
| 251 | D | 94.3 | Very high | 97.9 | Very high | 102 Ų | 102 | 35.3 Ų | 35.3 | 55% | 0.545 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 45.6 | -178.3 | -156.3 | 23.4 | 0 | 0 | 0 | 112.7 | K246 Y249 G253 | K246-D251 HydrophobicContact CB-CB 4.34Å; K246-D251 PolarHBondContact O-N 2.88Å; Y249-D251 VanDerWaalsContact C-N 3.28Å; Y249-D251 PolarHBondContact O-N 2.96Å; D251-G253 PolarHBondContact O-N 3.01Å |
| 252 | D | 96.9 | Very high | 97.8 | Very high | 66 Ų | 66 | 35.3 Ų | 35.3 | 35% | 0.353 | 21% | 0.206 | S | C | . | . | trans | -60.6 | -1.2 | -176.6 | 67.7 | 0 | 0 | 0 | 0 | 115.4 | R45 G250 K254 | R45-D252 IonicContact CZ-OD2 2.69Å; R45-D252 IonicContact NH2-OD2 3.37Å; R45-D252 PolarHBondContact NH2-OD2 3.48Å; G250-D252 PolarHBondContact O-N 3.25Å; D252-K254 HydrophobicContact CB-CG 4.46Å; D252-K254 PolarHBondContact O-N 3.44Å; D252-K254 WeakPolarHBondContact OD1-CA 3.25Å; D252-K254 WeakPolarHBondContact OD1-CB 3.41Å; D252-K254 PolarHBondContact OD1-N 3.47Å | ||
| 253 | G | 96.2 | Very high | 97.7 | Very high | 47 Ų | 47 | 35.1 Ų | 35.1 | 49% | 0.485 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 65.3 | 21.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D251 A288 | D251-G253 PolarHBondContact O-N 3.01Å; G253-A288 VanDerWaalsContact O-CB 3.22Å; G253-A288 WeakPolarHBondContact O-CB 3.17Å |
| 254 | K | 98 | Very high | 97.6 | Very high | 85 Ų | 85 | 31.6 Ų | 31.6 | 37% | 0.37 | 18% | 0.18 | S | C | . | . | trans | -113.2 | 12.6 | -178.8 | -60 | -61.1 | -177 | 179 | 0 | 114.4 | K44 R45 D252 | K44-K254 HydrophobicContact CB-CB 4.08Å; K44-K254 HydrophobicContact CD-CB 4.32Å; K44-K254 HydrophobicContact CD-CG 4.34Å; K44-K254 HydrophobicContact CG-CB 3.99Å; K44-K254 HydrophobicContact CG-CD 4.44Å; K44-K254 HydrophobicContact CG-CG 4.27Å; K44-K254 PolarHBondContact N-O 2.9Å; R45-K254 PolarHBondContact N-O 3.41Å; D252-K254 HydrophobicContact CB-CG 4.46Å; D252-K254 PolarHBondContact O-N 3.44Å; D252-K254 WeakPolarHBondContact OD1-CA 3.25Å; D252-K254 WeakPolarHBondContact OD1-CB 3.41Å; D252-K254 PolarHBondContact OD1-N 3.47Å | ||
| 255 | T | 98.6 | Very high | 97.3 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 8% | 0.08 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 126.3 | 175.6 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | R45 V47 F245 F257 A288 | R45-T255 VanDerWaalsContact CD-OG1 3.23Å; R45-T255 WeakPolarHBondContact CD-OG1 3.3Å; R45-T255 HydrophobicContact CG-CG2 3.87Å; R45-T255 VanDerWaalsContact CG-OG1 3.29Å; R45-T255 WeakPolarHBondContact CG-OG1 3.35Å; R45-T255 PolarHBondContact NE-OG1 3.04Å; R45-T255 WeakPolarHBondContact O-CA 3.32Å; V47-T255 HydrophobicContact CG2-CG2 3.87Å; F245-T255 HydrophobicContact CD1-CG2 4.32Å; T255-F257 HydrophobicContact CG2-CD1 4.35Å; T255-F257 HydrophobicContact CG2-CD2 4.18Å; T255-F257 HydrophobicContact CG2-CE1 3.79Å; T255-F257 HydrophobicContact CG2-CE2 3.6Å; T255-F257 HydrophobicContact CG2-CZ 3.38Å; T255-A288 WeakPolarHBondContact O-CB 3.44Å; T255-A288 PolarHBondContact O-N 3.44Å |
| 256 | A | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 141 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | A43 R45 L46 V47 L331 | A43-A256 HydrophobicContact CB-CB 3.96Å; R45-A256 PolarHBondContact O-N 3.42Å; L46-A256 CarbonylContact C-O 3.58Å; L46-A256 WeakPolarHBondContact CA-O 3.43Å; L46-A256 HydrophobicContact CD1-CB 3.92Å; V47-A256 PolarHBondContact N-O 3.47Å; A256-L331 HydrophobicContact CB-CD1 4.16Å |
| 257 | F | 98.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 139.6 | -180 | -60.2 | -88 | 0 | 0 | 0 | 110.3 | V47 F49 V242 F245 T255 T285 W286 | V47-F257 HydrophobicContact CB-CD1 3.66Å; V47-F257 HydrophobicContact CB-CE1 4.04Å; V47-F257 HydrophobicContact CG1-CD1 4.25Å; V47-F257 HydrophobicContact CG2-CD1 3.92Å; V47-F257 HydrophobicContact CG2-CE1 3.78Å; V47-F257 WeakPolarHBondContact O-CA 3.33Å; F49-F257 HydrophobicContact CE2-CD1 4.07Å; V242-F257 HydrophobicContact CB-CE1 4.42Å; V242-F257 HydrophobicContact CG1-CE1 4.35Å; V242-F257 HydrophobicContact CG1-CE2 4.45Å; V242-F257 HydrophobicContact CG1-CZ 4.11Å; V242-F257 HydrophobicContact CG2-CD1 4.02Å; V242-F257 HydrophobicContact CG2-CE1 3.95Å; F245-F257 HydrophobicContact CB-CE1 4.14Å; F245-F257 HydrophobicContact CB-CZ 4.01Å; F245-F257 HydrophobicContact CG-CE1 4.3Å; T255-F257 HydrophobicContact CG2-CD1 4.35Å; T255-F257 HydrophobicContact CG2-CD2 4.18Å; T255-F257 HydrophobicContact CG2-CE1 3.79Å; T255-F257 HydrophobicContact CG2-CE2 3.6Å; T255-F257 HydrophobicContact CG2-CZ 3.38Å; F257-T285 VanDerWaalsContact O-CA 3.26Å; F257-T285 WeakPolarHBondContact O-CA 3.46Å; F257-T285 WeakPolarHBondContact O-CB 3.35Å; F257-T285 PolarHBondContact O-OG1 2.92Å; F257-W286 HydrophobicContact CB-CD2 3.6Å; F257-W286 HydrophobicContact CB-CE3 3.99Å; F257-W286 HydrophobicContact CB-CG 4.2Å; F257-W286 HydrophobicContact CB-CH2 3.81Å; F257-W286 HydrophobicContact CB-CZ2 3.39Å; F257-W286 HydrophobicContact CB-CZ3 4.09Å; F257-W286 HydrophobicContact CD1-CZ2 4.23Å; F257-W286 AromaticContact CD2-CD1 3.79Å; F257-W286 AromaticContact CD2-CE2 3.93Å; F257-W286 HydrophobicContact CD2-CG 4.48Å; F257-W286 HydrophobicContact CD2-CZ2 4.48Å; F257-W286 AromaticContact CD2-NE1 3.37Å; F257-W286 HydrophobicContact CG-CD2 4.38Å; F257-W286 AromaticContact CG-CE2 3.67Å; F257-W286 AromaticContact CG-CZ2 3.82Å; F257-W286 HydrophobicContact CG-CZ2 3.82Å; F257-W286 AromaticContact CG-NE1 3.61Å; F257-W286 PolarHBondContact N-O 3.19Å; F257-W286 PolarHBondContact O-N 2.99Å |
| 258 | I | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 129.4 | 174 | -63 | -179.8 | 0 | 0 | 0 | 108.3 | L46 V47 L48 F49 T260 F283 I324 M328 | L46-I258 HydrophobicContact CD1-CD1 3.99Å; L46-I258 HydrophobicContact CD1-CG1 4.15Å; V47-I258 PolarHBondContact O-N 3.07Å; L48-I258 HydrophobicContact CD1-CB 3.97Å; L48-I258 HydrophobicContact CD1-CG2 3.73Å; F49-I258 PolarHBondContact N-O 3.13Å; I258-T260 HydrophobicContact CG2-CG2 4.45Å; I258-F283 HydrophobicContact CG2-CD2 4.33Å; I258-F283 HydrophobicContact CG2-CE2 3.63Å; I258-F283 HydrophobicContact CG2-CZ 4.45Å; I258-I324 HydrophobicContact CD1-CG2 4.42Å; I258-M328 HydrophobicContact CD1-CG 3.38Å; I258-M328 HydrophobicContact CD1-SD 4.05Å |
| 259 | F | 98.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122.4 | 172 | -179.8 | -90 | 0 | 0 | 0 | 109 | F49 A51 L54 L59 I73 V234 V238 V284 W286 | F49-F259 HydrophobicContact CB-CD2 3.74Å; F49-F259 HydrophobicContact CB-CE2 4.48Å; F49-F259 HydrophobicContact CG-CD2 4.47Å; F49-F259 WeakPolarHBondContact O-CA 3.39Å; A51-F259 HydrophobicContact CB-CE2 4.16Å; A51-F259 HydrophobicContact CB-CZ 3.91Å; L54-F259 HydrophobicContact CD2-CE1 3.76Å; L54-F259 HydrophobicContact CD2-CZ 3.73Å; L59-F259 HydrophobicContact CD1-CE1 4.28Å; L59-F259 HydrophobicContact CD2-CD1 4.39Å; L59-F259 HydrophobicContact CD2-CE1 3.81Å; I73-F259 HydrophobicContact CD1-CB 4.1Å; I73-F259 HydrophobicContact CD1-CD1 4.09Å; I73-F259 HydrophobicContact CD1-CD2 4.11Å; I73-F259 HydrophobicContact CD1-CG 3.82Å; I73-F259 HydrophobicContact CG1-CD1 4.37Å; I73-F259 HydrophobicContact CG1-CE1 4.45Å; V234-F259 HydrophobicContact CG1-CE2 3.85Å; V234-F259 HydrophobicContact CG1-CZ 4.17Å; V238-F259 HydrophobicContact CG2-CD2 4.06Å; V238-F259 HydrophobicContact CG2-CE2 4.01Å; F259-V284 PolarHBondContact N-O 3.46Å; F259-V284 PolarHBondContact O-N 3.28Å; F259-W286 HydrophobicContact CB-CH2 4.1Å; F259-W286 HydrophobicContact CB-CZ3 3.85Å |
| 260 | T | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | -179 | -176.7 | -167.2 | 0 | 0 | 0 | 0 | 111.7 | L48 F49 V50 A51 L101 I258 P282 | L48-T260 HydrophobicContact CD1-CG2 4.27Å; F49-T260 PolarHBondContact O-N 3.32Å; V50-T260 WeakPolarHBondContact CA-O 3.37Å; V50-T260 HydrophobicContact CG2-CG2 3.99Å; A51-T260 PolarHBondContact N-O 2.75Å; L101-T260 HydrophobicContact CD1-CG2 4.02Å; L101-T260 HydrophobicContact CD2-CG2 3.86Å; I258-T260 HydrophobicContact CG2-CG2 4.45Å; T260-P282 VanDerWaalsContact CA-O 3.25Å; T260-P282 WeakPolarHBondContact CA-O 3.47Å; T260-P282 PolarHBondContact OG1-O 3.39Å; T260-P282 VanDerWaalsContact OG1-O 3.08Å |
| 261 | S | 98.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -129.4 | 155.6 | 166.5 | -168.6 | 0 | 0 | 0 | 0 | 111.5 | A51 L54 H263 T281 Q321 | A51-S261 WeakPolarHBondContact O-CB 3.31Å; A51-S261 PolarHBondContact O-OG 3.2Å; L54-S261 PolarHBondContact N-OG 3.12Å; L54-S261 VanDerWaalsContact N-OG 3.07Å; L54-S261 WeakPolarHBondContact O-CB 3.36Å; L54-S261 PolarHBondContact O-OG 3.15Å; S261-H263 PolarHBondContact OG-O 3.13Å; S261-T281 WeakPolarHBondContact O-CB 3.31Å; S261-T281 PolarHBondContact O-OG1 3.33Å; S261-Q321 PolarHBondContact O-NE2 3.34Å | ||
| 262 | D | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -80.9 | -40.1 | 176.8 | 60.5 | -25.7 | 0 | 0 | 0 | 112.3 | V50 D52 G53 T88 S94 H98 L101 Q321 | V50-D262 HydrophobicContact CG1-CB 4.19Å; D52-D262 VanDerWaalsContact CA-OD1 3.32Å; D52-D262 WeakPolarHBondContact CA-OD1 3.33Å; G53-D262 PolarHBondContact N-OD1 2.98Å; T88-D262 PolarHBondContact OG1-O 2.94Å; S94-D262 WeakPolarHBondContact CA-OD2 3.16Å; S94-D262 VanDerWaalsContact CB-OD2 3.28Å; S94-D262 WeakPolarHBondContact CB-OD2 3.33Å; H98-D262 IonicContact CE1-OD2 3.92Å; H98-D262 PolarHBondContact CE1-OD2 3.28Å; H98-D262 IonicContact ND1-OD2 3.26Å; H98-D262 PolarHBondContact ND1-OD2 2.88Å; L101-D262 HydrophobicContact CD1-CB 4.22Å; D262-Q321 PolarHBondContact O-NE2 3.28Å |
| 263 | H | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -152.4 | 166.8 | 168.4 | 58.7 | 79.4 | 0 | 0 | 0 | 111.9 | D52 G53 L54 T88 E93 S94 D214 S261 H271 T281 | D52-H263 IonicContact OD1-CE1 3.51Å; D52-H263 IonicContact OD1-NE2 2.67Å; D52-H263 PolarHBondContact OD1-NE2 3.34Å; G53-H263 CarbonylContact C-O 3.48Å; G53-H263 VanDerWaalsContact C-O 3.25Å; G53-H263 WeakPolarHBondContact CA-O 3.38Å; G53-H263 PolarHBondContact N-O 2.85Å; L54-H263 PolarHBondContact N-O 3.21Å; T88-H263 HydrophobicContact CG2-CB 4.39Å; E93-H263 VanDerWaalsContact C-CD2 3.5Å; S94-H263 PolarHBondContact N-CD2 2.96Å; S94-H263 PolarHBondContact N-NE2 3.24Å; S94-H263 PolarHBondContact OG-NE2 3.39Å; S94-H263 VanDerWaalsContact OG-NE2 3.07Å; D214-H263 IonicContact OD1-CE1 3.55Å; D214-H263 PolarHBondContact OD1-CE1 3.24Å; S261-H263 PolarHBondContact OG-O 3.13Å; H263-H271 AromaticContact CE1-CD2 3.57Å; H263-H271 AromaticContact CE1-CE1 3.52Å; H263-H271 AromaticContact CE1-CG 3.47Å; H263-H271 VanDerWaalsContact CE1-CG 3.47Å; H263-H271 AromaticContact CE1-ND1 3.44Å; H263-H271 PolarHBondContact CE1-ND1 2.75Å; H263-H271 AromaticContact CE1-NE2 3.64Å; H263-H271 AromaticContact ND1-CG 3.67Å; H263-H271 AromaticContact ND1-ND1 3.84Å; H263-H271 AromaticContact NE2-CE1 3.51Å; H263-H271 AromaticContact NE2-ND1 3.57Å; H263-T281 VanDerWaalsContact C-CG2 3.41Å; H263-T281 VanDerWaalsContact CA-CG2 3.47Å | ||
| 264 | G | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -93 | -152.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112 | S277 E278 | G264-S277 CarbonylContact C-O 3.55Å; G264-S277 VanDerWaalsContact CA-O 3.23Å; G264-S277 WeakPolarHBondContact CA-O 3.48Å; G264-E278 PolarHBondContact N-O 3.16Å | ||
| 265 | M | 92.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -153.8 | 143.9 | -175.9 | -172.1 | 72.5 | 70.9 | 0 | 0 | 110.2 | R55 D214 P222 S270 H271 S277 | R55-M265 WeakPolarHBondContact CD-O 3.14Å; D214-M265 WeakPolarHBondContact OD1-CE 3.47Å; P222-M265 HydrophobicContact CG-CB 3.91Å; P222-M265 HydrophobicContact CG-CG 3.76Å; M265-S270 WeakPolarHBondContact SD-CA 3.13Å; M265-S270 PolarHBondContact SD-N 3.34Å; M265-H271 VanDerWaalsContact CE-CD2 3.42Å; M265-H271 WeakPolarHBondContact CE-CD2 3.41Å; M265-H271 HydrophobicContact SD-CB 3.99Å; M265-H271 VanDerWaalsContact SD-CD2 3.57Å; M265-S277 PolarHBondContact N-O 2.95Å; M265-S277 WeakPolarHBondContact O-CB 3.41Å; M265-S277 PolarHBondContact O-OG 3.12Å; M265-S277 VanDerWaalsContact O-OG 3.08Å | ||
| 266 | T | 90 | Very high | 91.6 | Very high | 24 Ų | 24 | 25 Ų | 25 | 15% | 0.147 | 16% | 0.158 | C | C | . | . | trans | -68 | 161 | 168.6 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | P222 W268 G269 S270 H275 E278 | P222-T266 WeakPolarHBondContact CD-O 3.34Å; P222-T266 VanDerWaalsContact CG-O 3.3Å; P222-T266 WeakPolarHBondContact CG-O 3.42Å; T266-W268 PolarHBondContact O-N 3.42Å; T266-G269 PolarHBondContact O-N 3.4Å; T266-S270 WeakPolarHBondContact CB-O 3.34Å; T266-S270 WeakPolarHBondContact CG2-O 3.3Å; T266-S270 PolarHBondContact N-O 3.23Å; T266-S270 PolarHBondContact OG1-N 3.42Å; T266-S270 PolarHBondContact OG1-O 3.03Å; T266-H275 HydrophobicContact CG2-CB 4.47Å; T266-E278 HydrophobicContact CG2-CG 3.69Å; T266-E278 WeakPolarHBondContact CG2-OE1 3.26Å | ||
| 267 | D | 86.6 | Confident | 91.2 | Very high | 73 Ų | 73 | 25.4 Ų | 25.4 | 39% | 0.39 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -15.3 | 174.2 | -66.7 | -20 | 0 | 0 | 0 | 113.6 | R55 | R55-D267 IonicContact CZ-OD1 3.4Å; R55-D267 IonicContact NH1-OD1 3.66Å; R55-D267 PolarHBondContact NH1-OD1 3.48Å; R55-D267 IonicContact NH2-OD1 3.48Å |
| 268 | W | 77.7 | Confident | 90.9 | Very high | 75 Ų | 75 | 25.4 Ų | 25.4 | 28% | 0.284 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -11.8 | 176.6 | -174.1 | -107.6 | 0 | 0 | 0 | 114 | T266 G612 P615 T726 | T266-W268 PolarHBondContact O-N 3.42Å; W268-G612 VanDerWaalsContact CB-O 3.27Å; W268-G612 WeakPolarHBondContact CB-O 3.3Å; W268-P615 HydrophobicContact CE3-CG 4.46Å; W268-P615 HydrophobicContact CH2-CB 3.78Å; W268-P615 HydrophobicContact CH2-CG 4.2Å; W268-P615 HydrophobicContact CZ3-CB 3.49Å; W268-P615 VanDerWaalsContact CZ3-CB 3.49Å; W268-P615 VanDerWaalsContact CZ3-CD 3.45Å; W268-P615 HydrophobicContact CZ3-CG 3.5Å; W268-P615 VanDerWaalsContact CZ3-CG 3.5Å; W268-T726 HydrophobicContact CH2-CG2 4.26Å; W268-T726 HydrophobicContact CZ2-CG2 4Å |
| 269 | G | 83.3 | Confident | 90.8 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 7% | 0.072 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 75.3 | 39.3 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G217 H218 T266 | G217-G269 WeakPolarHBondContact O-CA 3.46Å; H218-G269 PolarHBondContact ND1-O 3.37Å; H218-G269 VanDerWaalsContact ND1-O 3.08Å; T266-G269 PolarHBondContact O-N 3.4Å |
| 270 | S | 85.1 | Confident | 90.7 | Very high | 55 Ų | 55 | 27.8 Ų | 27.8 | 39% | 0.385 | 17% | 0.174 | S | C | . | . | trans | -132 | 149 | 170.5 | 172.7 | 0 | 0 | 0 | 0 | 109.9 | M265 T266 | M265-S270 WeakPolarHBondContact SD-CA 3.13Å; M265-S270 PolarHBondContact SD-N 3.34Å; T266-S270 WeakPolarHBondContact CB-O 3.34Å; T266-S270 WeakPolarHBondContact CG2-O 3.3Å; T266-S270 PolarHBondContact N-O 3.23Å; T266-S270 PolarHBondContact OG1-N 3.42Å; T266-S270 PolarHBondContact OG1-O 3.03Å | ||
| 271 | H | 89.4 | Confident | 90.6 | Very high | 23 Ų | 23 | 27.8 Ų | 27.8 | 11% | 0.106 | 17% | 0.174 | C | C | . | . | trans | -135.4 | 172.5 | 172.6 | 61 | 91 | 0 | 0 | 0 | 109.8 | T92 E93 D214 H218 H263 M265 E278 | T92-H271 PolarHBondContact O-ND1 3.5Å; E93-H271 IonicContact OE2-CE1 3.5Å; E93-H271 PolarHBondContact OE2-CE1 3.48Å; E93-H271 VanDerWaalsContact OE2-CE1 3.26Å; E93-H271 IonicContact OE2-ND1 3.53Å; D214-H271 IonicContact OD1-CD2 3.49Å; D214-H271 IonicContact OD1-NE2 3.75Å; H218-H271 AromaticContact CE1-CD2 3.22Å; H218-H271 PolarHBondContact CE1-CD2 2.96Å; H218-H271 AromaticContact CE1-NE2 3.12Å; H218-H271 PolarHBondContact CE1-NE2 3.3Å; H218-H271 AromaticContact NE2-CD2 3.32Å; H218-H271 PolarHBondContact NE2-CD2 2.67Å; H218-H271 VanDerWaalsContact NE2-CD2 3.32Å; H218-H271 AromaticContact NE2-NE2 2.95Å; H218-H271 PolarHBondContact NE2-NE2 2.96Å; H263-H271 AromaticContact CE1-CD2 3.57Å; H263-H271 AromaticContact CE1-CE1 3.52Å; H263-H271 AromaticContact CE1-CG 3.47Å; H263-H271 VanDerWaalsContact CE1-CG 3.47Å; H263-H271 AromaticContact CE1-ND1 3.44Å; H263-H271 PolarHBondContact CE1-ND1 2.75Å; H263-H271 AromaticContact CE1-NE2 3.64Å; H263-H271 AromaticContact ND1-CG 3.67Å; H263-H271 AromaticContact ND1-ND1 3.84Å; H263-H271 AromaticContact NE2-CE1 3.51Å; H263-H271 AromaticContact NE2-ND1 3.57Å; M265-H271 VanDerWaalsContact CE-CD2 3.42Å; M265-H271 WeakPolarHBondContact CE-CD2 3.41Å; M265-H271 HydrophobicContact SD-CB 3.99Å; M265-H271 VanDerWaalsContact SD-CD2 3.57Å; H271-E278 VanDerWaalsContact C-OE2 3.28Å; H271-E278 WeakPolarHBondContact CA-OE2 3.26Å; H271-E278 HydrophobicContact CB-CG 4.44Å | ||
| 272 | G | 85.6 | Confident | 90.6 | Very high | 19 Ų | 19 | 27.8 Ų | 27.8 | 20% | 0.196 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 128.4 | -7.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | T92 E278 | T92-G272 PolarHBondContact O-N 2.96Å; T92-G272 VanDerWaalsContact OG1-CA 3.24Å; T92-G272 WeakPolarHBondContact OG1-CA 3.47Å; T92-G272 PolarHBondContact OG1-N 3.08Å; G272-E278 PolarHBondContact N-OE2 2.89Å |
| 273 | A | 84.8 | Confident | 90.7 | Very high | 51 Ų | 51 | 27.8 Ų | 27.8 | 42% | 0.421 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -115 | -173.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | T92 E278 | T92-A273 VanDerWaalsContact CG2-O 3.29Å; T92-A273 WeakPolarHBondContact CG2-O 3.26Å; T92-A273 PolarHBondContact OG1-N 3.41Å; T92-A273 PolarHBondContact OG1-O 3.1Å; A273-E278 WeakPolarHBondContact CA-OE2 3.25Å; A273-E278 PolarHBondContact N-OE2 2.75Å |
| 274 | G | 87 | Confident | 90.8 | Very high | 49 Ų | 49 | 27.8 Ų | 27.8 | 51% | 0.505 | 17% | 0.174 | S | C | . | . | trans | -98.2 | 22.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 275 | H | 88.8 | Confident | 90.9 | Very high | 75 Ų | 75 | 27.8 Ų | 27.8 | 35% | 0.347 | 17% | 0.174 | S | C | . | . | trans | -71.1 | 143.8 | 178.7 | -166.1 | -99.9 | 0 | 0 | 0 | 110.6 | T266 S277 E278 T279 | T266-H275 HydrophobicContact CG2-CB 4.47Å; H275-S277 WeakPolarHBondContact ND1-CB 3.13Å; H275-S277 PolarHBondContact ND1-N 3.01Å; H275-S277 PolarHBondContact ND1-OG 3.18Å; H275-S277 PolarHBondContact O-N 2.97Å; H275-S277 VanDerWaalsContact O-N 3.11Å; H275-E278 HydrophobicContact CB-CG 4.19Å; H275-E278 WeakPolarHBondContact CB-OE1 3.44Å; H275-E278 PolarHBondContact N-OE1 2.84Å; H275-E278 VanDerWaalsContact N-OE1 3.16Å; H275-E278 WeakPolarHBondContact O-CA 3.39Å; H275-E278 WeakPolarHBondContact O-CB 3.49Å; H275-E278 PolarHBondContact O-N 2.93Å; H275-T279 PolarHBondContact O-N 3.4Å; H275-T279 PolarHBondContact O-OG1 2.94Å | ||
| 276 | P | 91 | Very high | 91.2 | Very high | 66 Ų | 66 | 27.9 Ų | 27.9 | 43% | 0.429 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -54.2 | -33.9 | 177.6 | -30.5 | 37.1 | 0 | 0 | 0 | 114.5 | E278 T279 L280 | P276-E278 PolarHBondContact O-N 3.4Å; P276-T279 WeakPolarHBondContact CA-OG1 3.42Å; P276-T279 PolarHBondContact O-N 2.91Å; P276-L280 HydrophobicContact CB-CD1 3.93Å; P276-L280 HydrophobicContact CB-CG 4.26Å; P276-L280 VanDerWaalsContact O-CB 3.23Å; P276-L280 WeakPolarHBondContact O-CB 3.29Å; P276-L280 WeakPolarHBondContact O-CG 3.43Å; P276-L280 PolarHBondContact O-N 2.83Å |
| 277 | S | 91.1 | Very high | 91.6 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.7 | -18.4 | 175.2 | 69.7 | 0 | 0 | 0 | 0 | 113.5 | R55 G264 M265 H275 | R55-S277 WeakPolarHBondContact CG-O 3.36Å; G264-S277 CarbonylContact C-O 3.55Å; G264-S277 VanDerWaalsContact CA-O 3.23Å; G264-S277 WeakPolarHBondContact CA-O 3.48Å; M265-S277 PolarHBondContact N-O 2.95Å; M265-S277 WeakPolarHBondContact O-CB 3.41Å; M265-S277 PolarHBondContact O-OG 3.12Å; M265-S277 VanDerWaalsContact O-OG 3.08Å; H275-S277 WeakPolarHBondContact ND1-CB 3.13Å; H275-S277 PolarHBondContact ND1-N 3.01Å; H275-S277 PolarHBondContact ND1-OG 3.18Å; H275-S277 PolarHBondContact O-N 2.97Å; H275-S277 VanDerWaalsContact O-N 3.11Å |
| 278 | E | 93.3 | Very high | 92.2 | Very high | 6 Ų | 6 | 25.4 Ų | 25.4 | 3% | 0.028 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -93.2 | -36.1 | 172.7 | -58.4 | 169.1 | -96.9 | 0 | 0 | 110.9 | T88 T92 G264 T266 H271 G272 A273 H275 P276 | T88-E278 WeakPolarHBondContact CG2-O 3.36Å; T92-E278 HydrophobicContact CG2-CB 4.17Å; T92-E278 PolarHBondContact OG1-OE2 3.08Å; G264-E278 PolarHBondContact N-O 3.16Å; T266-E278 HydrophobicContact CG2-CG 3.69Å; T266-E278 WeakPolarHBondContact CG2-OE1 3.26Å; H271-E278 VanDerWaalsContact C-OE2 3.28Å; H271-E278 WeakPolarHBondContact CA-OE2 3.26Å; H271-E278 HydrophobicContact CB-CG 4.44Å; G272-E278 PolarHBondContact N-OE2 2.89Å; A273-E278 WeakPolarHBondContact CA-OE2 3.25Å; A273-E278 PolarHBondContact N-OE2 2.75Å; H275-E278 HydrophobicContact CB-CG 4.19Å; H275-E278 WeakPolarHBondContact CB-OE1 3.44Å; H275-E278 PolarHBondContact N-OE1 2.84Å; H275-E278 VanDerWaalsContact N-OE1 3.16Å; H275-E278 WeakPolarHBondContact O-CA 3.39Å; H275-E278 WeakPolarHBondContact O-CB 3.49Å; H275-E278 PolarHBondContact O-N 2.93Å; P276-E278 PolarHBondContact O-N 3.4Å |
| 279 | T | 95.4 | Very high | 93.1 | Very high | 24 Ų | 24 | 22.4 Ų | 22.4 | 15% | 0.147 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -92.7 | -17.9 | -170.2 | 62.6 | 0 | 0 | 0 | 0 | 115.3 | T88 T92 H275 P276 | T88-T279 VanDerWaalsContact CG2-CA 3.47Å; T88-T279 WeakPolarHBondContact CG2-O 3.32Å; T88-T279 PolarHBondContact N-O 2.89Å; T92-T279 HydrophobicContact CG2-CG2 3.82Å; H275-T279 PolarHBondContact O-N 3.4Å; H275-T279 PolarHBondContact O-OG1 2.94Å; P276-T279 WeakPolarHBondContact CA-OG1 3.42Å; P276-T279 PolarHBondContact O-N 2.91Å |
| 280 | L | 96.3 | Very high | 93.8 | Very high | 28 Ų | 28 | 22.3 Ų | 22.3 | 15% | 0.147 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 104.3 | 179.8 | -55.9 | -179.8 | 0 | 0 | 0 | 110 | A56 V85 H87 P276 F305 | A56-L280 HydrophobicContact CB-CB 4.28Å; A56-L280 VanDerWaalsContact CB-O 3.3Å; A56-L280 WeakPolarHBondContact CB-O 3.41Å; A56-L280 PolarHBondContact N-O 3.43Å; V85-L280 HydrophobicContact CG1-CB 3.79Å; V85-L280 HydrophobicContact CG1-CD2 3.83Å; V85-L280 HydrophobicContact CG1-CG 4.33Å; H87-L280 VanDerWaalsContact CE1-CD2 3.44Å; H87-L280 WeakPolarHBondContact CE1-CD2 3.45Å; H87-L280 WeakPolarHBondContact ND1-CD2 3.44Å; P276-L280 HydrophobicContact CB-CD1 3.93Å; P276-L280 HydrophobicContact CB-CG 4.26Å; P276-L280 VanDerWaalsContact O-CB 3.23Å; P276-L280 WeakPolarHBondContact O-CB 3.29Å; P276-L280 WeakPolarHBondContact O-CG 3.43Å; P276-L280 PolarHBondContact O-N 2.83Å; L280-F305 HydrophobicContact CD1-CE2 4.1Å; L280-F305 HydrophobicContact CD1-CZ 4.35Å |
| 281 | T | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 148.7 | 177.2 | 59.2 | 0 | 0 | 0 | 0 | 111.5 | V85 S86 T88 S261 H263 | V85-T281 WeakPolarHBondContact CA-O 3.27Å; S86-T281 VanDerWaalsContact CB-OG1 3.26Å; S86-T281 WeakPolarHBondContact CB-OG1 3.37Å; S86-T281 PolarHBondContact N-O 3Å; S86-T281 PolarHBondContact O-N 3.48Å; S86-T281 PolarHBondContact O-OG1 3.32Å; S86-T281 VanDerWaalsContact O-OG1 3.12Å; S86-T281 PolarHBondContact OG-OG1 2.88Å; T88-T281 HydrophobicContact CG2-CG2 4.42Å; S261-T281 WeakPolarHBondContact O-CB 3.31Å; S261-T281 PolarHBondContact O-OG1 3.33Å; H263-T281 VanDerWaalsContact C-CG2 3.41Å; H263-T281 VanDerWaalsContact CA-CG2 3.47Å |
| 282 | P | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 147.5 | 177.5 | 29.6 | -33.6 | 0 | 0 | 0 | 110.3 | L54 L59 Y60 T260 | L54-P282 HydrophobicContact CD2-CG 3.75Å; L54-P282 HydrophobicContact CG-CG 3.91Å; L54-P282 WeakPolarHBondContact O-CD 3.22Å; L59-P282 HydrophobicContact CB-CB 4.34Å; L59-P282 HydrophobicContact CB-CG 4.44Å; L59-P282 HydrophobicContact CD2-CB 3.25Å; L59-P282 HydrophobicContact CD2-CG 3.68Å; L59-P282 HydrophobicContact CG-CB 4.4Å; Y60-P282 HydrophobicContact CE1-CB 4.33Å; Y60-P282 HydrophobicContact CE2-CB 4.09Å; Y60-P282 WeakPolarHBondContact OH-CA 2.99Å; Y60-P282 WeakPolarHBondContact OH-CB 3.19Å; T260-P282 VanDerWaalsContact CA-O 3.25Å; T260-P282 WeakPolarHBondContact CA-O 3.47Å; T260-P282 PolarHBondContact OG1-O 3.39Å; T260-P282 VanDerWaalsContact OG1-O 3.08Å |
| 283 | F | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 117.2 | 172 | -177.3 | -111.3 | 0 | 0 | 0 | 110.6 | Y60 W83 G84 I258 T285 V319 I324 L327 Y348 | Y60-F283 PolarHBondContact OH-N 3.3Å; Y60-F283 VanDerWaalsContact OH-N 3.08Å; Y60-F283 PolarHBondContact OH-O 3.14Å; W83-F283 CarbonylContact C-O 3.55Å; W83-F283 VanDerWaalsContact CA-O 3.28Å; W83-F283 WeakPolarHBondContact CA-O 3.45Å; G84-F283 PolarHBondContact N-O 3.07Å; G84-F283 PolarHBondContact O-N 2.81Å; I258-F283 HydrophobicContact CG2-CD2 4.33Å; I258-F283 HydrophobicContact CG2-CE2 3.63Å; I258-F283 HydrophobicContact CG2-CZ 4.45Å; F283-T285 HydrophobicContact CE1-CG2 4Å; F283-T285 HydrophobicContact CZ-CG2 4.06Å; F283-V319 HydrophobicContact CD1-CG2 3.99Å; F283-V319 HydrophobicContact CE1-CG2 4.35Å; F283-V319 HydrophobicContact CG-CG2 4.19Å; F283-I324 HydrophobicContact CD2-CD1 3.56Å; F283-I324 HydrophobicContact CD2-CG1 4.11Å; F283-I324 HydrophobicContact CE2-CD1 3.62Å; F283-I324 HydrophobicContact CE2-CG1 3.68Å; F283-I324 HydrophobicContact CE2-CG2 4.07Å; F283-I324 HydrophobicContact CG-CD1 4.41Å; F283-I324 HydrophobicContact CZ-CG1 4.17Å; F283-L327 HydrophobicContact CE1-CD2 4.3Å; F283-L327 HydrophobicContact CZ-CD2 3.71Å; F283-Y348 HydrophobicContact CD1-CE1 4.04Å; F283-Y348 AromaticContact CD1-CZ 3.74Å; F283-Y348 WeakPolarHBondContact CD1-OH 3.35Å; F283-Y348 HydrophobicContact CE1-CD1 4.17Å; F283-Y348 AromaticContact CE1-CE1 3.58Å; F283-Y348 HydrophobicContact CE1-CE1 3.58Å; F283-Y348 HydrophobicContact CE1-CE2 4.08Å; F283-Y348 AromaticContact CE1-CZ 3.51Å |
| 284 | V | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 129.7 | 179.2 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | Y60 I73 V76 I77 W83 F259 W286 | Y60-V284 HydrophobicContact CE1-CG2 4.22Å; I73-V284 HydrophobicContact CG2-CB 4.3Å; I73-V284 HydrophobicContact CG2-CG1 4.33Å; I73-V284 HydrophobicContact CG2-CG2 3.82Å; V76-V284 HydrophobicContact CG1-CG1 3.86Å; I77-V284 HydrophobicContact CD1-CG2 3.91Å; I77-V284 HydrophobicContact CG1-CG1 3.84Å; I77-V284 HydrophobicContact CG1-CG2 3.91Å; W83-V284 HydrophobicContact CB-CG2 4.33Å; F259-V284 PolarHBondContact N-O 3.46Å; F259-V284 PolarHBondContact O-N 3.28Å; V284-W286 HydrophobicContact CG1-CE3 4.18Å; V284-W286 HydrophobicContact CG1-CZ3 4.32Å |
| 285 | T | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 145.5 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | G81 S82 F257 F283 I290 Y348 | G81-T285 CarbonylContact C-O 3.28Å; G81-T285 WeakPolarHBondContact CA-O 3.5Å; S82-T285 PolarHBondContact N-O 3.15Å; S82-T285 PolarHBondContact O-N 3.48Å; F257-T285 VanDerWaalsContact O-CA 3.26Å; F257-T285 WeakPolarHBondContact O-CA 3.46Å; F257-T285 WeakPolarHBondContact O-CB 3.35Å; F257-T285 PolarHBondContact O-OG1 2.92Å; F283-T285 HydrophobicContact CE1-CG2 4Å; F283-T285 HydrophobicContact CZ-CG2 4.06Å; T285-I290 HydrophobicContact CG2-CD1 4.04Å; T285-I290 HydrophobicContact CG2-CG2 3.96Å; T285-I290 WeakPolarHBondContact O-CG2 3.49Å; T285-I290 WeakPolarHBondContact OG1-CD1 3.48Å; T285-I290 WeakPolarHBondContact OG1-CG1 3.5Å; T285-Y348 HydrophobicContact CG2-CD1 3.35Å; T285-Y348 HydrophobicContact CG2-CE1 3.62Å; T285-Y348 HydrophobicContact CG2-CG 4.4Å |
| 286 | W | 98.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 173.9 | -177.2 | 67.8 | 103.5 | 0 | 0 | 0 | 111.6 | F72 I73 V76 V238 V242 F257 F259 V284 | F72-W286 HydrophobicContact CE1-CZ2 4.22Å; F72-W286 HydrophobicContact CZ-CZ2 4.48Å; I73-W286 HydrophobicContact CD1-CH2 4.24Å; I73-W286 HydrophobicContact CD1-CZ3 4.46Å; V76-W286 HydrophobicContact CG1-CB 3.73Å; V76-W286 HydrophobicContact CG1-CD2 3.54Å; V76-W286 HydrophobicContact CG1-CE3 3.59Å; V76-W286 HydrophobicContact CG1-CG 3.63Å; V76-W286 HydrophobicContact CG1-CZ3 4.39Å; V76-W286 HydrophobicContact CG2-CD2 4.36Å; V238-W286 HydrophobicContact CG1-CH2 4.39Å; V242-W286 HydrophobicContact CG2-CZ2 3.75Å; F257-W286 HydrophobicContact CB-CD2 3.6Å; F257-W286 HydrophobicContact CB-CE3 3.99Å; F257-W286 HydrophobicContact CB-CG 4.2Å; F257-W286 HydrophobicContact CB-CH2 3.81Å; F257-W286 HydrophobicContact CB-CZ2 3.39Å; F257-W286 HydrophobicContact CB-CZ3 4.09Å; F257-W286 HydrophobicContact CD1-CZ2 4.23Å; F257-W286 AromaticContact CD2-CD1 3.79Å; F257-W286 AromaticContact CD2-CE2 3.93Å; F257-W286 HydrophobicContact CD2-CG 4.48Å; F257-W286 HydrophobicContact CD2-CZ2 4.48Å; F257-W286 AromaticContact CD2-NE1 3.37Å; F257-W286 HydrophobicContact CG-CD2 4.38Å; F257-W286 AromaticContact CG-CE2 3.67Å; F257-W286 AromaticContact CG-CZ2 3.82Å; F257-W286 HydrophobicContact CG-CZ2 3.82Å; F257-W286 AromaticContact CG-NE1 3.61Å; F257-W286 PolarHBondContact N-O 3.19Å; F257-W286 PolarHBondContact O-N 2.99Å; F259-W286 HydrophobicContact CB-CH2 4.1Å; F259-W286 HydrophobicContact CB-CZ3 3.85Å; V284-W286 HydrophobicContact CG1-CE3 4.18Å; V284-W286 HydrophobicContact CG1-CZ3 4.32Å |
| 287 | G | 98.3 | Very high | 96.1 | Very high | 36 Ų | 36 | 33.9 Ų | 33.9 | 37% | 0.371 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.3 | -150.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G289 I290 | G287-G289 PolarHBondContact O-N 3.05Å; G287-I290 PolarHBondContact O-N 3.41Å |
| 288 | A | 98.3 | Very high | 96 | Very high | 9 Ų | 9 | 37 Ų | 37 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 124 | -171 | 0 | 0 | 0 | 0 | 0 | 112.4 | A43 G253 T255 I290 | A43-A288 HydrophobicContact CB-CB 3.76Å; G253-A288 VanDerWaalsContact O-CB 3.22Å; G253-A288 WeakPolarHBondContact O-CB 3.17Å; T255-A288 WeakPolarHBondContact O-CB 3.44Å; T255-A288 PolarHBondContact O-N 3.44Å; A288-I290 VanDerWaalsContact C-N 3.28Å; A288-I290 PolarHBondContact O-N 3.37Å |
| 289 | G | 97.3 | Very high | 95.9 | Very high | 13 Ų | 13 | 38.6 Ų | 38.6 | 13% | 0.134 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | P42 G287 L349 N350 | P42-G289 VanDerWaalsContact CB-CA 3.49Å; G287-G289 PolarHBondContact O-N 3.05Å; G289-L349 CarbonylContact O-C 3.57Å; G289-L349 WeakPolarHBondContact O-CA 3.45Å; G289-N350 PolarHBondContact O-N 3.06Å |
| 290 | I | 98.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -98.7 | 143.6 | 179.3 | -57.8 | -61.6 | 0 | 0 | 0 | 111.2 | T285 G287 A288 L331 Y348 N350 | T285-I290 HydrophobicContact CG2-CD1 4.04Å; T285-I290 HydrophobicContact CG2-CG2 3.96Å; T285-I290 WeakPolarHBondContact O-CG2 3.49Å; T285-I290 WeakPolarHBondContact OG1-CD1 3.48Å; T285-I290 WeakPolarHBondContact OG1-CG1 3.5Å; G287-I290 PolarHBondContact O-N 3.41Å; A288-I290 VanDerWaalsContact C-N 3.28Å; A288-I290 PolarHBondContact O-N 3.37Å; I290-L331 HydrophobicContact CD1-CD1 3.88Å; I290-L331 HydrophobicContact CD1-CD2 3.83Å; I290-L331 HydrophobicContact CD1-CG 4.48Å; I290-L331 HydrophobicContact CG1-CD2 4.49Å; I290-Y348 CarbonylContact C-O 3.45Å; I290-Y348 WeakPolarHBondContact CA-O 3.43Å; I290-N350 VanDerWaalsContact C-CB 3.41Å; I290-N350 WeakPolarHBondContact O-CB 3.12Å |
| 291 | K | 97.1 | Very high | 95.2 | Very high | 46 Ų | 46 | 47 Ų | 47 | 20% | 0.2 | 27% | 0.266 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 137.3 | 174.4 | -74.4 | -160.6 | -172.8 | 179.1 | 0 | 111.4 | G81 S82 G347 Y348 L349 N350 | G81-K291 CarbonylContact C-O 3.58Å; S82-K291 PolarHBondContact OG-O 3.44Å; K291-G347 WeakPolarHBondContact CD-O 3.35Å; K291-G347 VanDerWaalsContact CE-O 3.22Å; K291-G347 WeakPolarHBondContact CE-O 3.23Å; K291-Y348 PolarHBondContact N-O 3.3Å; K291-L349 WeakPolarHBondContact CE-O 3.42Å; K291-L349 WeakPolarHBondContact CG-O 3.42Å; K291-N350 HydrophobicContact CB-CB 4.5Å; K291-N350 HydrophobicContact CG-CB 3.95Å |
| 292 | F | 96.9 | Very high | 94.4 | Very high | 132 Ų | 132 | 55.2 Ų | 55.2 | 58% | 0.579 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 160.2 | 167.6 | -67.3 | -76.8 | 0 | 0 | 0 | 111.8 | ||
| 293 | P | 96.1 | Very high | 93.8 | Very high | 34 Ų | 34 | 57.2 Ų | 57.2 | 22% | 0.221 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 140.8 | 177.7 | -17.7 | 25.6 | 0 | 0 | 0 | 111.4 | I77 H79 G81 | I77-P293 WeakPolarHBondContact O-CG 3.47Å; H79-P293 VanDerWaalsContact C-CG 3.44Å; G81-P293 WeakPolarHBondContact O-CA 3.35Å; G81-P293 VanDerWaalsContact O-CD 3.31Å; G81-P293 WeakPolarHBondContact O-CD 3.29Å; G81-P293 VanDerWaalsContact O-CG 3.27Å; G81-P293 WeakPolarHBondContact O-CG 3.11Å |
| 294 | Q | 94.2 | Very high | 93 | Very high | 73 Ų | 73 | 64.8 Ų | 64.8 | 34% | 0.341 | 36% | 0.356 | S | S | . | . | trans | -118.6 | 122.5 | 179.8 | -62.6 | -168.7 | -36.4 | 0 | 0 | 109.8 | K315 R317 | Q294-K315 HydrophobicContact CB-CB 4.01Å; Q294-K315 HydrophobicContact CB-CD 4.4Å; Q294-K315 WeakPolarHBondContact O-CB 3.23Å; Q294-K315 PolarHBondContact O-N 3.44Å; Q294-R317 VanDerWaalsContact CD-NH2 3.33Å | ||
| 295 | N | 93.8 | Very high | 92.5 | Very high | 129 Ų | 129 | 68 Ų | 68 | 69% | 0.69 | 37% | 0.37 | S | S | * | . | B | Isolated β-bridge | trans | -76.7 | 134 | 173.2 | -73.1 | -18.1 | 0 | 0 | 0 | 110.7 | N313 | N295-N313 CarbonylContact C-O 3.59Å; N295-N313 WeakPolarHBondContact CA-O 3.42Å |
| 296 | V | 93.2 | Very high | 92 | Very high | 35 Ų | 35 | 68.3 Ų | 68.3 | 21% | 0.212 | 37% | 0.372 | C | S | . | . | trans | -132.8 | 142.7 | 178.3 | -68.2 | 0 | 0 | 0 | 0 | 110.2 | Q299 N313 K315 | V296-Q299 HydrophobicContact CG2-CG 4.39Å; V296-N313 PolarHBondContact N-O 2.89Å; V296-K315 HydrophobicContact CG1-CB 3.84Å; V296-K315 HydrophobicContact CG1-CD 4.11Å; V296-K315 HydrophobicContact CG1-CG 4.12Å; V296-K315 HydrophobicContact CG2-CB 4.17Å | ||
| 297 | S | 88.4 | Confident | 91.4 | Very high | 132 Ų | 132 | 75.5 Ų | 75.5 | 92% | 0.923 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -83.4 | -17.7 | 174.2 | 60.5 | 0 | 0 | 0 | 0 | 113 | ||
| 298 | A | 87.6 | Confident | 90.9 | Very high | 74 Ų | 74 | 79.4 Ų | 79.4 | 61% | 0.612 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -144.8 | 138.4 | 177 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 299 | Q | 91.8 | Very high | 90.7 | Very high | 39 Ų | 39 | 79.2 Ų | 79.2 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | trans | -90.2 | 158.1 | 176.7 | -67.7 | -77.2 | -5 | 0 | 0 | 110.4 | V296 Y301 L306 E312 W314 | V296-Q299 HydrophobicContact CG2-CG 4.39Å; Q299-Y301 VanDerWaalsContact C-N 3.27Å; Q299-L306 HydrophobicContact CB-CD1 3.86Å; Q299-L306 HydrophobicContact CG-CD1 3.82Å; Q299-L306 HydrophobicContact CG-CD2 4.49Å; Q299-E312 WeakPolarHBondContact CG-O 3.24Å; Q299-E312 PolarHBondContact NE2-O 2.92Å; Q299-W314 VanDerWaalsContact NE2-C 3.34Å; Q299-W314 PolarHBondContact NE2-O 2.87Å | ||
| 300 | Q | 89.6 | Confident | 90.5 | Very high | 167 Ų | 167 | 85.7 Ų | 85.7 | 78% | 0.78 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -75.4 | -21.6 | 170.4 | -178.7 | 176.1 | -13.4 | 0 | 0 | 112 | ||
| 301 | Y | 87.4 | Confident | 90.2 | Very high | 62 Ų | 62 | 85.5 Ų | 85.5 | 24% | 0.243 | 43% | 0.429 | C | S | . | . | trans | -100.7 | 129.3 | -176.5 | -53 | -85.3 | 0 | 0 | 0 | 109.6 | Q299 R316 D318 | Q299-Y301 VanDerWaalsContact C-N 3.27Å; Y301-R316 HydrophobicContact CD2-CB 4.04Å; Y301-R316 HydrophobicContact CD2-CG 3.9Å; Y301-R316 HydrophobicContact CE2-CB 4.17Å; Y301-R316 HydrophobicContact CE2-CG 3.89Å; Y301-R316 WeakPolarHBondContact CE2-O 3.34Å; Y301-D318 HydrophobicContact CE1-CB 4.01Å; Y301-D318 WeakPolarHBondContact OH-CB 3.15Å; Y301-D318 PolarHBondContact OH-N 2.98Å | ||
| 302 | D | 80.8 | Confident | 90 | Very high | 172 Ų | 172 | 86.7 Ų | 86.7 | 92% | 0.92 | 44% | 0.435 | S | S | * | . | trans | -110 | 72.9 | 175.5 | -170.2 | 22.3 | 0 | 0 | 0 | 108.8 | ||||
| 303 | D | 85.5 | Confident | 89.8 | Confident | 42 Ų | 42 | 84.7 Ų | 84.7 | 23% | 0.225 | 43% | 0.43 | C | S | . | . | trans | -123.3 | 161.3 | 176.5 | 62.1 | 35.7 | 0 | 0 | 0 | 112.1 | F305 L306 R316 | D303-F305 VanDerWaalsContact C-N 3.26Å; D303-F305 HydrophobicContact CB-CD2 3.98Å; D303-F305 PolarHBondContact O-N 3.31Å; D303-F305 PolarHBondContact OD1-N 2.96Å; D303-L306 PolarHBondContact OD1-N 2.86Å; D303-R316 IonicContact OD1-NH1 3.57Å; D303-R316 PolarHBondContact OD1-NH1 3.42Å; D303-R316 IonicContact OD2-CZ 3.64Å; D303-R316 IonicContact OD2-NH1 3.41Å; D303-R316 PolarHBondContact OD2-NH1 2.97Å; D303-R316 IonicContact OD2-NH2 3.47Å | ||
| 304 | E | 83.1 | Confident | 89.8 | Confident | 159 Ų | 159 | 85.2 Ų | 85.2 | 74% | 0.743 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -72.3 | -22.9 | 179.1 | -64.2 | -173.2 | 158.1 | 0 | 0 | 111.9 | L306 K307 E308 | E304-L306 PolarHBondContact O-N 3.02Å; E304-K307 PolarHBondContact O-N 3.29Å; E304-E308 PolarHBondContact O-N 2.99Å |
| 305 | F | 87.3 | Confident | 89.9 | Confident | 67 Ų | 67 | 85.4 Ų | 85.4 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61 | -41.9 | -175.3 | -58.3 | -51.7 | 0 | 0 | 0 | 113.6 | L280 D303 K307 E308 W309 | L280-F305 HydrophobicContact CD1-CE2 4.1Å; L280-F305 HydrophobicContact CD1-CZ 4.35Å; D303-F305 VanDerWaalsContact C-N 3.26Å; D303-F305 HydrophobicContact CB-CD2 3.98Å; D303-F305 PolarHBondContact O-N 3.31Å; D303-F305 PolarHBondContact OD1-N 2.96Å; F305-K307 VanDerWaalsContact C-N 3.25Å; F305-K307 PolarHBondContact O-N 3.46Å; F305-E308 PolarHBondContact O-N 3.21Å; F305-E308 VanDerWaalsContact O-N 3.13Å; F305-W309 HydrophobicContact CB-CD2 4.1Å; F305-W309 HydrophobicContact CB-CE3 4.18Å; F305-W309 HydrophobicContact CB-CH2 3.71Å; F305-W309 HydrophobicContact CB-CZ2 3.6Å; F305-W309 HydrophobicContact CB-CZ3 4Å; F305-W309 HydrophobicContact CD1-CZ2 4.29Å; F305-W309 HydrophobicContact CG-CH2 4.19Å; F305-W309 AromaticContact CG-CZ2 3.97Å; F305-W309 HydrophobicContact CG-CZ2 3.97Å; F305-W309 WeakPolarHBondContact O-CB 3.3Å; F305-W309 PolarHBondContact O-N 2.97Å |
| 306 | L | 87.6 | Confident | 89.9 | Confident | 8 Ų | 8 | 79.7 Ų | 79.7 | 4% | 0.042 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -57.9 | -38.2 | -177.7 | -80.9 | 164.2 | 0 | 0 | 0 | 113.1 | W83 Q299 D303 E304 R310 L311 E312 R316 | W83-L306 HydrophobicContact CH2-CD2 3.87Å; W83-L306 HydrophobicContact CZ2-CD2 4.22Å; Q299-L306 HydrophobicContact CB-CD1 3.86Å; Q299-L306 HydrophobicContact CG-CD1 3.82Å; Q299-L306 HydrophobicContact CG-CD2 4.49Å; D303-L306 PolarHBondContact OD1-N 2.86Å; E304-L306 PolarHBondContact O-N 3.02Å; L306-R310 PolarHBondContact O-N 2.84Å; L306-L311 PolarHBondContact O-N 3.49Å; L306-E312 HydrophobicContact CB-CG 4.39Å; L306-R316 HydrophobicContact CD2-CB 4.34Å |
| 307 | K | 86.4 | Confident | 90.1 | Very high | 153 Ų | 153 | 79.4 Ų | 79.4 | 67% | 0.665 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -70.8 | -41.7 | 177.6 | -67.9 | 177 | -175.7 | 166 | 0 | 111.4 | E304 F305 W309 R310 E312 | E304-K307 PolarHBondContact O-N 3.29Å; F305-K307 VanDerWaalsContact C-N 3.25Å; F305-K307 PolarHBondContact O-N 3.46Å; K307-W309 VanDerWaalsContact C-N 3.32Å; K307-W309 PolarHBondContact O-N 2.83Å; K307-R310 PolarHBondContact O-N 3.16Å; K307-E312 WeakPolarHBondContact CA-OE1 3.36Å; K307-E312 HydrophobicContact CG-CG 4.37Å |
| 308 | E | 88.6 | Confident | 90.5 | Very high | 118 Ų | 118 | 74.6 Ų | 74.6 | 55% | 0.551 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.8 | -40 | 177 | -66.3 | 179.8 | 166.3 | 0 | 0 | 111.6 | E304 F305 R310 | E304-E308 PolarHBondContact O-N 2.99Å; F305-E308 PolarHBondContact O-N 3.21Å; F305-E308 VanDerWaalsContact O-N 3.13Å; E308-R310 VanDerWaalsContact C-N 3.3Å; E308-R310 PolarHBondContact O-N 2.92Å |
| 309 | W | 93 | Very high | 91 | Very high | 5 Ų | 5 | 71.3 Ų | 71.3 | 2% | 0.019 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -78.3 | -12.7 | -179.5 | -58.3 | -18.8 | 0 | 0 | 0 | 114 | D57 Y60 R74 W83 V85 F305 K307 L311 | D57-W309 HydrophobicContact CB-CZ2 4.49Å; Y60-W309 VanDerWaalsContact CB-CG 3.46Å; Y60-W309 AromaticContact CD2-CD2 3.99Å; Y60-W309 HydrophobicContact CD2-CD2 3.99Å; Y60-W309 AromaticContact CD2-CE3 3.84Å; Y60-W309 HydrophobicContact CD2-CE3 3.84Å; Y60-W309 AromaticContact CD2-CH2 3.91Å; Y60-W309 HydrophobicContact CD2-CH2 3.91Å; Y60-W309 HydrophobicContact CD2-CZ2 4.03Å; Y60-W309 AromaticContact CD2-CZ3 3.81Å; Y60-W309 HydrophobicContact CD2-CZ3 3.81Å; Y60-W309 HydrophobicContact CE2-CH2 4.5Å; Y60-W309 HydrophobicContact CE2-CZ3 4.37Å; Y60-W309 HydrophobicContact CG-CD2 4.19Å; Y60-W309 HydrophobicContact CG-CE3 4.31Å; R74-W309 PolarHBondContact NH1-O 3.2Å; R74-W309 PolarHBondContact NH2-O 3.42Å; W83-W309 HydrophobicContact CH2-CE3 4.13Å; W83-W309 HydrophobicContact CH2-CZ3 4.45Å; W83-W309 HydrophobicContact CZ3-CE3 4.03Å; W83-W309 HydrophobicContact CZ3-CZ3 4.11Å; V85-W309 HydrophobicContact CG2-CH2 3.89Å; V85-W309 HydrophobicContact CG2-CZ3 4.15Å; F305-W309 HydrophobicContact CB-CD2 4.1Å; F305-W309 HydrophobicContact CB-CE3 4.18Å; F305-W309 HydrophobicContact CB-CH2 3.71Å; F305-W309 HydrophobicContact CB-CZ2 3.6Å; F305-W309 HydrophobicContact CB-CZ3 4Å; F305-W309 HydrophobicContact CD1-CZ2 4.29Å; F305-W309 HydrophobicContact CG-CH2 4.19Å; F305-W309 AromaticContact CG-CZ2 3.97Å; F305-W309 HydrophobicContact CG-CZ2 3.97Å; F305-W309 WeakPolarHBondContact O-CB 3.3Å; F305-W309 PolarHBondContact O-N 2.97Å; K307-W309 VanDerWaalsContact C-N 3.32Å; K307-W309 PolarHBondContact O-N 2.83Å; W309-L311 VanDerWaalsContact C-N 3.3Å; W309-L311 HydrophobicContact CB-CB 4.45Å; W309-L311 HydrophobicContact CB-CD1 4.24Å; W309-L311 HydrophobicContact CB-CG 4.32Å; W309-L311 PolarHBondContact O-N 3.03Å |
| 310 | R | 93.2 | Very high | 91.3 | Very high | 149 Ų | 149 | 72.6 Ų | 72.6 | 56% | 0.562 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 46.7 | -172.1 | -56.2 | -168.3 | -175.2 | 166.2 | -1.7 | 112.6 | L62 R74 L306 K307 E308 E312 | L62-R310 HydrophobicContact CD1-CB 4.09Å; L62-R310 HydrophobicContact CD1-CG 3.86Å; R74-R310 PolarHBondContact NH2-O 3.33Å; L306-R310 PolarHBondContact O-N 2.84Å; K307-R310 PolarHBondContact O-N 3.16Å; E308-R310 VanDerWaalsContact C-N 3.3Å; E308-R310 PolarHBondContact O-N 2.92Å; R310-E312 VanDerWaalsContact CA-OE2 3.3Å; R310-E312 WeakPolarHBondContact CA-OE2 3.25Å |
| 311 | L | 93.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -122.4 | 18.3 | -179.7 | -70.2 | 174.8 | 0 | 0 | 0 | 112.3 | Y60 I77 W83 L306 W309 N313 W314 | Y60-L311 HydrophobicContact CD1-CD1 4.41Å; I77-L311 HydrophobicContact CG2-CD1 4.44Å; I77-L311 HydrophobicContact CG2-CD2 4.09Å; W83-L311 HydrophobicContact CE3-CD1 4.29Å; W83-L311 HydrophobicContact CH2-CB 3.73Å; W83-L311 HydrophobicContact CH2-CD1 3.75Å; W83-L311 HydrophobicContact CH2-CG 4.4Å; W83-L311 HydrophobicContact CZ2-CB 3.61Å; W83-L311 HydrophobicContact CZ2-CD1 4.03Å; W83-L311 HydrophobicContact CZ2-CG 4.4Å; W83-L311 HydrophobicContact CZ3-CD1 3.89Å; L306-L311 PolarHBondContact O-N 3.49Å; W309-L311 VanDerWaalsContact C-N 3.3Å; W309-L311 HydrophobicContact CB-CB 4.45Å; W309-L311 HydrophobicContact CB-CD1 4.24Å; W309-L311 HydrophobicContact CB-CG 4.32Å; W309-L311 PolarHBondContact O-N 3.03Å; L311-N313 PolarHBondContact O-N 2.64Å; L311-N313 VanDerWaalsContact O-N 3.11Å; L311-W314 HydrophobicContact CD2-CE3 4.11Å; L311-W314 PolarHBondContact O-N 2.87Å | ||
| 312 | E | 92.4 | Very high | 92.1 | Very high | 70 Ų | 70 | 61.8 Ų | 61.8 | 33% | 0.327 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.8 | -173.8 | -49.9 | 93.5 | 141.8 | 0 | 0 | 112.8 | Q299 L306 K307 R310 | Q299-E312 WeakPolarHBondContact CG-O 3.24Å; Q299-E312 PolarHBondContact NE2-O 2.92Å; L306-E312 HydrophobicContact CB-CG 4.39Å; K307-E312 WeakPolarHBondContact CA-OE1 3.36Å; K307-E312 HydrophobicContact CG-CG 4.37Å; R310-E312 VanDerWaalsContact CA-OE2 3.3Å; R310-E312 WeakPolarHBondContact CA-OE2 3.25Å |
| 313 | N | 93.1 | Very high | 93 | Very high | 91 Ų | 91 | 54.2 Ų | 54.2 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -15.2 | -177.9 | -63 | -38.5 | 0 | 0 | 0 | 113.5 | N295 V296 L311 | N295-N313 CarbonylContact C-O 3.59Å; N295-N313 WeakPolarHBondContact CA-O 3.42Å; V296-N313 PolarHBondContact N-O 2.89Å; L311-N313 PolarHBondContact O-N 2.64Å; L311-N313 VanDerWaalsContact O-N 3.11Å |
| 314 | W | 95.1 | Very high | 93.6 | Very high | 44 Ų | 44 | 52.2 Ų | 52.2 | 17% | 0.167 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -102 | 119.8 | -178.4 | -71.1 | -96.3 | 0 | 0 | 0 | 110.3 | M78 W83 Q299 L311 R316 | M78-W314 HydrophobicContact CB-CZ2 4.29Å; M78-W314 HydrophobicContact CE-CH2 3.65Å; M78-W314 HydrophobicContact CE-CZ2 3.49Å; M78-W314 VanDerWaalsContact CE-CZ2 3.49Å; M78-W314 HydrophobicContact CG-CD2 4.42Å; M78-W314 HydrophobicContact CG-CZ2 3.94Å; M78-W314 PolarHBondContact O-NE1 3.42Å; M78-W314 HydrophobicContact SD-CZ2 4.48Å; W83-W314 WeakPolarHBondContact CZ2-O 3.4Å; W83-W314 PolarHBondContact NE1-O 3.45Å; Q299-W314 VanDerWaalsContact NE2-C 3.34Å; Q299-W314 PolarHBondContact NE2-O 2.87Å; L311-W314 HydrophobicContact CD2-CE3 4.11Å; L311-W314 PolarHBondContact O-N 2.87Å; W314-R316 PolarHBondContact O-N 2.73Å |
| 315 | K | 95.8 | Very high | 94.3 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 34% | 0.339 | 20% | 0.201 | S | C | . | . | trans | -54.1 | 110.2 | -174.5 | -173.1 | 172.3 | -178.7 | 167.3 | 0 | 112.2 | Q294 V296 R317 | Q294-K315 HydrophobicContact CB-CB 4.01Å; Q294-K315 HydrophobicContact CB-CD 4.4Å; Q294-K315 WeakPolarHBondContact O-CB 3.23Å; Q294-K315 PolarHBondContact O-N 3.44Å; V296-K315 HydrophobicContact CG1-CB 3.84Å; V296-K315 HydrophobicContact CG1-CD 4.11Å; V296-K315 HydrophobicContact CG1-CG 4.12Å; V296-K315 HydrophobicContact CG2-CB 4.17Å; K315-R317 HydrophobicContact CG-CG 4.43Å | ||
| 316 | R | 95.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 3% | 0.03 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -76.3 | 142.4 | 172.6 | 177.7 | 172.9 | 168.1 | -168.3 | -11.2 | 109.9 | W83 Y301 D303 L306 W314 D318 | W83-R316 HydrophobicContact CH2-CB 4.03Å; W83-R316 HydrophobicContact CH2-CG 4.18Å; W83-R316 HydrophobicContact CZ2-CB 3.8Å; W83-R316 HydrophobicContact CZ2-CG 4.4Å; W83-R316 HydrophobicContact CZ3-CG 4.35Å; Y301-R316 HydrophobicContact CD2-CB 4.04Å; Y301-R316 HydrophobicContact CD2-CG 3.9Å; Y301-R316 HydrophobicContact CE2-CB 4.17Å; Y301-R316 HydrophobicContact CE2-CG 3.89Å; Y301-R316 WeakPolarHBondContact CE2-O 3.34Å; D303-R316 IonicContact OD1-NH1 3.57Å; D303-R316 PolarHBondContact OD1-NH1 3.42Å; D303-R316 IonicContact OD2-CZ 3.64Å; D303-R316 IonicContact OD2-NH1 3.41Å; D303-R316 PolarHBondContact OD2-NH1 2.97Å; D303-R316 IonicContact OD2-NH2 3.47Å; L306-R316 HydrophobicContact CD2-CB 4.34Å; W314-R316 PolarHBondContact O-N 2.73Å; R316-D318 WeakPolarHBondContact CG-OD1 3.47Å; R316-D318 IonicContact CZ-OD1 2.68Å; R316-D318 IonicContact CZ-OD2 2.91Å; R316-D318 IonicContact NE-OD1 3.82Å; R316-D318 PolarHBondContact NE-OD1 2.91Å; R316-D318 IonicContact NE-OD2 2.74Å; R316-D318 PolarHBondContact NE-OD2 2.87Å; R316-D318 IonicContact NH2-OD1 3.67Å; R316-D318 PolarHBondContact NH2-OD1 3.04Å; R316-D318 IonicContact NH2-OD2 2.65Å; R316-D318 PolarHBondContact NH2-OD2 3.16Å |
| 317 | R | 95.9 | Very high | 95.4 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 11% | 0.109 | 19% | 0.185 | C | C | . | . | trans | -139.3 | 107.3 | 176.1 | -62.7 | 172 | -171.7 | -128.9 | 13.8 | 108.9 | W83 G84 Q294 K315 G347 Y348 | W83-R317 PolarHBondContact O-N 3.33Å; G84-R317 WeakPolarHBondContact CA-O 3.32Å; Q294-R317 VanDerWaalsContact CD-NH2 3.33Å; K315-R317 HydrophobicContact CG-CG 4.43Å; R317-G347 PolarHBondContact NH1-O 3.28Å; R317-Y348 HydrophobicContact CB-CE2 3.65Å; R317-Y348 PolarHBondContact O-OH 2.97Å | ||
| 318 | D | 97 | Very high | 96 | Very high | 31 Ų | 31 | 33.8 Ų | 33.8 | 17% | 0.166 | 15% | 0.154 | C | C | . | . | trans | -84.3 | 152 | 178.6 | -71.1 | 7.5 | 0 | 0 | 0 | 111.1 | V85 H87 Y301 R316 | V85-D318 PolarHBondContact N-OD1 3.22Å; V85-D318 VanDerWaalsContact O-CA 3.24Å; V85-D318 WeakPolarHBondContact O-CA 3.48Å; V85-D318 WeakPolarHBondContact O-CB 3.45Å; H87-D318 IonicContact CD2-OD2 3.56Å; H87-D318 IonicContact CE1-OD2 2.84Å; H87-D318 IonicContact NE2-OD2 3.59Å; H87-D318 PolarHBondContact NE2-OD2 3.15Å; Y301-D318 HydrophobicContact CE1-CB 4.01Å; Y301-D318 WeakPolarHBondContact OH-CB 3.15Å; Y301-D318 PolarHBondContact OH-N 2.98Å; R316-D318 WeakPolarHBondContact CG-OD1 3.47Å; R316-D318 IonicContact CZ-OD1 2.68Å; R316-D318 IonicContact CZ-OD2 2.91Å; R316-D318 IonicContact NE-OD1 3.82Å; R316-D318 PolarHBondContact NE-OD1 2.91Å; R316-D318 IonicContact NE-OD2 2.74Å; R316-D318 PolarHBondContact NE-OD2 2.87Å; R316-D318 IonicContact NH2-OD1 3.67Å; R316-D318 PolarHBondContact NH2-OD1 3.04Å; R316-D318 IonicContact NH2-OD2 2.65Å; R316-D318 PolarHBondContact NH2-OD2 3.16Å | ||
| 319 | V | 97.9 | Very high | 96.4 | Very high | 5 Ų | 5 | 28.2 Ų | 28.2 | 3% | 0.03 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 151 | 177.8 | -63.2 | 0 | 0 | 0 | 0 | 109.7 | V85 S86 H87 F283 D323 I324 P345 Y348 | V85-V319 PolarHBondContact O-N 2.89Å; S86-V319 WeakPolarHBondContact CA-O 3.22Å; H87-V319 PolarHBondContact CD2-O 3.38Å; H87-V319 PolarHBondContact N-O 3.13Å; F283-V319 HydrophobicContact CD1-CG2 3.99Å; F283-V319 HydrophobicContact CE1-CG2 4.35Å; F283-V319 HydrophobicContact CG-CG2 4.19Å; V319-D323 HydrophobicContact CB-CB 4.23Å; V319-I324 HydrophobicContact CG2-CD1 4.23Å; V319-I324 HydrophobicContact CG2-CG1 4.07Å; V319-P345 HydrophobicContact CG1-CB 3.98Å; V319-P345 HydrophobicContact CG1-CG 4.24Å; V319-Y348 HydrophobicContact CG1-CD2 4.38Å; V319-Y348 HydrophobicContact CG1-CE2 3.68Å |
| 320 | N | 98.1 | Very high | 96.6 | Very high | 66 Ų | 66 | 28.1 Ų | 28.1 | 35% | 0.353 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 146.8 | 160.8 | -56.4 | -76.8 | 0 | 0 | 0 | 108 | Y106 A322 D323 | Y106-N320 WeakPolarHBondContact OH-CB 3.31Å; N320-A322 PolarHBondContact O-N 2.9Å; N320-A322 VanDerWaalsContact O-N 3.11Å; N320-D323 VanDerWaalsContact CB-OD2 3.3Å; N320-D323 WeakPolarHBondContact CB-OD2 3.37Å; N320-D323 PolarHBondContact N-OD2 3.36Å; N320-D323 PolarHBondContact ND2-OD2 2.96Å; N320-D323 VanDerWaalsContact ND2-OD2 3.12Å; N320-D323 WeakPolarHBondContact O-CB 3.48Å; N320-D323 PolarHBondContact O-N 3.16Å |
| 321 | Q | 97.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -56 | -35.2 | -176.8 | -169.6 | 173.3 | 53.6 | 0 | 0 | 113.6 | H87 T88 A100 L101 S261 D262 D323 I324 | H87-Q321 PolarHBondContact O-N 2.95Å; T88-Q321 PolarHBondContact OG1-OE1 3.2Å; A100-Q321 HydrophobicContact CB-CB 4.33Å; A100-Q321 HydrophobicContact CB-CG 3.99Å; L101-Q321 HydrophobicContact CD2-CG 3.51Å; L101-Q321 HydrophobicContact CG-CG 3.71Å; S261-Q321 PolarHBondContact O-NE2 3.34Å; D262-Q321 PolarHBondContact O-NE2 3.28Å; Q321-D323 PolarHBondContact O-N 2.85Å; Q321-I324 WeakPolarHBondContact O-CB 3.44Å; Q321-I324 PolarHBondContact O-N 2.89Å |
| 322 | A | 97.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | -63.9 | -23.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A100 G104 Y106 N320 I324 A325 P326 V341 G342 | A100-A322 WeakPolarHBondContact O-CA 3.34Å; G104-A322 WeakPolarHBondContact O-CB 3.33Å; Y106-A322 HydrophobicContact CE1-CB 4.35Å; Y106-A322 HydrophobicContact CE2-CB 3.67Å; Y106-A322 PolarHBondContact OH-N 2.86Å; N320-A322 PolarHBondContact O-N 2.9Å; N320-A322 VanDerWaalsContact O-N 3.11Å; A322-I324 PolarHBondContact O-N 2.92Å; A322-A325 PolarHBondContact O-N 2.84Å; A322-P326 WeakPolarHBondContact O-CD 3.31Å; A322-V341 HydrophobicContact CB-CG2 4.3Å; A322-G342 WeakPolarHBondContact O-CA 3.32Å |
| 323 | D | 98.6 | Very high | 97.3 | Very high | 14 Ų | 14 | 18.3 Ų | 18.3 | 8% | 0.075 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -72.5 | -13.4 | -179.5 | -56.3 | -23.4 | 0 | 0 | 0 | 112 | V319 N320 Q321 P326 L327 G342 I343 P345 | V319-D323 HydrophobicContact CB-CB 4.23Å; N320-D323 VanDerWaalsContact CB-OD2 3.3Å; N320-D323 WeakPolarHBondContact CB-OD2 3.37Å; N320-D323 PolarHBondContact N-OD2 3.36Å; N320-D323 PolarHBondContact ND2-OD2 2.96Å; N320-D323 VanDerWaalsContact ND2-OD2 3.12Å; N320-D323 WeakPolarHBondContact O-CB 3.48Å; N320-D323 PolarHBondContact O-N 3.16Å; Q321-D323 PolarHBondContact O-N 2.85Å; D323-P326 VanDerWaalsContact C-CD 3.48Å; D323-P326 VanDerWaalsContact O-CD 3.3Å; D323-P326 WeakPolarHBondContact O-CD 3.2Å; D323-P326 VanDerWaalsContact O-CG 3.23Å; D323-P326 WeakPolarHBondContact O-CG 3.47Å; D323-L327 PolarHBondContact O-N 2.91Å; D323-G342 WeakPolarHBondContact OD1-CA 3.16Å; D323-I343 WeakPolarHBondContact CB-O 3.24Å; D323-I343 PolarHBondContact OD1-N 3.44Å; D323-P345 HydrophobicContact CB-CG 4.48Å; D323-P345 WeakPolarHBondContact O-CD 3.48Å |
| 324 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -72.9 | -36.3 | 178.9 | -61.9 | 171.4 | 0 | 0 | 0 | 110.7 | L101 I258 F283 V319 Q321 A322 L327 M328 | L101-I324 HydrophobicContact CD2-CB 4.16Å; L101-I324 HydrophobicContact CD2-CD1 3.36Å; L101-I324 HydrophobicContact CD2-CG1 4.29Å; L101-I324 HydrophobicContact CD2-CG2 4.25Å; I258-I324 HydrophobicContact CD1-CG2 4.42Å; F283-I324 HydrophobicContact CD2-CD1 3.56Å; F283-I324 HydrophobicContact CD2-CG1 4.11Å; F283-I324 HydrophobicContact CE2-CD1 3.62Å; F283-I324 HydrophobicContact CE2-CG1 3.68Å; F283-I324 HydrophobicContact CE2-CG2 4.07Å; F283-I324 HydrophobicContact CG-CD1 4.41Å; F283-I324 HydrophobicContact CZ-CG1 4.17Å; V319-I324 HydrophobicContact CG2-CD1 4.23Å; V319-I324 HydrophobicContact CG2-CG1 4.07Å; Q321-I324 WeakPolarHBondContact O-CB 3.44Å; Q321-I324 PolarHBondContact O-N 2.89Å; A322-I324 PolarHBondContact O-N 2.92Å; I324-L327 WeakPolarHBondContact O-CB 3.32Å; I324-L327 PolarHBondContact O-N 3Å; I324-M328 HydrophobicContact CG2-CE 4.07Å; I324-M328 HydrophobicContact CG2-CG 4.3Å; I324-M328 HydrophobicContact CG2-SD 4.25Å; I324-M328 VanDerWaalsContact O-CG 3.31Å; I324-M328 WeakPolarHBondContact O-CG 3.43Å; I324-M328 PolarHBondContact O-N 2.94Å |
| 325 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.5 | -53 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L101 G104 A322 L327 M328 A329 P337 | L101-A325 WeakPolarHBondContact O-CA 3.36Å; L101-A325 WeakPolarHBondContact O-CB 3.47Å; L101-A325 PolarHBondContact O-N 3.48Å; G104-A325 VanDerWaalsContact CA-CB 3.47Å; A322-A325 PolarHBondContact O-N 2.84Å; A325-L327 VanDerWaalsContact C-N 3.3Å; A325-L327 PolarHBondContact O-N 3.28Å; A325-M328 PolarHBondContact O-N 2.91Å; A325-A329 PolarHBondContact O-N 3.39Å; A325-P337 HydrophobicContact CB-CG 4.45Å |
| 326 | P | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.8 | -32.3 | 176.1 | 25.2 | -33.8 | 0 | 0 | 0 | 112.7 | A322 D323 A329 S330 F336 L344 | A322-P326 WeakPolarHBondContact O-CD 3.31Å; D323-P326 VanDerWaalsContact C-CD 3.48Å; D323-P326 VanDerWaalsContact O-CD 3.3Å; D323-P326 WeakPolarHBondContact O-CD 3.2Å; D323-P326 VanDerWaalsContact O-CG 3.23Å; D323-P326 WeakPolarHBondContact O-CG 3.47Å; P326-A329 PolarHBondContact O-N 2.84Å; P326-S330 WeakPolarHBondContact O-CB 3.49Å; P326-S330 PolarHBondContact O-N 3.49Å; P326-S330 PolarHBondContact O-OG 3.46Å; P326-F336 HydrophobicContact CB-CD1 3.47Å; P326-F336 VanDerWaalsContact CB-CD1 3.47Å; P326-F336 HydrophobicContact CB-CE1 3.45Å; P326-F336 VanDerWaalsContact CB-CE1 3.45Å; P326-F336 WeakPolarHBondContact O-CE1 3.44Å; P326-L344 HydrophobicContact CB-CB 4.34Å; P326-L344 HydrophobicContact CB-CD1 4.48Å; P326-L344 WeakPolarHBondContact O-CD1 3.29Å |
| 327 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.3 | -52.6 | 171.9 | 177.9 | 61.6 | 0 | 0 | 0 | 110.8 | F283 D323 I324 A325 A329 S330 L331 P345 L349 | F283-L327 HydrophobicContact CE1-CD2 4.3Å; F283-L327 HydrophobicContact CZ-CD2 3.71Å; D323-L327 PolarHBondContact O-N 2.91Å; I324-L327 WeakPolarHBondContact O-CB 3.32Å; I324-L327 PolarHBondContact O-N 3Å; A325-L327 VanDerWaalsContact C-N 3.3Å; A325-L327 PolarHBondContact O-N 3.28Å; L327-A329 PolarHBondContact O-N 3.04Å; L327-S330 PolarHBondContact O-N 3.33Å; L327-S330 PolarHBondContact O-OG 3.25Å; L327-L331 HydrophobicContact CD1-CD1 4.23Å; L327-L331 HydrophobicContact CD1-CG 4.39Å; L327-L331 HydrophobicContact CG-CD1 4.11Å; L327-L331 WeakPolarHBondContact O-CG 3.23Å; L327-L331 PolarHBondContact O-N 2.86Å; L327-L331 VanDerWaalsContact O-N 3.11Å; L327-P345 HydrophobicContact CB-CG 3.95Å; L327-P345 HydrophobicContact CD1-CG 4.35Å; L327-P345 HydrophobicContact CD2-CG 4.19Å; L327-P345 HydrophobicContact CG-CG 4.39Å; L327-L349 HydrophobicContact CD1-CD2 3.79Å; L327-L349 HydrophobicContact CD1-CG 4.33Å |
| 328 | M | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -57.5 | -47.7 | 177.9 | -71.1 | -171.7 | -62.3 | 0 | 0 | 112 | L46 L48 L101 L126 I258 I324 A325 S330 L331 I332 | L46-M328 HydrophobicContact CD1-CG 4.47Å; L46-M328 HydrophobicContact CD2-CB 3.65Å; L46-M328 HydrophobicContact CD2-CG 3.52Å; L46-M328 HydrophobicContact CD2-SD 3.62Å; L48-M328 HydrophobicContact CD1-SD 4.17Å; L48-M328 HydrophobicContact CD2-CE 4.45Å; L48-M328 HydrophobicContact CD2-SD 3.99Å; L48-M328 HydrophobicContact CG-SD 4.48Å; L101-M328 WeakPolarHBondContact O-CE 3.41Å; L126-M328 HydrophobicContact CD1-CB 3.84Å; L126-M328 HydrophobicContact CD2-CB 3.65Å; L126-M328 HydrophobicContact CD2-CE 3.91Å; L126-M328 HydrophobicContact CD2-CG 4.29Å; L126-M328 HydrophobicContact CD2-SD 3.82Å; L126-M328 HydrophobicContact CG-CB 4.38Å; I258-M328 HydrophobicContact CD1-CG 3.38Å; I258-M328 HydrophobicContact CD1-SD 4.05Å; I324-M328 HydrophobicContact CG2-CE 4.07Å; I324-M328 HydrophobicContact CG2-CG 4.3Å; I324-M328 HydrophobicContact CG2-SD 4.25Å; I324-M328 VanDerWaalsContact O-CG 3.31Å; I324-M328 WeakPolarHBondContact O-CG 3.43Å; I324-M328 PolarHBondContact O-N 2.94Å; A325-M328 PolarHBondContact O-N 2.91Å; M328-S330 VanDerWaalsContact C-N 3.31Å; M328-S330 PolarHBondContact O-N 3.19Å; M328-L331 PolarHBondContact O-N 3.42Å; M328-L331 VanDerWaalsContact O-N 3.15Å; M328-I332 PolarHBondContact O-N 3.16Å |
| 329 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -58.4 | -43.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L126 A325 P326 L327 L331 G333 V334 F336 | L126-A329 HydrophobicContact CD1-CB 3.99Å; A325-A329 PolarHBondContact O-N 3.39Å; P326-A329 PolarHBondContact O-N 2.84Å; L327-A329 PolarHBondContact O-N 3.04Å; A329-L331 VanDerWaalsContact C-N 3.34Å; A329-L331 PolarHBondContact O-N 3.46Å; A329-G333 WeakPolarHBondContact O-CA 3.44Å; A329-G333 PolarHBondContact O-N 3.34Å; A329-V334 HydrophobicContact CB-CG2 3.94Å; A329-V334 PolarHBondContact O-N 3.47Å; A329-F336 HydrophobicContact CB-CD1 4.08Å; A329-F336 HydrophobicContact CB-CE1 4.37Å; A329-F336 HydrophobicContact CB-CG 4.43Å |
| 330 | S | 98 | Very high | 97.3 | Very high | 3 Ų | 3 | 7.4 Ų | 7.4 | 2% | 0.021 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -65.5 | -33.9 | 178.1 | 77.1 | 0 | 0 | 0 | 0 | 113.4 | P326 L327 M328 L344 F355 | P326-S330 WeakPolarHBondContact O-CB 3.49Å; P326-S330 PolarHBondContact O-N 3.49Å; P326-S330 PolarHBondContact O-OG 3.46Å; L327-S330 PolarHBondContact O-N 3.33Å; L327-S330 PolarHBondContact O-OG 3.25Å; M328-S330 VanDerWaalsContact C-N 3.31Å; M328-S330 PolarHBondContact O-N 3.19Å; S330-L344 WeakPolarHBondContact OG-CD1 3.37Å; S330-F355 WeakPolarHBondContact O-CZ 3.1Å |
| 331 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -69.5 | -36.2 | -177 | -72.4 | 166.9 | 0 | 0 | 0 | 112.6 | P41 P42 A43 L46 A256 I290 L327 M328 A329 L349 | P41-L331 WeakPolarHBondContact CB-O 3.32Å; P42-L331 VanDerWaalsContact CD-O 3.24Å; P42-L331 WeakPolarHBondContact CD-O 3.43Å; P42-L331 HydrophobicContact CG-CD2 3.98Å; P42-L331 WeakPolarHBondContact CG-O 3.29Å; A43-L331 WeakPolarHBondContact CA-O 3.43Å; A43-L331 VanDerWaalsContact CB-O 3.32Å; A43-L331 WeakPolarHBondContact CB-O 3.21Å; A43-L331 PolarHBondContact N-O 3.3Å; L46-L331 HydrophobicContact CD1-CD1 4.39Å; A256-L331 HydrophobicContact CB-CD1 4.16Å; I290-L331 HydrophobicContact CD1-CD1 3.88Å; I290-L331 HydrophobicContact CD1-CD2 3.83Å; I290-L331 HydrophobicContact CD1-CG 4.48Å; I290-L331 HydrophobicContact CG1-CD2 4.49Å; L327-L331 HydrophobicContact CD1-CD1 4.23Å; L327-L331 HydrophobicContact CD1-CG 4.39Å; L327-L331 HydrophobicContact CG-CD1 4.11Å; L327-L331 WeakPolarHBondContact O-CG 3.23Å; L327-L331 PolarHBondContact O-N 2.86Å; L327-L331 VanDerWaalsContact O-N 3.11Å; M328-L331 PolarHBondContact O-N 3.42Å; M328-L331 VanDerWaalsContact O-N 3.15Å; A329-L331 VanDerWaalsContact C-N 3.34Å; A329-L331 PolarHBondContact O-N 3.46Å; L331-L349 HydrophobicContact CD2-CD2 3.81Å; L331-L349 HydrophobicContact CG-CD2 4.38Å |
| 332 | I | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.005 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -106.3 | -5.2 | -178.6 | 63.3 | 170.2 | 0 | 0 | 0 | 113.9 | P41 A43 L46 L126 K203 V205 M328 V334 | P41-I332 WeakPolarHBondContact CG-O 3.5Å; A43-I332 HydrophobicContact CB-CG2 4.29Å; L46-I332 HydrophobicContact CB-CG2 3.78Å; L126-I332 HydrophobicContact CD1-CD1 4.36Å; K203-I332 WeakPolarHBondContact CG-O 3.44Å; V205-I332 HydrophobicContact CG2-CD1 3.68Å; M328-I332 PolarHBondContact O-N 3.16Å; I332-V334 HydrophobicContact CD1-CG1 3.78Å; I332-V334 HydrophobicContact CD1-CG2 3.95Å; I332-V334 HydrophobicContact CG1-CB 4.48Å; I332-V334 HydrophobicContact CG1-CG1 3.93Å; I332-V334 HydrophobicContact CG1-CG2 3.89Å |
| 333 | G | 96.8 | Very high | 97.3 | Very high | 12 Ų | 12 | 8.3 Ų | 8.3 | 12% | 0.124 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 36.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K203 A329 | K203-G333 WeakPolarHBondContact CE-O 3.3Å; K203-G333 PolarHBondContact NZ-O 3.04Å; A329-G333 WeakPolarHBondContact O-CA 3.44Å; A329-G333 PolarHBondContact O-N 3.34Å |
| 334 | V | 96.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 7.7 Ų | 7.7 | 1% | 0.012 | 5% | 0.046 | C | C | . | . | P | Polyproline II helix | trans | -95 | 160.1 | 169.7 | -61.6 | 0 | 0 | 0 | 0 | 109.9 | L126 E129 K203 A329 I332 | L126-V334 HydrophobicContact CD1-CG2 3.62Å; E129-V334 HydrophobicContact CB-CB 4.04Å; E129-V334 HydrophobicContact CB-CG2 4.31Å; E129-V334 WeakPolarHBondContact O-CB 3.34Å; E129-V334 WeakPolarHBondContact O-CG1 3.35Å; K203-V334 HydrophobicContact CB-CG1 3.74Å; K203-V334 HydrophobicContact CD-CG1 3.91Å; K203-V334 HydrophobicContact CG-CG1 3.82Å; A329-V334 HydrophobicContact CB-CG2 3.94Å; A329-V334 PolarHBondContact O-N 3.47Å; I332-V334 HydrophobicContact CD1-CG1 3.78Å; I332-V334 HydrophobicContact CD1-CG2 3.95Å; I332-V334 HydrophobicContact CG1-CB 4.48Å; I332-V334 HydrophobicContact CG1-CG1 3.93Å; I332-V334 HydrophobicContact CG1-CG2 3.89Å |
| 335 | P | 96.5 | Very high | 97.2 | Very high | 17 Ų | 17 | 8.7 Ų | 8.7 | 11% | 0.11 | 5% | 0.052 | C | C | . | . | P | Polyproline II helix | trans | -53.1 | 147.5 | 170 | -28.1 | 36.2 | 0 | 0 | 0 | 113 | P34 Q35 F36 E129 | P34-P335 HydrophobicContact CB-CB 3.72Å; P34-P335 HydrophobicContact CB-CG 4.13Å; Q35-P335 VanDerWaalsContact O-CA 3.23Å; Q35-P335 WeakPolarHBondContact O-CA 3.41Å; F36-P335 HydrophobicContact CB-CG 4.15Å; E129-P335 HydrophobicContact CG-CB 4.19Å; E129-P335 WeakPolarHBondContact OE2-CB 3.09Å; E129-P335 WeakPolarHBondContact OE2-CD 3.43Å; E129-P335 WeakPolarHBondContact OE2-CG 3.31Å |
| 336 | F | 96.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 0% | 0.004 | 6% | 0.06 | C | C | . | . | P | Polyproline II helix | trans | -70 | 134.5 | 171.9 | -69.2 | -92 | 0 | 0 | 0 | 109 | Q35 P326 A329 L338 T362 N363 Q366 | Q35-F336 PolarHBondContact O-N 3.01Å; P326-F336 HydrophobicContact CB-CD1 3.47Å; P326-F336 VanDerWaalsContact CB-CD1 3.47Å; P326-F336 HydrophobicContact CB-CE1 3.45Å; P326-F336 VanDerWaalsContact CB-CE1 3.45Å; P326-F336 WeakPolarHBondContact O-CE1 3.44Å; A329-F336 HydrophobicContact CB-CD1 4.08Å; A329-F336 HydrophobicContact CB-CE1 4.37Å; A329-F336 HydrophobicContact CB-CG 4.43Å; F336-L338 PolarHBondContact O-N 3.14Å; F336-T362 HydrophobicContact CD2-CG2 3.6Å; F336-T362 HydrophobicContact CE2-CG2 3.56Å; F336-N363 HydrophobicContact CD1-CB 4.25Å; F336-N363 HydrophobicContact CE1-CB 3.93Å; F336-N363 HydrophobicContact CE2-CB 4.45Å; F336-N363 HydrophobicContact CZ-CB 4.04Å; F336-Q366 HydrophobicContact CB-CB 4.28Å; F336-Q366 HydrophobicContact CB-CG 4.02Å |
| 337 | P | 95.2 | Very high | 97 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | P | Polyproline II helix | trans | -53.5 | 135.9 | -178 | -28.4 | 35 | 0 | 0 | 0 | 112 | A103 D124 A325 N339 S340 | A103-P337 WeakPolarHBondContact O-CB 3.48Å; D124-P337 VanDerWaalsContact OD2-CA 3.29Å; D124-P337 WeakPolarHBondContact OD2-CA 3.4Å; A325-P337 HydrophobicContact CB-CG 4.45Å; P337-N339 VanDerWaalsContact C-N 3.26Å; P337-N339 PolarHBondContact O-N 3.03Å; P337-N339 VanDerWaalsContact O-N 3.11Å; P337-S340 WeakPolarHBondContact O-CB 3.28Å; P337-S340 PolarHBondContact O-N 3.27Å |
| 338 | L | 94.3 | Very high | 97 | Very high | 31 Ų | 31 | 11.3 Ų | 11.3 | 16% | 0.162 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -40.1 | -164.5 | -74.6 | 178 | 0 | 0 | 0 | 114.3 | M32 P34 D124 F336 Q366 Q370 | M32-L338 HydrophobicContact CB-CD2 4.02Å; M32-L338 HydrophobicContact CE-CB 4.03Å; P34-L338 HydrophobicContact CB-CD2 4.14Å; P34-L338 HydrophobicContact CG-CD2 3.84Å; P34-L338 HydrophobicContact CG-CG 4.48Å; D124-L338 HydrophobicContact CB-CB 3.99Å; D124-L338 HydrophobicContact CB-CD1 4.04Å; D124-L338 HydrophobicContact CB-CG 4.02Å; D124-L338 WeakPolarHBondContact OD2-CG 3.35Å; D124-L338 PolarHBondContact OD2-N 3.29Å; F336-L338 PolarHBondContact O-N 3.14Å; L338-Q366 PolarHBondContact O-NE2 3.27Å; L338-Q370 WeakPolarHBondContact O-CG 3.31Å; L338-Q370 PolarHBondContact O-NE2 3.01Å |
| 339 | N | 94.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 11.3 Ų | 11.3 | 3% | 0.027 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 8.2 | -177.7 | -73.2 | -73.1 | 0 | 0 | 0 | 113.4 | L28 V29 F105 P337 V341 | L28-N339 HydrophobicContact CD2-CB 3.83Å; V29-N339 PolarHBondContact N-OD1 2.87Å; V29-N339 PolarHBondContact O-ND2 3.43Å; V29-N339 VanDerWaalsContact O-ND2 3.14Å; V29-N339 PolarHBondContact O-OD1 3.45Å; V29-N339 VanDerWaalsContact O-OD1 3.07Å; F105-N339 WeakPolarHBondContact CB-O 3.22Å; F105-N339 HydrophobicContact CD1-CB 4.18Å; P337-N339 VanDerWaalsContact C-N 3.26Å; P337-N339 PolarHBondContact O-N 3.03Å; P337-N339 VanDerWaalsContact O-N 3.11Å; N339-V341 PolarHBondContact O-N 3.47Å |
| 340 | S | 96.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.007 | 9% | 0.094 | C | C | . | . | trans | -60.2 | 127.6 | 179.5 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | G104 P337 G342 I367 Q370 | G104-S340 CarbonylContact O-C 3.6Å; G104-S340 WeakPolarHBondContact O-CA 3.18Å; P337-S340 WeakPolarHBondContact O-CB 3.28Å; P337-S340 PolarHBondContact O-N 3.27Å; S340-G342 PolarHBondContact OG-N 3.13Å; S340-I367 WeakPolarHBondContact O-CG1 3.43Å; S340-Q370 PolarHBondContact O-NE2 2.94Å | ||
| 341 | V | 96.9 | Very high | 96.8 | Very high | 36 Ų | 36 | 17.4 Ų | 17.4 | 22% | 0.218 | 11% | 0.105 | C | C | . | . | trans | -101.3 | 4.4 | 169.5 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | G104 Y106 A322 N339 L429 | G104-V341 WeakPolarHBondContact O-CG2 3.16Å; G104-V341 PolarHBondContact O-N 3.31Å; Y106-V341 HydrophobicContact CD2-CG2 4.03Å; Y106-V341 HydrophobicContact CE2-CG2 4.11Å; A322-V341 HydrophobicContact CB-CG2 4.3Å; N339-V341 PolarHBondContact O-N 3.47Å; V341-L429 HydrophobicContact CB-CD2 3.73Å; V341-L429 HydrophobicContact CG1-CD2 3.75Å | ||
| 342 | G | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -70.5 | 142.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G104 A322 D323 S340 N363 | G104-G342 PolarHBondContact O-N 2.91Å; A322-G342 WeakPolarHBondContact O-CA 3.32Å; D323-G342 WeakPolarHBondContact OD1-CA 3.16Å; S340-G342 PolarHBondContact OG-N 3.13Å; G342-N363 PolarHBondContact O-ND2 3.39Å; G342-N363 PolarHBondContact O-OD1 2.7Å | ||
| 343 | I | 98.2 | Very high | 96.6 | Very high | 51 Ų | 51 | 22.8 Ų | 22.8 | 26% | 0.262 | 14% | 0.144 | S | C | . | . | trans | -97.8 | 123.8 | 175.5 | -52.4 | -178.7 | 0 | 0 | 0 | 107.9 | D323 P345 M360 E422 I425 | D323-I343 WeakPolarHBondContact CB-O 3.24Å; D323-I343 PolarHBondContact OD1-N 3.44Å; I343-P345 WeakPolarHBondContact O-CD 3.3Å; I343-P345 VanDerWaalsContact O-N 3.08Å; I343-M360 HydrophobicContact CG2-CE 4.01Å; I343-M360 HydrophobicContact CG2-SD 4.39Å; I343-E422 HydrophobicContact CG2-CG 4.47Å; I343-I425 HydrophobicContact CD1-CG2 4.17Å; I343-I425 HydrophobicContact CG1-CG2 3.92Å; I343-I425 HydrophobicContact CG2-CD1 4.36Å | ||
| 344 | L | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | trans | -56.1 | 114.9 | -179.7 | 175.8 | 65 | 0 | 0 | 0 | 110.8 | P326 S330 V346 L349 S359 M360 N363 | P326-L344 HydrophobicContact CB-CB 4.34Å; P326-L344 HydrophobicContact CB-CD1 4.48Å; P326-L344 WeakPolarHBondContact O-CD1 3.29Å; S330-L344 WeakPolarHBondContact OG-CD1 3.37Å; L344-V346 VanDerWaalsContact C-N 3.26Å; L344-V346 HydrophobicContact CD2-CG1 3.95Å; L344-V346 HydrophobicContact CG-CG1 4.01Å; L344-V346 PolarHBondContact O-N 2.99Å; L344-L349 HydrophobicContact CD1-CD1 4.26Å; L344-L349 HydrophobicContact CD2-CD1 4.16Å; L344-L349 HydrophobicContact CG-CD1 4.39Å; L344-S359 VanDerWaalsContact CD2-CB 3.43Å; L344-M360 HydrophobicContact CB-CE 4.35Å; L344-M360 HydrophobicContact CB-SD 4.27Å; L344-M360 WeakPolarHBondContact O-CE 3.3Å; L344-N363 HydrophobicContact CB-CB 4.35Å; L344-N363 PolarHBondContact N-OD1 3.02Å | ||
| 345 | P | 97.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 25.5 Ų | 25.5 | 14% | 0.136 | 16% | 0.155 | C | C | . | . | trans | -80.7 | 75.9 | -177.7 | 34.4 | -36.8 | 0 | 0 | 0 | 110 | V319 D323 L327 I343 G347 Y348 | V319-P345 HydrophobicContact CG1-CB 3.98Å; V319-P345 HydrophobicContact CG1-CG 4.24Å; D323-P345 HydrophobicContact CB-CG 4.48Å; D323-P345 WeakPolarHBondContact O-CD 3.48Å; L327-P345 HydrophobicContact CB-CG 3.95Å; L327-P345 HydrophobicContact CD1-CG 4.35Å; L327-P345 HydrophobicContact CD2-CG 4.19Å; L327-P345 HydrophobicContact CG-CG 4.39Å; I343-P345 WeakPolarHBondContact O-CD 3.3Å; I343-P345 VanDerWaalsContact O-N 3.08Å; P345-G347 PolarHBondContact O-N 3.23Å; P345-Y348 HydrophobicContact CB-CD2 3.98Å; P345-Y348 HydrophobicContact CG-CD2 4.25Å; P345-Y348 PolarHBondContact O-N 2.8Å | ||
| 346 | V | 96.9 | Very high | 96.8 | Very high | 26 Ų | 26 | 26.5 Ų | 26.5 | 16% | 0.158 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -54.9 | -20 | -175.7 | -67.6 | 0 | 0 | 0 | 0 | 113.9 | L344 Y348 L349 K356 M360 V418 | L344-V346 VanDerWaalsContact C-N 3.26Å; L344-V346 HydrophobicContact CD2-CG1 3.95Å; L344-V346 HydrophobicContact CG-CG1 4.01Å; L344-V346 PolarHBondContact O-N 2.99Å; V346-Y348 PolarHBondContact O-N 3.48Å; V346-L349 PolarHBondContact O-N 3.07Å; V346-K356 HydrophobicContact CG1-CB 4.35Å; V346-M360 HydrophobicContact CG1-CB 4.35Å; V346-M360 HydrophobicContact CG1-CE 3.92Å; V346-M360 HydrophobicContact CG2-CE 4.5Å; V346-V418 HydrophobicContact CG2-CG1 3.94Å |
| 347 | G | 95.2 | Very high | 96.9 | Very high | 25 Ų | 25 | 26.5 Ų | 26.5 | 26% | 0.258 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -53.1 | -40.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K291 R317 P345 L349 | K291-G347 WeakPolarHBondContact CD-O 3.35Å; K291-G347 VanDerWaalsContact CE-O 3.22Å; K291-G347 WeakPolarHBondContact CE-O 3.23Å; R317-G347 PolarHBondContact NH1-O 3.28Å; P345-G347 PolarHBondContact O-N 3.23Å; G347-L349 VanDerWaalsContact C-N 3.31Å; G347-L349 PolarHBondContact O-N 2.92Å |
| 348 | Y | 97.7 | Very high | 97 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -73.2 | -21.7 | -178.1 | -81 | -90.6 | 0 | 0 | 0 | 113.6 | S82 W83 F283 T285 I290 K291 R317 V319 P345 V346 | S82-Y348 VanDerWaalsContact CB-CE1 3.43Å; W83-Y348 PolarHBondContact O-OH 3.44Å; F283-Y348 HydrophobicContact CD1-CE1 4.04Å; F283-Y348 AromaticContact CD1-CZ 3.74Å; F283-Y348 WeakPolarHBondContact CD1-OH 3.35Å; F283-Y348 HydrophobicContact CE1-CD1 4.17Å; F283-Y348 AromaticContact CE1-CE1 3.58Å; F283-Y348 HydrophobicContact CE1-CE1 3.58Å; F283-Y348 HydrophobicContact CE1-CE2 4.08Å; F283-Y348 AromaticContact CE1-CZ 3.51Å; T285-Y348 HydrophobicContact CG2-CD1 3.35Å; T285-Y348 HydrophobicContact CG2-CE1 3.62Å; T285-Y348 HydrophobicContact CG2-CG 4.4Å; I290-Y348 CarbonylContact C-O 3.45Å; I290-Y348 WeakPolarHBondContact CA-O 3.43Å; K291-Y348 PolarHBondContact N-O 3.3Å; R317-Y348 HydrophobicContact CB-CE2 3.65Å; R317-Y348 PolarHBondContact O-OH 2.97Å; V319-Y348 HydrophobicContact CG1-CD2 4.38Å; V319-Y348 HydrophobicContact CG1-CE2 3.68Å; P345-Y348 HydrophobicContact CB-CD2 3.98Å; P345-Y348 HydrophobicContact CG-CD2 4.25Å; P345-Y348 PolarHBondContact O-N 2.8Å; V346-Y348 PolarHBondContact O-N 3.48Å |
| 349 | L | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | B | Isolated β-bridge | trans | -78.9 | 125.3 | -173.8 | -63.6 | 177.2 | 0 | 0 | 0 | 112.4 | G289 K291 L327 L331 L344 V346 G347 F355 K356 | G289-L349 CarbonylContact O-C 3.57Å; G289-L349 WeakPolarHBondContact O-CA 3.45Å; K291-L349 WeakPolarHBondContact CE-O 3.42Å; K291-L349 WeakPolarHBondContact CG-O 3.42Å; L327-L349 HydrophobicContact CD1-CD2 3.79Å; L327-L349 HydrophobicContact CD1-CG 4.33Å; L331-L349 HydrophobicContact CD2-CD2 3.81Å; L331-L349 HydrophobicContact CG-CD2 4.38Å; L344-L349 HydrophobicContact CD1-CD1 4.26Å; L344-L349 HydrophobicContact CD2-CD1 4.16Å; L344-L349 HydrophobicContact CG-CD1 4.39Å; V346-L349 PolarHBondContact O-N 3.07Å; G347-L349 VanDerWaalsContact C-N 3.31Å; G347-L349 PolarHBondContact O-N 2.92Å; L349-F355 HydrophobicContact CD1-CE1 4.19Å; L349-K356 HydrophobicContact CB-CG 4.39Å; L349-K356 HydrophobicContact CD1-CG 4.46Å; L349-K356 WeakPolarHBondContact O-CE 3.35Å; L349-K356 PolarHBondContact O-NZ 3.34Å |
| 350 | N | 96.9 | Very high | 97.4 | Very high | 83 Ų | 83 | 26 Ų | 26 | 44% | 0.444 | 15% | 0.154 | S | C | . | . | trans | -98 | 74.7 | 167.8 | -167.7 | 18.5 | 0 | 0 | 0 | 110.3 | G289 I290 K291 | G289-N350 PolarHBondContact O-N 3.06Å; I290-N350 VanDerWaalsContact C-CB 3.41Å; I290-N350 WeakPolarHBondContact O-CB 3.12Å; K291-N350 HydrophobicContact CB-CB 4.5Å; K291-N350 HydrophobicContact CG-CB 3.95Å | ||
| 351 | N | 96 | Very high | 97.5 | Very high | 49 Ų | 49 | 26.6 Ų | 26.6 | 26% | 0.262 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -146.8 | 173.9 | 179.9 | -150.8 | -31 | 0 | 0 | 0 | 110.1 | F355 K356 | N351-F355 HydrophobicContact CB-CB 4.12Å; N351-F355 HydrophobicContact CB-CD1 3.67Å; N351-F355 HydrophobicContact CB-CE1 4.38Å; N351-F355 HydrophobicContact CB-CG 4.03Å; N351-F355 WeakPolarHBondContact ND2-CD1 3.12Å; N351-F355 VanDerWaalsContact ND2-CG 3.27Å; N351-F355 WeakPolarHBondContact ND2-CG 3.22Å; N351-K356 VanDerWaalsContact O-CE 3.29Å; N351-K356 WeakPolarHBondContact O-CE 3.28Å |
| 352 | T | 96.9 | Very high | 97.5 | Very high | 83 Ų | 83 | 25.2 Ų | 25.2 | 51% | 0.509 | 15% | 0.149 | S | C | . | . | trans | -57.2 | 153.9 | 179.2 | 64.3 | 0 | 0 | 0 | 0 | 112.3 | L354 F355 K356 | T352-L354 PolarHBondContact O-N 3.41Å; T352-F355 PolarHBondContact O-N 3.12Å; T352-F355 WeakPolarHBondContact OG1-CB 3.4Å; T352-F355 PolarHBondContact OG1-N 3.42Å; T352-F355 VanDerWaalsContact OG1-N 3.12Å; T352-K356 PolarHBondContact O-N 3.46Å | ||
| 353 | G | 97.1 | Very high | 97.6 | Very high | 31 Ų | 31 | 25.2 Ų | 25.2 | 32% | 0.32 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -56.9 | -40.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F355 K356 A357 F414 | G353-F355 PolarHBondContact O-N 3.29Å; G353-K356 PolarHBondContact O-N 2.85Å; G353-A357 WeakPolarHBondContact O-CB 3.47Å; G353-A357 PolarHBondContact O-N 2.93Å; G353-F414 VanDerWaalsContact C-CG 3.46Å |
| 354 | L | 97.8 | Very high | 97.6 | Very high | 65 Ų | 65 | 22.9 Ų | 22.9 | 34% | 0.34 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -58.2 | -47.5 | 174.9 | 179.4 | 62.8 | 0 | 0 | 0 | 112.4 | L39 T352 K356 A357 E358 I409 F414 | L39-L354 HydrophobicContact CD1-CG 4.19Å; T352-L354 PolarHBondContact O-N 3.41Å; L354-K356 VanDerWaalsContact C-N 3.31Å; L354-K356 PolarHBondContact O-N 3.24Å; L354-A357 PolarHBondContact O-N 2.81Å; L354-E358 HydrophobicContact CD1-CG 4.03Å; L354-E358 WeakPolarHBondContact O-CB 3.4Å; L354-E358 PolarHBondContact O-N 3.47Å; L354-I409 HydrophobicContact CD1-CG2 3.84Å; L354-F414 HydrophobicContact CB-CE1 3.82Å; L354-F414 HydrophobicContact CB-CE2 4.46Å; L354-F414 HydrophobicContact CB-CZ 3.77Å; L354-F414 HydrophobicContact CD1-CE1 3.72Å; L354-F414 HydrophobicContact CD1-CZ 4.25Å; L354-F414 HydrophobicContact CG-CE1 4.39Å |
| 355 | F | 97.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 2% | 0.022 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 178.5 | -179.3 | -88.9 | 0 | 0 | 0 | 112.3 | L39 P40 S330 L349 N351 T352 G353 S359 | L39-F355 HydrophobicContact CB-CD2 3.95Å; L39-F355 HydrophobicContact CB-CE2 4.37Å; L39-F355 HydrophobicContact CD1-CB 4.25Å; L39-F355 HydrophobicContact CD1-CD2 4.18Å; P40-F355 WeakPolarHBondContact O-CE2 3.42Å; S330-F355 WeakPolarHBondContact O-CZ 3.1Å; L349-F355 HydrophobicContact CD1-CE1 4.19Å; N351-F355 HydrophobicContact CB-CB 4.12Å; N351-F355 HydrophobicContact CB-CD1 3.67Å; N351-F355 HydrophobicContact CB-CE1 4.38Å; N351-F355 HydrophobicContact CB-CG 4.03Å; N351-F355 WeakPolarHBondContact ND2-CD1 3.12Å; N351-F355 VanDerWaalsContact ND2-CG 3.27Å; N351-F355 WeakPolarHBondContact ND2-CG 3.22Å; T352-F355 PolarHBondContact O-N 3.12Å; T352-F355 WeakPolarHBondContact OG1-CB 3.4Å; T352-F355 PolarHBondContact OG1-N 3.42Å; T352-F355 VanDerWaalsContact OG1-N 3.12Å; G353-F355 PolarHBondContact O-N 3.29Å; F355-S359 VanDerWaalsContact O-CB 3.26Å; F355-S359 WeakPolarHBondContact O-CB 3.38Å; F355-S359 PolarHBondContact O-N 2.92Å; F355-S359 PolarHBondContact O-OG 3.41Å |
| 356 | K | 98.1 | Very high | 97.5 | Very high | 39 Ų | 39 | 22.7 Ų | 22.7 | 17% | 0.17 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.1 | -45.2 | 178.3 | -67.9 | 174.4 | -178.5 | 179.1 | 0 | 111.7 | V346 L349 N351 T352 G353 L354 S359 M360 | V346-K356 HydrophobicContact CG1-CB 4.35Å; L349-K356 HydrophobicContact CB-CG 4.39Å; L349-K356 HydrophobicContact CD1-CG 4.46Å; L349-K356 WeakPolarHBondContact O-CE 3.35Å; L349-K356 PolarHBondContact O-NZ 3.34Å; N351-K356 VanDerWaalsContact O-CE 3.29Å; N351-K356 WeakPolarHBondContact O-CE 3.28Å; T352-K356 PolarHBondContact O-N 3.46Å; G353-K356 PolarHBondContact O-N 2.85Å; L354-K356 VanDerWaalsContact C-N 3.31Å; L354-K356 PolarHBondContact O-N 3.24Å; K356-S359 PolarHBondContact O-N 3.47Å; K356-M360 VanDerWaalsContact O-CB 3.28Å; K356-M360 WeakPolarHBondContact O-CB 3.49Å; K356-M360 PolarHBondContact O-N 3.29Å |
| 357 | A | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.2 | -46.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G353 L354 M360 F361 I409 F414 V417 | G353-A357 WeakPolarHBondContact O-CB 3.47Å; G353-A357 PolarHBondContact O-N 2.93Å; L354-A357 PolarHBondContact O-N 2.81Å; A357-M360 PolarHBondContact O-N 3.43Å; A357-F361 VanDerWaalsContact O-CB 3.29Å; A357-F361 WeakPolarHBondContact O-CB 3.43Å; A357-F361 PolarHBondContact O-N 2.96Å; A357-I409 HydrophobicContact CB-CG1 4.46Å; A357-F414 HydrophobicContact CB-CB 4.07Å; A357-F414 HydrophobicContact CB-CD1 3.68Å; A357-F414 HydrophobicContact CB-CG 4.29Å; A357-V417 HydrophobicContact CB-CB 4.03Å; A357-V417 HydrophobicContact CB-CG1 3.91Å |
| 358 | E | 98.1 | Very high | 97.6 | Very high | 25 Ų | 25 | 20.3 Ų | 20.3 | 12% | 0.117 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65 | -41 | 176.6 | -77.8 | -69.9 | 169.9 | 0 | 0 | 111.9 | T37 L39 L354 F361 T362 R406 | T37-E358 HydrophobicContact CG2-CB 4.03Å; L39-E358 HydrophobicContact CD1-CB 3.82Å; L39-E358 HydrophobicContact CD1-CG 3.93Å; L354-E358 HydrophobicContact CD1-CG 4.03Å; L354-E358 WeakPolarHBondContact O-CB 3.4Å; L354-E358 PolarHBondContact O-N 3.47Å; E358-F361 PolarHBondContact O-N 3.41Å; E358-T362 PolarHBondContact O-N 3.5Å; E358-T362 PolarHBondContact O-OG1 2.96Å; E358-R406 VanDerWaalsContact CD-NH1 3.25Å; E358-R406 IonicContact OE1-NH1 3.2Å; E358-R406 PolarHBondContact OE1-NH1 3.24Å; E358-R406 IonicContact OE2-CZ 3.05Å; E358-R406 IonicContact OE2-NH1 3.89Å; E358-R406 PolarHBondContact OE2-NH1 2.92Å; E358-R406 IonicContact OE2-NH2 3.76Å |
| 359 | S | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68 | -40.3 | 178 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | T37 L344 F355 K356 T362 N363 | T37-S359 WeakPolarHBondContact CG2-OG 3.32Å; T37-S359 WeakPolarHBondContact OG1-CA 3.42Å; T37-S359 PolarHBondContact OG1-OG 3.41Å; L344-S359 VanDerWaalsContact CD2-CB 3.43Å; F355-S359 VanDerWaalsContact O-CB 3.26Å; F355-S359 WeakPolarHBondContact O-CB 3.38Å; F355-S359 PolarHBondContact O-N 2.92Å; F355-S359 PolarHBondContact O-OG 3.41Å; K356-S359 PolarHBondContact O-N 3.47Å; S359-T362 PolarHBondContact O-N 3.3Å; S359-N363 WeakPolarHBondContact O-CB 3.31Å; S359-N363 PolarHBondContact O-N 2.92Å |
| 360 | M | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.4 | -39.1 | 174.5 | -176.6 | 60.1 | 93 | 0 | 0 | 111.3 | I343 L344 V346 K356 A357 N363 A364 V418 C421 E422 I425 | I343-M360 HydrophobicContact CG2-CE 4.01Å; I343-M360 HydrophobicContact CG2-SD 4.39Å; L344-M360 HydrophobicContact CB-CE 4.35Å; L344-M360 HydrophobicContact CB-SD 4.27Å; L344-M360 WeakPolarHBondContact O-CE 3.3Å; V346-M360 HydrophobicContact CG1-CB 4.35Å; V346-M360 HydrophobicContact CG1-CE 3.92Å; V346-M360 HydrophobicContact CG2-CE 4.5Å; K356-M360 VanDerWaalsContact O-CB 3.28Å; K356-M360 WeakPolarHBondContact O-CB 3.49Å; K356-M360 PolarHBondContact O-N 3.29Å; A357-M360 PolarHBondContact O-N 3.43Å; M360-N363 PolarHBondContact O-N 2.6Å; M360-A364 WeakPolarHBondContact O-CB 3.43Å; M360-A364 PolarHBondContact O-N 2.89Å; M360-V418 HydrophobicContact CB-CG2 4.36Å; M360-V418 HydrophobicContact CE-CG1 4.07Å; M360-V418 HydrophobicContact CG-CG1 4.4Å; M360-C421 HydrophobicContact CG-CB 3.56Å; M360-E422 HydrophobicContact CE-CG 3.82Å; M360-E422 HydrophobicContact SD-CG 4.47Å; M360-I425 HydrophobicContact SD-CD1 3.98Å |
| 361 | F | 98.4 | Very high | 97.4 | Very high | 14 Ų | 14 | 18.2 Ų | 18.2 | 6% | 0.061 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.7 | -46.4 | 173.2 | -178.9 | -86.6 | 0 | 0 | 0 | 111.6 | A357 E358 N363 A364 V365 L402 A405 R406 I409 | A357-F361 VanDerWaalsContact O-CB 3.29Å; A357-F361 WeakPolarHBondContact O-CB 3.43Å; A357-F361 PolarHBondContact O-N 2.96Å; E358-F361 PolarHBondContact O-N 3.41Å; F361-N363 PolarHBondContact O-N 2.83Å; F361-A364 PolarHBondContact O-N 2.85Å; F361-V365 HydrophobicContact CD1-CG2 3.96Å; F361-V365 HydrophobicContact CE1-CG2 3.44Å; F361-V365 VanDerWaalsContact CE1-CG2 3.44Å; F361-V365 HydrophobicContact CE2-CG2 4.47Å; F361-V365 HydrophobicContact CZ-CG2 3.77Å; F361-V365 WeakPolarHBondContact O-CG2 3.38Å; F361-V365 PolarHBondContact O-N 3.42Å; F361-L402 HydrophobicContact CE2-CD2 3.79Å; F361-L402 HydrophobicContact CZ-CD2 3.79Å; F361-A405 HydrophobicContact CD2-CB 3.72Å; F361-A405 HydrophobicContact CE2-CB 3.77Å; F361-R406 VanDerWaalsContact CD1-CZ 3.4Å; F361-R406 VanDerWaalsContact CD1-NH2 3.32Å; F361-R406 HydrophobicContact CE2-CG 4.21Å; F361-R406 HydrophobicContact CZ-CG 4.09Å; F361-I409 HydrophobicContact CB-CD1 4.42Å |
| 362 | T | 97.9 | Very high | 97.4 | Very high | 7 Ų | 7 | 18.7 Ų | 18.7 | 4% | 0.043 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.4 | -44.6 | 176.5 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | Q35 F336 E358 S359 A364 V365 Q366 | Q35-T362 HydrophobicContact CB-CG2 3.69Å; F336-T362 HydrophobicContact CD2-CG2 3.6Å; F336-T362 HydrophobicContact CE2-CG2 3.56Å; E358-T362 PolarHBondContact O-N 3.5Å; E358-T362 PolarHBondContact O-OG1 2.96Å; S359-T362 PolarHBondContact O-N 3.3Å; T362-A364 VanDerWaalsContact C-N 3.34Å; T362-A364 PolarHBondContact O-N 3.23Å; T362-V365 PolarHBondContact O-N 2.88Å; T362-Q366 PolarHBondContact O-N 3.11Å |
| 363 | N | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.4 | -44 | 175.7 | 176.2 | -144.4 | 0 | 0 | 0 | 111.6 | F336 G342 L344 S359 M360 F361 V365 Q366 I367 | F336-N363 HydrophobicContact CD1-CB 4.25Å; F336-N363 HydrophobicContact CE1-CB 3.93Å; F336-N363 HydrophobicContact CE2-CB 4.45Å; F336-N363 HydrophobicContact CZ-CB 4.04Å; G342-N363 PolarHBondContact O-ND2 3.39Å; G342-N363 PolarHBondContact O-OD1 2.7Å; L344-N363 HydrophobicContact CB-CB 4.35Å; L344-N363 PolarHBondContact N-OD1 3.02Å; S359-N363 WeakPolarHBondContact O-CB 3.31Å; S359-N363 PolarHBondContact O-N 2.92Å; M360-N363 PolarHBondContact O-N 2.6Å; F361-N363 PolarHBondContact O-N 2.83Å; N363-V365 PolarHBondContact O-N 3.4Å; N363-Q366 PolarHBondContact O-N 3.26Å; N363-I367 PolarHBondContact O-N 3.27Å; N363-I367 VanDerWaalsContact O-N 3.15Å |
| 364 | A | 98.2 | Very high | 97.2 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.008 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M360 F361 T362 L368 C421 L424 I425 | M360-A364 WeakPolarHBondContact O-CB 3.43Å; M360-A364 PolarHBondContact O-N 2.89Å; F361-A364 PolarHBondContact O-N 2.85Å; T362-A364 VanDerWaalsContact C-N 3.34Å; T362-A364 PolarHBondContact O-N 3.23Å; A364-L368 VanDerWaalsContact O-CB 3.24Å; A364-L368 WeakPolarHBondContact O-CB 3.5Å; A364-L368 PolarHBondContact O-N 3.42Å; A364-C421 HydrophobicContact CB-CB 3.9Å; A364-L424 HydrophobicContact CB-CD2 4.19Å; A364-I425 HydrophobicContact CB-CD1 3.91Å; A364-I425 HydrophobicContact CB-CG1 3.68Å |
| 365 | V | 97.6 | Very high | 97.1 | Very high | 18 Ų | 18 | 14.4 Ų | 14.4 | 11% | 0.109 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -65 | -43.6 | 175 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | Q35 F361 T362 N363 I367 L368 E369 L402 | Q35-V365 HydrophobicContact CG-CG1 3.95Å; F361-V365 HydrophobicContact CD1-CG2 3.96Å; F361-V365 HydrophobicContact CE1-CG2 3.44Å; F361-V365 VanDerWaalsContact CE1-CG2 3.44Å; F361-V365 HydrophobicContact CE2-CG2 4.47Å; F361-V365 HydrophobicContact CZ-CG2 3.77Å; F361-V365 WeakPolarHBondContact O-CG2 3.38Å; F361-V365 PolarHBondContact O-N 3.42Å; T362-V365 PolarHBondContact O-N 2.88Å; N363-V365 PolarHBondContact O-N 3.4Å; V365-I367 VanDerWaalsContact C-N 3.34Å; V365-I367 PolarHBondContact O-N 2.75Å; V365-L368 PolarHBondContact O-N 3.47Å; V365-L368 VanDerWaalsContact O-N 3.15Å; V365-E369 HydrophobicContact CG1-CG 4.36Å; V365-E369 WeakPolarHBondContact O-CG 3.14Å; V365-E369 PolarHBondContact O-N 2.86Å; V365-L402 HydrophobicContact CG2-CD2 3.9Å |
| 366 | Q | 96.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.3 | -45 | 178.4 | -174.2 | 60.8 | 52.5 | 0 | 0 | 112 | Q35 F336 L338 T362 N363 E369 Q370 | Q35-Q366 HydrophobicContact CB-CB 4.4Å; Q35-Q366 HydrophobicContact CG-CB 4.45Å; F336-Q366 HydrophobicContact CB-CB 4.28Å; F336-Q366 HydrophobicContact CB-CG 4.02Å; L338-Q366 PolarHBondContact O-NE2 3.27Å; T362-Q366 PolarHBondContact O-N 3.11Å; N363-Q366 PolarHBondContact O-N 3.26Å; Q366-E369 PolarHBondContact O-N 2.88Å; Q366-Q370 PolarHBondContact O-N 3.28Å |
| 367 | I | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -68 | -38.5 | 176.5 | -66.6 | 174.1 | 0 | 0 | 0 | 111.1 | S340 N363 V365 E369 Q370 F371 I425 A428 L429 | S340-I367 WeakPolarHBondContact O-CG1 3.43Å; N363-I367 PolarHBondContact O-N 3.27Å; N363-I367 VanDerWaalsContact O-N 3.15Å; V365-I367 VanDerWaalsContact C-N 3.34Å; V365-I367 PolarHBondContact O-N 2.75Å; I367-E369 VanDerWaalsContact C-N 3.3Å; I367-E369 PolarHBondContact O-N 3.08Å; I367-Q370 WeakPolarHBondContact O-CB 3.4Å; I367-Q370 PolarHBondContact O-N 3.21Å; I367-F371 PolarHBondContact O-N 3.12Å; I367-I425 HydrophobicContact CD1-CB 4.47Å; I367-I425 HydrophobicContact CD1-CD1 4.35Å; I367-I425 HydrophobicContact CD1-CG1 4.07Å; I367-I425 HydrophobicContact CD1-CG2 3.6Å; I367-I425 HydrophobicContact CG2-CG2 4.45Å; I367-A428 HydrophobicContact CG2-CB 3.94Å; I367-L429 HydrophobicContact CG2-CD2 3.69Å; I367-L429 HydrophobicContact CG2-CG 3.96Å |
| 368 | L | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.9 | -34.8 | 176.6 | 179.8 | 64.5 | 0 | 0 | 0 | 112.2 | A364 V365 F371 K372 L393 Q398 L402 L424 A428 | A364-L368 VanDerWaalsContact O-CB 3.24Å; A364-L368 WeakPolarHBondContact O-CB 3.5Å; A364-L368 PolarHBondContact O-N 3.42Å; V365-L368 PolarHBondContact O-N 3.47Å; V365-L368 VanDerWaalsContact O-N 3.15Å; L368-F371 HydrophobicContact CD1-CD1 3.86Å; L368-F371 WeakPolarHBondContact O-CB 2.96Å; L368-F371 PolarHBondContact O-N 3.14Å; L368-K372 HydrophobicContact CG-CD 4.43Å; L368-K372 WeakPolarHBondContact O-CG 2.97Å; L368-K372 PolarHBondContact O-N 2.95Å; L368-L393 HydrophobicContact CD1-CD2 3.97Å; L368-Q398 HydrophobicContact CD1-CG 4.03Å; L368-L402 HydrophobicContact CD2-CD1 3.87Å; L368-L402 HydrophobicContact CD2-CD2 4.29Å; L368-L402 HydrophobicContact CD2-CG 4.3Å; L368-L424 HydrophobicContact CD1-CD1 4.39Å; L368-L424 HydrophobicContact CD2-CD2 4.37Å; L368-A428 HydrophobicContact CD1-CB 4.49Å |
| 369 | E | 95.6 | Very high | 96.1 | Very high | 41 Ų | 41 | 24.9 Ų | 24.9 | 19% | 0.192 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65 | -37.9 | 175.2 | -70.2 | -55.7 | 124 | 0 | 0 | 111.9 | M32 V365 Q366 I367 F371 K372 V373 | M32-E369 HydrophobicContact CG-CB 4.4Å; V365-E369 HydrophobicContact CG1-CG 4.36Å; V365-E369 WeakPolarHBondContact O-CG 3.14Å; V365-E369 PolarHBondContact O-N 2.86Å; Q366-E369 PolarHBondContact O-N 2.88Å; I367-E369 VanDerWaalsContact C-N 3.3Å; I367-E369 PolarHBondContact O-N 3.08Å; E369-F371 VanDerWaalsContact C-N 3.33Å; E369-F371 PolarHBondContact O-N 2.77Å; E369-K372 PolarHBondContact O-N 2.92Å; E369-K372 WeakPolarHBondContact OE1-CD 3.12Å; E369-K372 IonicContact OE1-NZ 2.72Å; E369-K372 PolarHBondContact OE1-NZ 2.84Å; E369-V373 WeakPolarHBondContact O-CB 3.19Å; E369-V373 WeakPolarHBondContact O-CG2 3.14Å; E369-V373 PolarHBondContact O-N 3.22Å |
| 370 | Q | 95.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56 | -49.5 | 170.8 | -67.9 | 170.4 | 48.3 | 0 | 0 | 111 | M32 L338 S340 Q366 I367 K372 V373 K374 L432 | M32-Q370 HydrophobicContact CE-CG 4.03Å; M32-Q370 WeakPolarHBondContact SD-CA 3.45Å; M32-Q370 HydrophobicContact SD-CB 3.81Å; M32-Q370 HydrophobicContact SD-CG 3.13Å; M32-Q370 WeakPolarHBondContact SD-CG 3.22Å; L338-Q370 WeakPolarHBondContact O-CG 3.31Å; L338-Q370 PolarHBondContact O-NE2 3.01Å; S340-Q370 PolarHBondContact O-NE2 2.94Å; Q366-Q370 PolarHBondContact O-N 3.28Å; I367-Q370 WeakPolarHBondContact O-CB 3.4Å; I367-Q370 PolarHBondContact O-N 3.21Å; Q370-K372 PolarHBondContact O-N 3.16Å; Q370-V373 PolarHBondContact O-N 3.18Å; Q370-K374 VanDerWaalsContact O-CB 3.31Å; Q370-K374 WeakPolarHBondContact O-CB 3.47Å; Q370-K374 PolarHBondContact O-N 2.65Å; Q370-L432 HydrophobicContact CB-CD1 4.3Å; Q370-L432 HydrophobicContact CB-CD2 4.23Å |
| 371 | F | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 178.5 | 166.8 | -99.2 | 0 | 0 | 0 | 112.3 | I367 L368 E369 K374 M375 F390 L393 A428 G431 Y435 | I367-F371 PolarHBondContact O-N 3.12Å; L368-F371 HydrophobicContact CD1-CD1 3.86Å; L368-F371 WeakPolarHBondContact O-CB 2.96Å; L368-F371 PolarHBondContact O-N 3.14Å; E369-F371 VanDerWaalsContact C-N 3.33Å; E369-F371 PolarHBondContact O-N 2.77Å; F371-K374 PolarHBondContact O-N 3.41Å; F371-M375 HydrophobicContact CD1-CE 4.24Å; F371-M375 HydrophobicContact CE1-CE 3.27Å; F371-M375 HydrophobicContact CE2-CE 3.95Å; F371-M375 HydrophobicContact CZ-CE 3.09Å; F371-M375 VanDerWaalsContact O-CB 3.3Å; F371-M375 WeakPolarHBondContact O-CB 3.41Å; F371-M375 PolarHBondContact O-N 3.35Å; F371-F390 HydrophobicContact CE2-CB 4.29Å; F371-F390 HydrophobicContact CE2-CD1 4.09Å; F371-F390 HydrophobicContact CE2-CG 4.49Å; F371-F390 HydrophobicContact CZ-CB 4.41Å; F371-F390 HydrophobicContact CZ-CD1 4.23Å; F371-L393 HydrophobicContact CD1-CD2 4Å; F371-L393 HydrophobicContact CE1-CB 4.36Å; F371-L393 HydrophobicContact CE1-CD2 3.75Å; F371-L393 HydrophobicContact CE1-CG 4.04Å; F371-L393 HydrophobicContact CG-CD2 4.46Å; F371-L393 HydrophobicContact CZ-CB 4.08Å; F371-L393 HydrophobicContact CZ-CD2 4.02Å; F371-L393 HydrophobicContact CZ-CG 4.26Å; F371-A428 HydrophobicContact CB-CB 4.31Å; F371-G431 VanDerWaalsContact CE2-CA 3.49Å; F371-Y435 HydrophobicContact CD2-CD2 4.17Å; F371-Y435 HydrophobicContact CD2-CE2 4.14Å; F371-Y435 AromaticContact CE2-CD2 3.94Å; F371-Y435 HydrophobicContact CE2-CD2 3.94Å; F371-Y435 AromaticContact CE2-CE2 3.49Å; F371-Y435 HydrophobicContact CE2-CE2 3.49Å; F371-Y435 VanDerWaalsContact CE2-CE2 3.49Å; F371-Y435 HydrophobicContact CZ-CE2 4.04Å |
| 372 | K | 95.8 | Very high | 95.1 | Very high | 59 Ų | 59 | 34.3 Ų | 34.3 | 26% | 0.257 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.8 | -45.9 | -179.3 | -74 | 174.9 | -176 | 166.1 | 0 | 112.6 | L368 E369 Q370 M375 T376 | L368-K372 HydrophobicContact CG-CD 4.43Å; L368-K372 WeakPolarHBondContact O-CG 2.97Å; L368-K372 PolarHBondContact O-N 2.95Å; E369-K372 PolarHBondContact O-N 2.92Å; E369-K372 WeakPolarHBondContact OE1-CD 3.12Å; E369-K372 IonicContact OE1-NZ 2.72Å; E369-K372 PolarHBondContact OE1-NZ 2.84Å; Q370-K372 PolarHBondContact O-N 3.16Å; K372-M375 PolarHBondContact O-N 2.89Å; K372-T376 WeakPolarHBondContact O-CB 3.5Å; K372-T376 PolarHBondContact O-N 3.38Å; K372-T376 PolarHBondContact O-OG1 3.49Å |
| 373 | V | 95.5 | Very high | 94.7 | Very high | 27 Ų | 27 | 36 Ų | 36 | 16% | 0.164 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.5 | -46.4 | 179.2 | 171.6 | 0 | 0 | 0 | 0 | 109.7 | V29 H30 M32 E369 Q370 M375 T376 Q377 | V29-V373 HydrophobicContact CG1-CB 3.88Å; V29-V373 HydrophobicContact CG1-CG1 3.51Å; H30-V373 WeakPolarHBondContact O-CG1 3.22Å; M32-V373 HydrophobicContact CG-CB 4.26Å; M32-V373 HydrophobicContact CG-CG2 3.79Å; E369-V373 WeakPolarHBondContact O-CB 3.19Å; E369-V373 WeakPolarHBondContact O-CG2 3.14Å; E369-V373 PolarHBondContact O-N 3.22Å; Q370-V373 PolarHBondContact O-N 3.18Å; V373-M375 PolarHBondContact O-N 3.08Å; V373-T376 PolarHBondContact O-N 3.13Å; V373-Q377 HydrophobicContact CG1-CG 4.41Å; V373-Q377 WeakPolarHBondContact O-CG 3.38Å; V373-Q377 PolarHBondContact O-N 2.87Å |
| 374 | K | 94.6 | Very high | 94.4 | Very high | 45 Ų | 45 | 41.7 Ų | 41.7 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 178.8 | -170.8 | 64.4 | 172.2 | -171.2 | 0 | 112.8 | V29 Q370 F371 T376 K378 L432 | V29-K374 HydrophobicContact CG1-CB 4.45Å; V29-K374 HydrophobicContact CG2-CB 4.19Å; V29-K374 HydrophobicContact CG2-CD 4.24Å; Q370-K374 VanDerWaalsContact O-CB 3.31Å; Q370-K374 WeakPolarHBondContact O-CB 3.47Å; Q370-K374 PolarHBondContact O-N 2.65Å; F371-K374 PolarHBondContact O-N 3.41Å; K374-T376 VanDerWaalsContact C-N 3.32Å; K374-T376 PolarHBondContact O-N 3.26Å; K374-K378 WeakPolarHBondContact O-CB 2.94Å; K374-K378 PolarHBondContact O-N 3.29Å; K374-L432 HydrophobicContact CB-CD1 3.78Å; K374-L432 HydrophobicContact CG-CD1 4.04Å |
| 375 | M | 95.1 | Very high | 94 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.3 | -48 | 172.8 | 177.6 | -170.9 | -57.2 | 0 | 0 | 110.8 | F371 K372 V373 K378 K379 F387 Y435 | F371-M375 HydrophobicContact CD1-CE 4.24Å; F371-M375 HydrophobicContact CE1-CE 3.27Å; F371-M375 HydrophobicContact CE2-CE 3.95Å; F371-M375 HydrophobicContact CZ-CE 3.09Å; F371-M375 VanDerWaalsContact O-CB 3.3Å; F371-M375 WeakPolarHBondContact O-CB 3.41Å; F371-M375 PolarHBondContact O-N 3.35Å; K372-M375 PolarHBondContact O-N 2.89Å; V373-M375 PolarHBondContact O-N 3.08Å; M375-K378 PolarHBondContact O-N 3.49Å; M375-K379 VanDerWaalsContact O-CB 3.27Å; M375-K379 WeakPolarHBondContact O-CB 3.36Å; M375-K379 PolarHBondContact O-N 3.33Å; M375-F387 HydrophobicContact CG-CZ 4.11Å; M375-Y435 HydrophobicContact CB-CD2 4.01Å; M375-Y435 HydrophobicContact CB-CE2 3.57Å; M375-Y435 HydrophobicContact CE-CE2 3.81Å; M375-Y435 WeakPolarHBondContact CE-OH 3.06Å; M375-Y435 HydrophobicContact CG-CE1 4.25Å; M375-Y435 HydrophobicContact CG-CE2 3.79Å; M375-Y435 WeakPolarHBondContact CG-OH 3.32Å |
| 376 | T | 94.3 | Very high | 93.7 | Very high | 63 Ų | 63 | 51.7 Ų | 51.7 | 39% | 0.387 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.4 | -48.6 | -177.1 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | K372 V373 K374 K378 K379 E380 | K372-T376 WeakPolarHBondContact O-CB 3.5Å; K372-T376 PolarHBondContact O-N 3.38Å; K372-T376 PolarHBondContact O-OG1 3.49Å; V373-T376 PolarHBondContact O-N 3.13Å; K374-T376 VanDerWaalsContact C-N 3.32Å; K374-T376 PolarHBondContact O-N 3.26Å; T376-K378 PolarHBondContact O-N 2.79Å; T376-K379 WeakPolarHBondContact O-CB 3.29Å; T376-K379 PolarHBondContact O-N 3.32Å; T376-K379 VanDerWaalsContact O-N 3.12Å; T376-E380 HydrophobicContact CG2-CG 4.37Å; T376-E380 WeakPolarHBondContact O-CG 3.32Å; T376-E380 PolarHBondContact O-N 3.13Å |
| 377 | Q | 92.1 | Very high | 93.6 | Very high | 81 Ų | 81 | 53.1 Ų | 53.1 | 38% | 0.379 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -52.6 | -45.3 | 173.8 | -73.1 | 174.2 | -5.2 | 0 | 0 | 111.4 | H30 V373 A381 | H30-Q377 PolarHBondContact O-NE2 3.35Å; V373-Q377 HydrophobicContact CG1-CG 4.41Å; V373-Q377 WeakPolarHBondContact O-CG 3.38Å; V373-Q377 PolarHBondContact O-N 2.87Å; Q377-A381 WeakPolarHBondContact O-CB 3.1Å; Q377-A381 PolarHBondContact O-N 3.04Å; Q377-A381 VanDerWaalsContact O-N 3.11Å |
| 378 | K | 92.6 | Very high | 93.4 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.1 | -36.6 | -178.9 | -169.5 | 54.3 | -179.6 | 171.4 | 0 | 112.7 | K374 M375 T376 T382 F387 Y435 Y438 D439 | K374-K378 WeakPolarHBondContact O-CB 2.94Å; K374-K378 PolarHBondContact O-N 3.29Å; M375-K378 PolarHBondContact O-N 3.49Å; T376-K378 PolarHBondContact O-N 2.79Å; K378-T382 WeakPolarHBondContact CE-OG1 3.45Å; K378-T382 VanDerWaalsContact O-CB 3.29Å; K378-T382 WeakPolarHBondContact O-CB 3.46Å; K378-T382 PolarHBondContact O-N 3.07Å; K378-T382 VanDerWaalsContact O-N 3.12Å; K378-T382 PolarHBondContact O-OG1 3.28Å; K378-F387 HydrophobicContact CG-CE2 4.48Å; K378-Y435 HydrophobicContact CB-CD1 4.24Å; K378-Y435 HydrophobicContact CG-CD1 4.33Å; K378-Y438 HydrophobicContact CD-CD1 4.19Å; K378-Y438 HydrophobicContact CD-CG 4.34Å; K378-Y438 HydrophobicContact CG-CD1 4.17Å; K378-Y438 HydrophobicContact CG-CD2 4.29Å; K378-Y438 HydrophobicContact CG-CG 4Å; K378-D439 WeakPolarHBondContact CE-OD1 3.41Å; K378-D439 IonicContact NZ-OD1 3.63Å; K378-D439 PolarHBondContact NZ-OD1 3.03Å; K378-D439 IonicContact NZ-OD2 2.94Å; K378-D439 PolarHBondContact NZ-OD2 3.29Å |
| 379 | K | 93.4 | Very high | 93.3 | Very high | 117 Ų | 117 | 59.6 Ų | 59.6 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 176.2 | -175.1 | 179.6 | 178.9 | -176.3 | 0 | 111.9 | M375 T376 T382 F387 | M375-K379 VanDerWaalsContact O-CB 3.27Å; M375-K379 WeakPolarHBondContact O-CB 3.36Å; M375-K379 PolarHBondContact O-N 3.33Å; T376-K379 WeakPolarHBondContact O-CB 3.29Å; T376-K379 PolarHBondContact O-N 3.32Å; T376-K379 VanDerWaalsContact O-N 3.12Å; K379-T382 VanDerWaalsContact O-O 3.08Å; K379-F387 HydrophobicContact CB-CD1 4.36Å; K379-F387 HydrophobicContact CB-CD2 4.08Å; K379-F387 HydrophobicContact CB-CE1 4.05Å; K379-F387 HydrophobicContact CB-CE2 3.75Å; K379-F387 HydrophobicContact CB-CG 4.37Å; K379-F387 HydrophobicContact CB-CZ 3.72Å; K379-F387 HydrophobicContact CD-CD1 4.44Å; K379-F387 HydrophobicContact CD-CE1 4.05Å; K379-F387 HydrophobicContact CD-CZ 4.42Å; K379-F387 HydrophobicContact CG-CD1 3.92Å; K379-F387 HydrophobicContact CG-CD2 4.41Å; K379-F387 HydrophobicContact CG-CE1 3.86Å; K379-F387 HydrophobicContact CG-CE2 4.36Å; K379-F387 HydrophobicContact CG-CG 4.18Å; K379-F387 HydrophobicContact CG-CZ 4.08Å |
| 380 | E | 92.4 | Very high | 93.3 | Very high | 157 Ų | 157 | 59 Ų | 59 | 73% | 0.734 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -72.4 | -35.3 | 178.8 | -70.9 | 176.9 | 173.9 | 0 | 0 | 112.5 | T376 T382 | T376-E380 HydrophobicContact CG2-CG 4.37Å; T376-E380 WeakPolarHBondContact O-CG 3.32Å; T376-E380 PolarHBondContact O-N 3.13Å; E380-T382 VanDerWaalsContact C-N 3.34Å |
| 381 | A | 89.5 | Confident | 93.3 | Very high | 44 Ų | 44 | 67.1 Ų | 67.1 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -76.9 | -18.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q377 Q502 | Q377-A381 WeakPolarHBondContact O-CB 3.1Å; Q377-A381 PolarHBondContact O-N 3.04Å; Q377-A381 VanDerWaalsContact O-N 3.11Å; A381-Q502 WeakPolarHBondContact O-CA 3.36Å; A381-Q502 WeakPolarHBondContact O-CB 3.28Å |
| 382 | T | 91.1 | Very high | 93.2 | Very high | 10 Ų | 10 | 71.9 Ų | 71.9 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -103.7 | 141.4 | -175.6 | -50.4 | 0 | 0 | 0 | 0 | 110.6 | K378 K379 E380 L386 F387 | K378-T382 WeakPolarHBondContact CE-OG1 3.45Å; K378-T382 VanDerWaalsContact O-CB 3.29Å; K378-T382 WeakPolarHBondContact O-CB 3.46Å; K378-T382 PolarHBondContact O-N 3.07Å; K378-T382 VanDerWaalsContact O-N 3.12Å; K378-T382 PolarHBondContact O-OG1 3.28Å; K379-T382 VanDerWaalsContact O-O 3.08Å; E380-T382 VanDerWaalsContact C-N 3.34Å; T382-L386 HydrophobicContact CG2-CB 3.96Å; T382-F387 HydrophobicContact CG2-CB 4.18Å |
| 383 | L | 90.2 | Very high | 93.2 | Very high | 44 Ų | 44 | 69.1 Ų | 69.1 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | trans | -57.7 | 136.5 | 173.5 | -73 | 170.3 | 0 | 0 | 0 | 110.8 | F385 L386 F387 F498 I501 Q502 | L383-F385 HydrophobicContact CB-CD1 4.08Å; L383-F385 HydrophobicContact CB-CE1 3.7Å; L383-F385 HydrophobicContact CB-CZ 4.2Å; L383-F385 HydrophobicContact CD1-CE1 3.81Å; L383-F385 HydrophobicContact CD1-CZ 3.83Å; L383-F385 HydrophobicContact CG-CE1 4.22Å; L383-F385 PolarHBondContact O-N 3.46Å; L383-L386 HydrophobicContact CB-CD1 4.31Å; L383-L386 HydrophobicContact CB-CG 4.44Å; L383-L386 HydrophobicContact CD1-CD1 4.35Å; L383-L386 PolarHBondContact O-N 2.9Å; L383-F387 PolarHBondContact O-N 3.46Å; L383-F498 HydrophobicContact CD1-CE2 4.4Å; L383-I501 HydrophobicContact CD1-CG2 4.41Å; L383-I501 HydrophobicContact CD2-CG2 3.76Å; L383-I501 HydrophobicContact CG-CG2 4.34Å; L383-Q502 HydrophobicContact CD1-CG 4.44Å; L383-Q502 HydrophobicContact CG-CG 4.05Å | ||
| 384 | P | 89.9 | Confident | 93.2 | Very high | 119 Ų | 119 | 69.7 Ų | 69.7 | 77% | 0.773 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -32.3 | -171 | -30 | 34.8 | 0 | 0 | 0 | 115.3 | ||
| 385 | F | 90.6 | Very high | 93.1 | Very high | 158 Ų | 158 | 72.2 Ų | 72.2 | 69% | 0.693 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -12.2 | 179.8 | 67.5 | -90.1 | 0 | 0 | 0 | 114.1 | L383 | L383-F385 HydrophobicContact CB-CD1 4.08Å; L383-F385 HydrophobicContact CB-CE1 3.7Å; L383-F385 HydrophobicContact CB-CZ 4.2Å; L383-F385 HydrophobicContact CD1-CE1 3.81Å; L383-F385 HydrophobicContact CD1-CZ 3.83Å; L383-F385 HydrophobicContact CG-CE1 4.22Å; L383-F385 PolarHBondContact O-N 3.46Å |
| 386 | L | 91 | Very high | 93 | Very high | 71 Ų | 71 | 75.1 Ų | 75.1 | 37% | 0.372 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -15.4 | 176.2 | -64.1 | 178.7 | 0 | 0 | 0 | 112.6 | T382 L383 T388 Y438 F498 | T382-L386 HydrophobicContact CG2-CB 3.96Å; L383-L386 HydrophobicContact CB-CD1 4.31Å; L383-L386 HydrophobicContact CB-CG 4.44Å; L383-L386 HydrophobicContact CD1-CD1 4.35Å; L383-L386 PolarHBondContact O-N 2.9Å; L386-T388 PolarHBondContact O-N 3.24Å; L386-Y438 PolarHBondContact O-OH 3.04Å; L386-F498 HydrophobicContact CD1-CE2 3.84Å; L386-F498 HydrophobicContact CD1-CZ 4.03Å |
| 387 | F | 94.1 | Very high | 93 | Very high | 32 Ų | 32 | 75.9 Ų | 75.9 | 14% | 0.14 | 40% | 0.398 | C | S | . | . | trans | -72.3 | 125 | 179 | -179.5 | -103.8 | 0 | 0 | 0 | 111.4 | M375 K378 K379 T382 L383 P389 Y435 Y438 | M375-F387 HydrophobicContact CG-CZ 4.11Å; K378-F387 HydrophobicContact CG-CE2 4.48Å; K379-F387 HydrophobicContact CB-CD1 4.36Å; K379-F387 HydrophobicContact CB-CD2 4.08Å; K379-F387 HydrophobicContact CB-CE1 4.05Å; K379-F387 HydrophobicContact CB-CE2 3.75Å; K379-F387 HydrophobicContact CB-CG 4.37Å; K379-F387 HydrophobicContact CB-CZ 3.72Å; K379-F387 HydrophobicContact CD-CD1 4.44Å; K379-F387 HydrophobicContact CD-CE1 4.05Å; K379-F387 HydrophobicContact CD-CZ 4.42Å; K379-F387 HydrophobicContact CG-CD1 3.92Å; K379-F387 HydrophobicContact CG-CD2 4.41Å; K379-F387 HydrophobicContact CG-CE1 3.86Å; K379-F387 HydrophobicContact CG-CE2 4.36Å; K379-F387 HydrophobicContact CG-CG 4.18Å; K379-F387 HydrophobicContact CG-CZ 4.08Å; T382-F387 HydrophobicContact CG2-CB 4.18Å; L383-F387 PolarHBondContact O-N 3.46Å; F387-P389 HydrophobicContact CE1-CB 3.98Å; F387-P389 HydrophobicContact CZ-CB 4.5Å; F387-Y435 AromaticContact CE2-CE1 3.94Å; F387-Y435 HydrophobicContact CE2-CE1 3.94Å; F387-Y435 HydrophobicContact CZ-CE1 4.02Å; F387-Y438 WeakPolarHBondContact CA-OH 3.24Å | ||
| 388 | T | 94.3 | Very high | 93.2 | Very high | 68 Ų | 68 | 72.3 Ų | 72.3 | 42% | 0.417 | 38% | 0.381 | S | S | . | . | trans | -114.9 | 115.5 | 176 | -57.5 | 0 | 0 | 0 | 0 | 108.8 | L386 Y434 Y438 | L386-T388 PolarHBondContact O-N 3.24Å; T388-Y434 PolarHBondContact O-OH 3.25Å; T388-Y438 PolarHBondContact N-OH 3.44Å; T388-Y438 WeakPolarHBondContact O-CE2 3.48Å | ||
| 389 | P | 94.6 | Very high | 93.3 | Very high | 68 Ų | 68 | 75.7 Ų | 75.7 | 44% | 0.442 | 40% | 0.4 | S | S | . | . | trans | -75.5 | 154.6 | 178.6 | 30.1 | -34.2 | 0 | 0 | 0 | 111.9 | F387 K391 Y435 | F387-P389 HydrophobicContact CE1-CB 3.98Å; F387-P389 HydrophobicContact CZ-CB 4.5Å; P389-K391 PolarHBondContact O-N 3.44Å; P389-K391 VanDerWaalsContact O-N 3.12Å; P389-Y435 WeakPolarHBondContact CA-OH 3.37Å | ||
| 390 | F | 96.4 | Very high | 93.5 | Very high | 28 Ų | 28 | 74.6 Ų | 74.6 | 12% | 0.123 | 40% | 0.4 | C | S | . | . | trans | -70.4 | 105.2 | 172.1 | -176.2 | -111.4 | 0 | 0 | 0 | 110.3 | F371 L392 L393 R430 Y434 Y435 | F371-F390 HydrophobicContact CE2-CB 4.29Å; F371-F390 HydrophobicContact CE2-CD1 4.09Å; F371-F390 HydrophobicContact CE2-CG 4.49Å; F371-F390 HydrophobicContact CZ-CB 4.41Å; F371-F390 HydrophobicContact CZ-CD1 4.23Å; F390-L392 VanDerWaalsContact C-N 3.32Å; F390-L392 HydrophobicContact CD1-CB 4.35Å; F390-L392 HydrophobicContact CE1-CB 3.7Å; F390-L392 HydrophobicContact CE2-CD1 4.35Å; F390-L392 HydrophobicContact CZ-CB 3.85Å; F390-L392 HydrophobicContact CZ-CD1 3.84Å; F390-L392 HydrophobicContact CZ-CG 4.22Å; F390-L392 PolarHBondContact O-N 2.95Å; F390-L393 HydrophobicContact CD1-CB 3.9Å; F390-L393 HydrophobicContact CE1-CB 4.09Å; F390-L393 PolarHBondContact O-N 3.46Å; F390-R430 HydrophobicContact CZ-CB 4.08Å; F390-Y434 HydrophobicContact CB-CD1 3.93Å; F390-Y434 HydrophobicContact CB-CE1 4.28Å; F390-Y434 HydrophobicContact CD2-CD1 4.12Å; F390-Y434 HydrophobicContact CD2-CD2 4.42Å; F390-Y434 AromaticContact CD2-CG 3.91Å; F390-Y434 HydrophobicContact CD2-CG 3.91Å; F390-Y434 HydrophobicContact CG-CD1 4.45Å; F390-Y435 HydrophobicContact CB-CE2 4.03Å; F390-Y435 PolarHBondContact N-OH 3.24Å | ||
| 391 | K | 94.6 | Very high | 93.7 | Very high | 173 Ų | 173 | 68.2 Ų | 68.2 | 75% | 0.752 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -66 | -27.2 | -167.7 | -66 | -177.3 | 179 | 178.2 | 0 | 115 | P389 L393 Q397 | P389-K391 PolarHBondContact O-N 3.44Å; P389-K391 VanDerWaalsContact O-N 3.12Å; K391-L393 VanDerWaalsContact C-N 3.3Å; K391-L393 PolarHBondContact O-N 3.46Å; K391-Q397 PolarHBondContact O-OE1 3.32Å |
| 392 | L | 95.4 | Very high | 94 | Very high | 100 Ų | 100 | 67.5 Ų | 67.5 | 52% | 0.524 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -75.6 | -18.8 | -174.9 | -63.8 | 173.8 | 0 | 0 | 0 | 113.1 | F390 Q397 L427 | F390-L392 VanDerWaalsContact C-N 3.32Å; F390-L392 HydrophobicContact CD1-CB 4.35Å; F390-L392 HydrophobicContact CE1-CB 3.7Å; F390-L392 HydrophobicContact CE2-CD1 4.35Å; F390-L392 HydrophobicContact CZ-CB 3.85Å; F390-L392 HydrophobicContact CZ-CD1 3.84Å; F390-L392 HydrophobicContact CZ-CG 4.22Å; F390-L392 PolarHBondContact O-N 2.95Å; L392-Q397 PolarHBondContact O-OE1 3.49Å; L392-L427 HydrophobicContact CB-CD2 4.13Å |
| 393 | L | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -134.2 | 60.7 | -178.2 | -166.7 | 61.6 | 0 | 0 | 0 | 111.2 | L368 F371 F390 K391 Q398 I401 L424 L427 A428 | L368-L393 HydrophobicContact CD1-CD2 3.97Å; F371-L393 HydrophobicContact CD1-CD2 4Å; F371-L393 HydrophobicContact CE1-CB 4.36Å; F371-L393 HydrophobicContact CE1-CD2 3.75Å; F371-L393 HydrophobicContact CE1-CG 4.04Å; F371-L393 HydrophobicContact CG-CD2 4.46Å; F371-L393 HydrophobicContact CZ-CB 4.08Å; F371-L393 HydrophobicContact CZ-CD2 4.02Å; F371-L393 HydrophobicContact CZ-CG 4.26Å; F390-L393 HydrophobicContact CD1-CB 3.9Å; F390-L393 HydrophobicContact CE1-CB 4.09Å; F390-L393 PolarHBondContact O-N 3.46Å; K391-L393 VanDerWaalsContact C-N 3.3Å; K391-L393 PolarHBondContact O-N 3.46Å; L393-Q398 HydrophobicContact CD1-CG 3.8Å; L393-Q398 HydrophobicContact CD2-CG 4.41Å; L393-Q398 HydrophobicContact CG-CG 3.68Å; L393-Q398 PolarHBondContact O-NE2 3.34Å; L393-I401 HydrophobicContact CD1-CD1 4.33Å; L393-L424 HydrophobicContact CD1-CD1 3.85Å; L393-L424 HydrophobicContact CD2-CD1 4.38Å; L393-L427 HydrophobicContact CD1-CB 4.35Å; L393-L427 HydrophobicContact CD1-CD1 4.41Å; L393-L427 HydrophobicContact CD2-CB 4.19Å; L393-A428 HydrophobicContact CD2-CB 4.08Å |
| 394 | S | 94.1 | Very high | 94.7 | Very high | 40 Ų | 40 | 76.8 Ų | 76.8 | 28% | 0.28 | 39% | 0.394 | S | S | . | . | trans | -63.9 | 158.9 | 174.6 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | S396 Q397 Q398 | S394-S396 PolarHBondContact O-N 3.38Å; S394-S396 VanDerWaalsContact O-N 3.13Å; S394-S396 PolarHBondContact OG-OG 3.01Å; S394-Q397 WeakPolarHBondContact O-CB 3.36Å; S394-Q397 PolarHBondContact O-N 3.27Å; S394-Q397 WeakPolarHBondContact OG-CG 3.35Å; S394-Q397 PolarHBondContact OG-N 3.06Å; S394-Q397 PolarHBondContact OG-OE1 3.35Å; S394-Q398 WeakPolarHBondContact O-CG 3.36Å; S394-Q398 PolarHBondContact O-N 3.14Å | ||
| 395 | D | 92.8 | Very high | 95.1 | Very high | 97 Ų | 97 | 71.1 Ų | 71.1 | 52% | 0.519 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -54 | -36.8 | 178.5 | -60 | -26.3 | 0 | 0 | 0 | 112.5 | Q398 L399 | D395-Q398 PolarHBondContact OD1-NE2 2.6Å; D395-L399 WeakPolarHBondContact O-CG 3.37Å; D395-L399 PolarHBondContact O-N 3.46Å; D395-L399 VanDerWaalsContact O-N 3.11Å |
| 396 | S | 93.7 | Very high | 95.4 | Very high | 79 Ų | 79 | 68.1 Ų | 68.1 | 55% | 0.552 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.8 | -42 | 176.4 | 69.3 | 0 | 0 | 0 | 0 | 113 | S394 L399 D400 | S394-S396 PolarHBondContact O-N 3.38Å; S394-S396 VanDerWaalsContact O-N 3.13Å; S394-S396 PolarHBondContact OG-OG 3.01Å; S396-L399 PolarHBondContact O-N 3.35Å; S396-D400 WeakPolarHBondContact O-CB 3.28Å; S396-D400 PolarHBondContact O-N 3.43Å |
| 397 | Q | 95 | Very high | 95.7 | Very high | 79 Ų | 79 | 67.3 Ų | 67.3 | 37% | 0.369 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -69.3 | -40.9 | 177.9 | -74 | 167.1 | -49.5 | 0 | 0 | 111.3 | K391 L392 S394 L399 D400 I401 | K391-Q397 PolarHBondContact O-OE1 3.32Å; L392-Q397 PolarHBondContact O-OE1 3.49Å; S394-Q397 WeakPolarHBondContact O-CB 3.36Å; S394-Q397 PolarHBondContact O-N 3.27Å; S394-Q397 WeakPolarHBondContact OG-CG 3.35Å; S394-Q397 PolarHBondContact OG-N 3.06Å; S394-Q397 PolarHBondContact OG-OE1 3.35Å; Q397-L399 VanDerWaalsContact C-N 3.33Å; Q397-L399 PolarHBondContact O-N 2.86Å; Q397-D400 PolarHBondContact O-N 2.71Å; Q397-I401 WeakPolarHBondContact O-CG1 3.34Å; Q397-I401 PolarHBondContact O-N 2.78Å |
| 398 | Q | 94.9 | Very high | 95.9 | Very high | 6 Ų | 6 | 68.5 Ų | 68.5 | 3% | 0.028 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.3 | -50.7 | 173.7 | -65.6 | 168.6 | 44.3 | 0 | 0 | 110.6 | L368 L393 S394 D395 D400 L402 | L368-Q398 HydrophobicContact CD1-CG 4.03Å; L393-Q398 HydrophobicContact CD1-CG 3.8Å; L393-Q398 HydrophobicContact CD2-CG 4.41Å; L393-Q398 HydrophobicContact CG-CG 3.68Å; L393-Q398 PolarHBondContact O-NE2 3.34Å; S394-Q398 WeakPolarHBondContact O-CG 3.36Å; S394-Q398 PolarHBondContact O-N 3.14Å; D395-Q398 PolarHBondContact OD1-NE2 2.6Å; Q398-D400 VanDerWaalsContact C-N 3.32Å; Q398-D400 PolarHBondContact O-N 3.18Å; Q398-L402 WeakPolarHBondContact O-CB 3.06Å; Q398-L402 VanDerWaalsContact O-CG 3.25Å; Q398-L402 WeakPolarHBondContact O-CG 3.38Å; Q398-L402 PolarHBondContact O-N 3.24Å; Q398-L402 VanDerWaalsContact O-N 3.07Å |
| 399 | L | 95.3 | Very high | 96 | Very high | 99 Ų | 99 | 66 Ų | 66 | 52% | 0.518 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.7 | -33.2 | 179.3 | -70.9 | 172.7 | 0 | 0 | 0 | 113.2 | D395 S396 Q397 R403 | D395-L399 WeakPolarHBondContact O-CG 3.37Å; D395-L399 PolarHBondContact O-N 3.46Å; D395-L399 VanDerWaalsContact O-N 3.11Å; S396-L399 PolarHBondContact O-N 3.35Å; Q397-L399 VanDerWaalsContact C-N 3.33Å; Q397-L399 PolarHBondContact O-N 2.86Å; L399-R403 VanDerWaalsContact O-CB 3.32Å; L399-R403 WeakPolarHBondContact O-CB 3.31Å; L399-R403 VanDerWaalsContact O-CG 3.27Å; L399-R403 WeakPolarHBondContact O-CG 3.48Å; L399-R403 PolarHBondContact O-N 3.46Å; L399-R403 VanDerWaalsContact O-N 3.15Å; L399-R403 PolarHBondContact O-NE 2.77Å |
| 400 | D | 96.6 | Very high | 96.1 | Very high | 94 Ų | 94 | 71.5 Ų | 71.5 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.9 | -49.9 | 177.5 | -172 | 57.7 | 0 | 0 | 0 | 111.5 | S396 Q397 Q398 L402 R403 K404 | S396-D400 WeakPolarHBondContact O-CB 3.28Å; S396-D400 PolarHBondContact O-N 3.43Å; Q397-D400 PolarHBondContact O-N 2.71Å; Q398-D400 VanDerWaalsContact C-N 3.32Å; Q398-D400 PolarHBondContact O-N 3.18Å; D400-L402 PolarHBondContact O-N 3.39Å; D400-R403 PolarHBondContact O-N 3.11Å; D400-K404 WeakPolarHBondContact O-CB 3.4Å; D400-K404 PolarHBondContact O-N 3.25Å |
| 401 | I | 97.1 | Very high | 96.2 | Very high | 23 Ų | 23 | 74.6 Ų | 74.6 | 12% | 0.118 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 178.3 | -66.3 | 168.7 | 0 | 0 | 0 | 110.7 | L393 Q397 R403 K404 A405 L420 L424 | L393-I401 HydrophobicContact CD1-CD1 4.33Å; Q397-I401 WeakPolarHBondContact O-CG1 3.34Å; Q397-I401 PolarHBondContact O-N 2.78Å; I401-R403 PolarHBondContact O-N 2.94Å; I401-K404 PolarHBondContact O-N 3.05Å; I401-A405 WeakPolarHBondContact O-CB 3.41Å; I401-A405 PolarHBondContact O-N 2.97Å; I401-L420 HydrophobicContact CG2-CD1 4.01Å; I401-L420 HydrophobicContact CG2-CD2 4.34Å; I401-L420 HydrophobicContact CG2-CG 3.95Å; I401-L424 HydrophobicContact CD1-CD1 4.2Å; I401-L424 HydrophobicContact CG2-CB 4.08Å; I401-L424 HydrophobicContact CG2-CD1 4.29Å; I401-L424 HydrophobicContact CG2-CD2 3.98Å; I401-L424 HydrophobicContact CG2-CG 4.34Å |
| 402 | L | 97.2 | Very high | 96.3 | Very high | 29 Ų | 29 | 73.5 Ų | 73.5 | 15% | 0.152 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 178.6 | -68.8 | 175.2 | 0 | 0 | 0 | 112.3 | F361 V365 L368 Q398 D400 R406 L424 | F361-L402 HydrophobicContact CE2-CD2 3.79Å; F361-L402 HydrophobicContact CZ-CD2 3.79Å; V365-L402 HydrophobicContact CG2-CD2 3.9Å; L368-L402 HydrophobicContact CD2-CD1 3.87Å; L368-L402 HydrophobicContact CD2-CD2 4.29Å; L368-L402 HydrophobicContact CD2-CG 4.3Å; Q398-L402 WeakPolarHBondContact O-CB 3.06Å; Q398-L402 VanDerWaalsContact O-CG 3.25Å; Q398-L402 WeakPolarHBondContact O-CG 3.38Å; Q398-L402 PolarHBondContact O-N 3.24Å; Q398-L402 VanDerWaalsContact O-N 3.07Å; D400-L402 PolarHBondContact O-N 3.39Å; L402-R406 WeakPolarHBondContact O-CG 3.49Å; L402-R406 PolarHBondContact O-N 2.83Å; L402-L424 HydrophobicContact CD2-CD2 3.96Å |
| 403 | R | 97.3 | Very high | 96.4 | Very high | 160 Ų | 160 | 72.6 Ų | 72.6 | 60% | 0.604 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.1 | -41.8 | 175.9 | -81.9 | -178.6 | -82.2 | 169.9 | -7 | 111.7 | L399 D400 I401 R406 S407 | L399-R403 VanDerWaalsContact O-CB 3.32Å; L399-R403 WeakPolarHBondContact O-CB 3.31Å; L399-R403 VanDerWaalsContact O-CG 3.27Å; L399-R403 WeakPolarHBondContact O-CG 3.48Å; L399-R403 PolarHBondContact O-N 3.46Å; L399-R403 VanDerWaalsContact O-N 3.15Å; L399-R403 PolarHBondContact O-NE 2.77Å; D400-R403 PolarHBondContact O-N 3.11Å; I401-R403 PolarHBondContact O-N 2.94Å; R403-R406 PolarHBondContact O-N 3.07Å; R403-S407 WeakPolarHBondContact O-CB 3.39Å; R403-S407 PolarHBondContact O-N 3.17Å |
| 404 | K | 97.8 | Very high | 96.5 | Very high | 89 Ų | 89 | 74.8 Ų | 74.8 | 39% | 0.387 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 177.5 | -173.8 | 178.6 | 178.7 | -175.2 | 0 | 111.4 | D400 I401 R406 S407 Y408 L420 | D400-K404 WeakPolarHBondContact O-CB 3.4Å; D400-K404 PolarHBondContact O-N 3.25Å; I401-K404 PolarHBondContact O-N 3.05Å; K404-R406 PolarHBondContact O-N 2.64Å; K404-S407 WeakPolarHBondContact O-CB 3.32Å; K404-S407 PolarHBondContact O-N 3.49Å; K404-S407 VanDerWaalsContact O-N 3.11Å; K404-Y408 HydrophobicContact CD-CE2 4.49Å; K404-Y408 VanDerWaalsContact CE-CZ 3.48Å; K404-Y408 WeakPolarHBondContact CE-OH 3.46Å; K404-Y408 HydrophobicContact CG-CE1 4.25Å; K404-Y408 HydrophobicContact CG-CE2 4.15Å; K404-Y408 PolarHBondContact O-N 3.16Å; K404-L420 HydrophobicContact CB-CD2 4.04Å; K404-L420 HydrophobicContact CD-CD2 3.94Å; K404-L420 HydrophobicContact CG-CD2 3.87Å |
| 405 | A | 97.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 79.4 Ų | 79.4 | 1% | 0.008 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F361 I401 S407 Y408 I409 L420 | F361-A405 HydrophobicContact CD2-CB 3.72Å; F361-A405 HydrophobicContact CE2-CB 3.77Å; I401-A405 WeakPolarHBondContact O-CB 3.41Å; I401-A405 PolarHBondContact O-N 2.97Å; A405-S407 VanDerWaalsContact C-N 3.29Å; A405-S407 PolarHBondContact O-N 2.87Å; A405-Y408 PolarHBondContact O-N 3.13Å; A405-I409 WeakPolarHBondContact O-CG1 3.41Å; A405-I409 PolarHBondContact O-N 3.22Å; A405-L420 HydrophobicContact CB-CD2 4.01Å |
| 406 | R | 97.4 | Very high | 96.9 | Very high | 95 Ų | 95 | 79.2 Ų | 79.2 | 36% | 0.358 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.7 | -34.5 | 174.8 | -72.1 | -61.8 | -172.5 | -154.7 | 3.1 | 113.2 | E358 F361 L402 R403 K404 K410 | E358-R406 VanDerWaalsContact CD-NH1 3.25Å; E358-R406 IonicContact OE1-NH1 3.2Å; E358-R406 PolarHBondContact OE1-NH1 3.24Å; E358-R406 IonicContact OE2-CZ 3.05Å; E358-R406 IonicContact OE2-NH1 3.89Å; E358-R406 PolarHBondContact OE2-NH1 2.92Å; E358-R406 IonicContact OE2-NH2 3.76Å; F361-R406 VanDerWaalsContact CD1-CZ 3.4Å; F361-R406 VanDerWaalsContact CD1-NH2 3.32Å; F361-R406 HydrophobicContact CE2-CG 4.21Å; F361-R406 HydrophobicContact CZ-CG 4.09Å; L402-R406 WeakPolarHBondContact O-CG 3.49Å; L402-R406 PolarHBondContact O-N 2.83Å; R403-R406 PolarHBondContact O-N 3.07Å; K404-R406 PolarHBondContact O-N 2.64Å; R406-K410 WeakPolarHBondContact O-CG 3.44Å; R406-K410 PolarHBondContact O-N 3.49Å |
| 407 | S | 97.9 | Very high | 97.1 | Very high | 53 Ų | 53 | 75.4 Ų | 75.4 | 37% | 0.371 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.2 | -41.9 | 174.5 | -168.1 | 0 | 0 | 0 | 0 | 112.1 | R403 K404 A405 K410 Q411 | R403-S407 WeakPolarHBondContact O-CB 3.39Å; R403-S407 PolarHBondContact O-N 3.17Å; K404-S407 WeakPolarHBondContact O-CB 3.32Å; K404-S407 PolarHBondContact O-N 3.49Å; K404-S407 VanDerWaalsContact O-N 3.11Å; A405-S407 VanDerWaalsContact C-N 3.29Å; A405-S407 PolarHBondContact O-N 2.87Å; S407-K410 PolarHBondContact O-N 2.8Å; S407-Q411 WeakPolarHBondContact O-CG 3.24Å; S407-Q411 PolarHBondContact O-N 3.27Å; S407-Q411 VanDerWaalsContact O-N 3.08Å; S407-Q411 PolarHBondContact OG-NE2 2.93Å |
| 408 | Y | 98.1 | Very high | 97.2 | Very high | 57 Ų | 57 | 72.4 Ų | 72.4 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67 | -37.1 | 177.7 | -73.4 | -4.4 | 0 | 0 | 0 | 113 | K404 A405 K410 Q411 E412 K413 E416 V417 L420 | K404-Y408 HydrophobicContact CD-CE2 4.49Å; K404-Y408 VanDerWaalsContact CE-CZ 3.48Å; K404-Y408 WeakPolarHBondContact CE-OH 3.46Å; K404-Y408 HydrophobicContact CG-CE1 4.25Å; K404-Y408 HydrophobicContact CG-CE2 4.15Å; K404-Y408 PolarHBondContact O-N 3.16Å; A405-Y408 PolarHBondContact O-N 3.13Å; Y408-K410 VanDerWaalsContact C-N 3.3Å; Y408-K410 PolarHBondContact O-N 2.96Å; Y408-Q411 CarbonylContact O-C 3.59Å; Y408-Q411 PolarHBondContact O-N 3.33Å; Y408-Q411 VanDerWaalsContact O-N 3.09Å; Y408-E412 PolarHBondContact O-N 2.96Å; Y408-E412 VanDerWaalsContact O-N 3.1Å; Y408-K413 HydrophobicContact CD1-CD 4.33Å; Y408-K413 HydrophobicContact CG-CB 4.42Å; Y408-K413 PolarHBondContact O-N 3.2Å; Y408-E416 HydrophobicContact CD2-CB 3.84Å; Y408-E416 HydrophobicContact CE2-CB 3.97Å; Y408-V417 VanDerWaalsContact CB-CG2 3.43Å; Y408-L420 HydrophobicContact CD2-CD2 4.47Å |
| 409 | I | 96.8 | Very high | 97.4 | Very high | 17 Ų | 17 | 75.6 Ų | 75.6 | 9% | 0.087 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.5 | -45.5 | 171.7 | -68 | 173 | 0 | 0 | 0 | 110.4 | L354 A357 F361 A405 Q411 E412 V417 | L354-I409 HydrophobicContact CD1-CG2 3.84Å; A357-I409 HydrophobicContact CB-CG1 4.46Å; F361-I409 HydrophobicContact CB-CD1 4.42Å; A405-I409 WeakPolarHBondContact O-CG1 3.41Å; A405-I409 PolarHBondContact O-N 3.22Å; I409-Q411 PolarHBondContact O-N 2.95Å; I409-E412 PolarHBondContact O-N 3.29Å; I409-E412 VanDerWaalsContact O-N 3.12Å; I409-V417 HydrophobicContact CD1-CG1 4.16Å; I409-V417 HydrophobicContact CG1-CB 4.37Å; I409-V417 HydrophobicContact CG1-CG1 3.94Å; I409-V417 HydrophobicContact CG1-CG2 3.62Å |
| 410 | K | 96.9 | Very high | 97.5 | Very high | 183 Ų | 183 | 71.5 Ų | 71.5 | 80% | 0.796 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66 | -25.9 | 177.1 | -69.6 | 178.2 | 180 | -176.2 | 0 | 113.7 | R406 S407 Y408 E412 | R406-K410 WeakPolarHBondContact O-CG 3.44Å; R406-K410 PolarHBondContact O-N 3.49Å; S407-K410 PolarHBondContact O-N 2.8Å; Y408-K410 VanDerWaalsContact C-N 3.3Å; Y408-K410 PolarHBondContact O-N 2.96Å; K410-E412 VanDerWaalsContact C-N 3.32Å |
| 411 | Q | 97.6 | Very high | 97.6 | Very high | 92 Ų | 92 | 67.1 Ų | 67.1 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 4.3 | 176.5 | -67.8 | 172.6 | 47.1 | 0 | 0 | 112.7 | S407 Y408 I409 K413 | S407-Q411 WeakPolarHBondContact O-CG 3.24Å; S407-Q411 PolarHBondContact O-N 3.27Å; S407-Q411 VanDerWaalsContact O-N 3.08Å; S407-Q411 PolarHBondContact OG-NE2 2.93Å; Y408-Q411 CarbonylContact O-C 3.59Å; Y408-Q411 PolarHBondContact O-N 3.33Å; Y408-Q411 VanDerWaalsContact O-N 3.09Å; I409-Q411 PolarHBondContact O-N 2.95Å; Q411-K413 HydrophobicContact CB-CD 4.28Å; Q411-K413 HydrophobicContact CB-CG 4.24Å; Q411-K413 PolarHBondContact O-N 3.43Å |
| 412 | E | 97.1 | Very high | 97.6 | Very high | 151 Ų | 151 | 70 Ų | 70 | 71% | 0.706 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 23.6 | -177.2 | -54.6 | -175.8 | 171.3 | 0 | 0 | 114.6 | Y408 I409 K410 F414 | Y408-E412 PolarHBondContact O-N 2.96Å; Y408-E412 VanDerWaalsContact O-N 3.1Å; I409-E412 PolarHBondContact O-N 3.29Å; I409-E412 VanDerWaalsContact O-N 3.12Å; K410-E412 VanDerWaalsContact C-N 3.32Å; E412-F414 VanDerWaalsContact C-N 3.3Å; E412-F414 HydrophobicContact CB-CE2 3.97Å; E412-F414 HydrophobicContact CB-CZ 3.89Å; E412-F414 HydrophobicContact CG-CE2 4.48Å; E412-F414 HydrophobicContact CG-CZ 4.05Å; E412-F414 PolarHBondContact O-N 3.29Å; E412-F414 VanDerWaalsContact O-N 3.11Å |
| 413 | K | 97.8 | Very high | 97.7 | Very high | 81 Ų | 81 | 74 Ų | 74 | 35% | 0.352 | 35% | 0.347 | S | S | . | . | trans | -87 | 65.5 | 176.3 | -72.5 | 179.3 | -179.7 | 164.6 | 0 | 110.9 | Y408 Q411 E416 V417 | Y408-K413 HydrophobicContact CD1-CD 4.33Å; Y408-K413 HydrophobicContact CG-CB 4.42Å; Y408-K413 PolarHBondContact O-N 3.2Å; Q411-K413 HydrophobicContact CB-CD 4.28Å; Q411-K413 HydrophobicContact CB-CG 4.24Å; Q411-K413 PolarHBondContact O-N 3.43Å; K413-E416 VanDerWaalsContact C-OE2 3.22Å; K413-E416 WeakPolarHBondContact CA-OE2 3.02Å; K413-E416 HydrophobicContact CB-CB 4.32Å; K413-E416 WeakPolarHBondContact CB-OE2 3.5Å; K413-V417 VanDerWaalsContact O-CG2 3.31Å; K413-V417 WeakPolarHBondContact O-CG2 3.41Å; K413-V417 PolarHBondContact O-N 2.69Å | ||
| 414 | F | 97.8 | Very high | 97.7 | Very high | 45 Ų | 45 | 66.5 Ų | 66.5 | 20% | 0.197 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.4 | -39.2 | -167.2 | -58.8 | -52.8 | 0 | 0 | 0 | 113.8 | G353 L354 A357 E412 E416 V417 V418 | G353-F414 VanDerWaalsContact C-CG 3.46Å; L354-F414 HydrophobicContact CB-CE1 3.82Å; L354-F414 HydrophobicContact CB-CE2 4.46Å; L354-F414 HydrophobicContact CB-CZ 3.77Å; L354-F414 HydrophobicContact CD1-CE1 3.72Å; L354-F414 HydrophobicContact CD1-CZ 4.25Å; L354-F414 HydrophobicContact CG-CE1 4.39Å; A357-F414 HydrophobicContact CB-CB 4.07Å; A357-F414 HydrophobicContact CB-CD1 3.68Å; A357-F414 HydrophobicContact CB-CG 4.29Å; E412-F414 VanDerWaalsContact C-N 3.3Å; E412-F414 HydrophobicContact CB-CE2 3.97Å; E412-F414 HydrophobicContact CB-CZ 3.89Å; E412-F414 HydrophobicContact CG-CE2 4.48Å; E412-F414 HydrophobicContact CG-CZ 4.05Å; E412-F414 PolarHBondContact O-N 3.29Å; E412-F414 VanDerWaalsContact O-N 3.11Å; F414-E416 VanDerWaalsContact C-N 3.32Å; F414-E416 PolarHBondContact O-N 2.97Å; F414-V417 WeakPolarHBondContact O-CB 3.35Å; F414-V417 PolarHBondContact O-N 3.49Å; F414-V418 WeakPolarHBondContact O-CG2 3.47Å; F414-V418 PolarHBondContact O-N 2.97Å |
| 415 | D | 96.8 | Very high | 97.8 | Very high | 138 Ų | 138 | 62.2 Ų | 62.2 | 74% | 0.738 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.8 | -36.1 | -179.9 | -67.2 | -33.3 | 0 | 0 | 0 | 110.9 | V417 V418 S419 | D415-V417 VanDerWaalsContact C-N 3.33Å; D415-V417 PolarHBondContact O-N 3.41Å; D415-V418 PolarHBondContact O-N 2.87Å; D415-S419 PolarHBondContact O-N 3.18Å |
| 416 | E | 97.8 | Very high | 97.8 | Very high | 92 Ų | 92 | 65.2 Ų | 65.2 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.7 | -32.1 | 173.7 | -62.5 | 88.7 | 156.7 | 0 | 0 | 112.6 | Y408 K413 F414 L420 | Y408-E416 HydrophobicContact CD2-CB 3.84Å; Y408-E416 HydrophobicContact CE2-CB 3.97Å; K413-E416 VanDerWaalsContact C-OE2 3.22Å; K413-E416 WeakPolarHBondContact CA-OE2 3.02Å; K413-E416 HydrophobicContact CB-CB 4.32Å; K413-E416 WeakPolarHBondContact CB-OE2 3.5Å; F414-E416 VanDerWaalsContact C-N 3.32Å; F414-E416 PolarHBondContact O-N 2.97Å; E416-L420 WeakPolarHBondContact O-CB 3.23Å; E416-L420 PolarHBondContact O-N 3.37Å |
| 417 | V | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.8 | -46.4 | 172.5 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | A357 Y408 I409 K413 F414 D415 L420 C421 | A357-V417 HydrophobicContact CB-CB 4.03Å; A357-V417 HydrophobicContact CB-CG1 3.91Å; Y408-V417 VanDerWaalsContact CB-CG2 3.43Å; I409-V417 HydrophobicContact CD1-CG1 4.16Å; I409-V417 HydrophobicContact CG1-CB 4.37Å; I409-V417 HydrophobicContact CG1-CG1 3.94Å; I409-V417 HydrophobicContact CG1-CG2 3.62Å; K413-V417 VanDerWaalsContact O-CG2 3.31Å; K413-V417 WeakPolarHBondContact O-CG2 3.41Å; K413-V417 PolarHBondContact O-N 2.69Å; F414-V417 WeakPolarHBondContact O-CB 3.35Å; F414-V417 PolarHBondContact O-N 3.49Å; D415-V417 VanDerWaalsContact C-N 3.33Å; D415-V417 PolarHBondContact O-N 3.41Å; V417-L420 PolarHBondContact O-N 3.04Å; V417-C421 WeakPolarHBondContact O-CB 3.01Å; V417-C421 PolarHBondContact O-N 3.28Å; V417-C421 PolarHBondContact O-SG 3.4Å |
| 418 | V | 98 | Very high | 97.8 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 10% | 0.097 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.7 | -52.3 | 178.7 | 170.9 | 0 | 0 | 0 | 0 | 109.9 | V346 M360 F414 D415 L420 C421 E422 | V346-V418 HydrophobicContact CG2-CG1 3.94Å; M360-V418 HydrophobicContact CB-CG2 4.36Å; M360-V418 HydrophobicContact CE-CG1 4.07Å; M360-V418 HydrophobicContact CG-CG1 4.4Å; F414-V418 WeakPolarHBondContact O-CG2 3.47Å; F414-V418 PolarHBondContact O-N 2.97Å; D415-V418 PolarHBondContact O-N 2.87Å; V418-L420 PolarHBondContact O-N 2.88Å; V418-C421 PolarHBondContact O-N 3.35Å; V418-C421 VanDerWaalsContact O-N 3.17Å; V418-E422 WeakPolarHBondContact O-CG 3.28Å; V418-E422 PolarHBondContact O-N 3.45Å |
| 419 | S | 97.9 | Very high | 97.8 | Very high | 72 Ų | 72 | 58.7 Ų | 58.7 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 179.8 | -179.6 | 0 | 0 | 0 | 0 | 112.9 | D415 C421 E422 E423 | D415-S419 PolarHBondContact O-N 3.18Å; S419-C421 VanDerWaalsContact C-N 3.34Å; S419-C421 PolarHBondContact O-N 2.9Å; S419-E422 PolarHBondContact O-N 3.48Å; S419-E423 PolarHBondContact O-N 3.14Å; S419-E423 VanDerWaalsContact O-N 3.09Å |
| 420 | L | 98.3 | Very high | 97.8 | Very high | 14 Ų | 14 | 64.6 Ų | 64.6 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.1 | -35.8 | 177.1 | -177.8 | 63.8 | 0 | 0 | 0 | 112.4 | I401 K404 A405 Y408 E416 V417 V418 L424 | I401-L420 HydrophobicContact CG2-CD1 4.01Å; I401-L420 HydrophobicContact CG2-CD2 4.34Å; I401-L420 HydrophobicContact CG2-CG 3.95Å; K404-L420 HydrophobicContact CB-CD2 4.04Å; K404-L420 HydrophobicContact CD-CD2 3.94Å; K404-L420 HydrophobicContact CG-CD2 3.87Å; A405-L420 HydrophobicContact CB-CD2 4.01Å; Y408-L420 HydrophobicContact CD2-CD2 4.47Å; E416-L420 WeakPolarHBondContact O-CB 3.23Å; E416-L420 PolarHBondContact O-N 3.37Å; V417-L420 PolarHBondContact O-N 3.04Å; V418-L420 PolarHBondContact O-N 2.88Å; L420-L424 PolarHBondContact O-N 3.39Å |
| 421 | C | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.1 | -37.1 | 177.3 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | M360 A364 V417 V418 S419 E423 L424 I425 | M360-C421 HydrophobicContact CG-CB 3.56Å; A364-C421 HydrophobicContact CB-CB 3.9Å; V417-C421 WeakPolarHBondContact O-CB 3.01Å; V417-C421 PolarHBondContact O-N 3.28Å; V417-C421 PolarHBondContact O-SG 3.4Å; V418-C421 PolarHBondContact O-N 3.35Å; V418-C421 VanDerWaalsContact O-N 3.17Å; S419-C421 VanDerWaalsContact C-N 3.34Å; S419-C421 PolarHBondContact O-N 2.9Å; C421-E423 VanDerWaalsContact C-N 3.33Å; C421-E423 PolarHBondContact O-N 2.84Å; C421-L424 PolarHBondContact O-N 3.06Å; C421-I425 VanDerWaalsContact O-CG1 3.25Å; C421-I425 WeakPolarHBondContact O-CG1 3.47Å; C421-I425 PolarHBondContact O-N 2.97Å |
| 422 | E | 98.1 | Very high | 97.6 | Very high | 83 Ų | 83 | 52.1 Ų | 52.1 | 39% | 0.388 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 171.7 | -71.9 | 172.9 | 163.3 | 0 | 0 | 111.3 | I343 M360 V418 S419 I425 D426 | I343-E422 HydrophobicContact CG2-CG 4.47Å; M360-E422 HydrophobicContact CE-CG 3.82Å; M360-E422 HydrophobicContact SD-CG 4.47Å; V418-E422 WeakPolarHBondContact O-CG 3.28Å; V418-E422 PolarHBondContact O-N 3.45Å; S419-E422 PolarHBondContact O-N 3.48Å; E422-I425 PolarHBondContact O-N 2.88Å; E422-D426 PolarHBondContact O-N 3.23Å |
| 423 | E | 97.8 | Very high | 97.4 | Very high | 112 Ų | 112 | 48.2 Ų | 48.2 | 52% | 0.523 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 174.1 | -173.6 | -177.1 | 179.1 | 0 | 0 | 111.8 | S419 C421 I425 D426 L427 | S419-E423 PolarHBondContact O-N 3.14Å; S419-E423 VanDerWaalsContact O-N 3.09Å; C421-E423 VanDerWaalsContact C-N 3.33Å; C421-E423 PolarHBondContact O-N 2.84Å; E423-I425 VanDerWaalsContact C-N 3.33Å; E423-I425 PolarHBondContact O-N 3.48Å; E423-D426 PolarHBondContact O-N 3.27Å; E423-L427 HydrophobicContact CG-CD1 4.43Å; E423-L427 WeakPolarHBondContact O-CG 3.34Å; E423-L427 PolarHBondContact O-N 2.81Å |
| 424 | L | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 175.8 | 179.2 | 58.4 | 0 | 0 | 0 | 111.9 | A364 L368 L393 I401 L402 L420 C421 L427 A428 | A364-L424 HydrophobicContact CB-CD2 4.19Å; L368-L424 HydrophobicContact CD1-CD1 4.39Å; L368-L424 HydrophobicContact CD2-CD2 4.37Å; L393-L424 HydrophobicContact CD1-CD1 3.85Å; L393-L424 HydrophobicContact CD2-CD1 4.38Å; I401-L424 HydrophobicContact CD1-CD1 4.2Å; I401-L424 HydrophobicContact CG2-CB 4.08Å; I401-L424 HydrophobicContact CG2-CD1 4.29Å; I401-L424 HydrophobicContact CG2-CD2 3.98Å; I401-L424 HydrophobicContact CG2-CG 4.34Å; L402-L424 HydrophobicContact CD2-CD2 3.96Å; L420-L424 PolarHBondContact O-N 3.39Å; C421-L424 PolarHBondContact O-N 3.06Å; L424-L427 PolarHBondContact O-N 3.21Å; L424-A428 VanDerWaalsContact O-CB 3.26Å; L424-A428 WeakPolarHBondContact O-CB 3.47Å; L424-A428 PolarHBondContact O-N 3.18Å |
| 425 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -47.8 | 177.5 | -70.2 | 164.6 | 0 | 0 | 0 | 110.4 | I343 M360 A364 I367 C421 E422 E423 L427 A428 L429 | I343-I425 HydrophobicContact CD1-CG2 4.17Å; I343-I425 HydrophobicContact CG1-CG2 3.92Å; I343-I425 HydrophobicContact CG2-CD1 4.36Å; M360-I425 HydrophobicContact SD-CD1 3.98Å; A364-I425 HydrophobicContact CB-CD1 3.91Å; A364-I425 HydrophobicContact CB-CG1 3.68Å; I367-I425 HydrophobicContact CD1-CB 4.47Å; I367-I425 HydrophobicContact CD1-CD1 4.35Å; I367-I425 HydrophobicContact CD1-CG1 4.07Å; I367-I425 HydrophobicContact CD1-CG2 3.6Å; I367-I425 HydrophobicContact CG2-CG2 4.45Å; C421-I425 VanDerWaalsContact O-CG1 3.25Å; C421-I425 WeakPolarHBondContact O-CG1 3.47Å; C421-I425 PolarHBondContact O-N 2.97Å; E422-I425 PolarHBondContact O-N 2.88Å; E423-I425 VanDerWaalsContact C-N 3.33Å; E423-I425 PolarHBondContact O-N 3.48Å; I425-L427 VanDerWaalsContact C-N 3.34Å; I425-L427 PolarHBondContact O-N 2.82Å; I425-A428 PolarHBondContact O-N 3.05Å; I425-L429 HydrophobicContact CG2-CD1 3.71Å; I425-L429 HydrophobicContact CG2-CG 4.11Å; I425-L429 WeakPolarHBondContact O-CB 3.15Å; I425-L429 VanDerWaalsContact O-CG 3.31Å; I425-L429 WeakPolarHBondContact O-CG 3.41Å; I425-L429 PolarHBondContact O-N 3.31Å |
| 426 | D | 98 | Very high | 96.9 | Very high | 63 Ų | 63 | 40.6 Ų | 40.6 | 34% | 0.337 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.6 | -45.7 | 176.9 | 172.7 | 73.8 | 0 | 0 | 0 | 111.6 | E422 E423 R430 | E422-D426 PolarHBondContact O-N 3.23Å; E423-D426 PolarHBondContact O-N 3.27Å; D426-R430 VanDerWaalsContact CG-NE 3.31Å; D426-R430 VanDerWaalsContact CG-NH2 3.31Å; D426-R430 WeakPolarHBondContact O-CB 3.29Å; D426-R430 VanDerWaalsContact O-CG 3.26Å; D426-R430 WeakPolarHBondContact O-CG 3.23Å; D426-R430 PolarHBondContact O-N 2.83Å; D426-R430 IonicContact OD1-CZ 3.08Å; D426-R430 VanDerWaalsContact OD1-CZ 3.31Å; D426-R430 IonicContact OD1-NE 3.74Å; D426-R430 PolarHBondContact OD1-NE 3.11Å; D426-R430 IonicContact OD1-NH2 3.31Å; D426-R430 PolarHBondContact OD1-NH2 3.3Å; D426-R430 IonicContact OD2-CZ 2.77Å; D426-R430 IonicContact OD2-NE 2.9Å; D426-R430 PolarHBondContact OD2-NE 2.67Å; D426-R430 IonicContact OD2-NH1 2.91Å; D426-R430 IonicContact OD2-NH2 2.98Å; D426-R430 PolarHBondContact OD2-NH2 2.84Å |
| 427 | L | 98 | Very high | 96.6 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 13% | 0.126 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.6 | -42.6 | 176.4 | -71.3 | 174.1 | 0 | 0 | 0 | 112.5 | L392 L393 E423 L424 I425 G431 | L392-L427 HydrophobicContact CB-CD2 4.13Å; L393-L427 HydrophobicContact CD1-CB 4.35Å; L393-L427 HydrophobicContact CD1-CD1 4.41Å; L393-L427 HydrophobicContact CD2-CB 4.19Å; E423-L427 HydrophobicContact CG-CD1 4.43Å; E423-L427 WeakPolarHBondContact O-CG 3.34Å; E423-L427 PolarHBondContact O-N 2.81Å; L424-L427 PolarHBondContact O-N 3.21Å; I425-L427 VanDerWaalsContact C-N 3.34Å; I425-L427 PolarHBondContact O-N 2.82Å; L427-G431 PolarHBondContact O-N 2.9Å |
| 428 | A | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.5 | -42.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I367 L368 F371 L393 L424 I425 G431 L432 | I367-A428 HydrophobicContact CG2-CB 3.94Å; L368-A428 HydrophobicContact CD1-CB 4.49Å; F371-A428 HydrophobicContact CB-CB 4.31Å; L393-A428 HydrophobicContact CD2-CB 4.08Å; L424-A428 VanDerWaalsContact O-CB 3.26Å; L424-A428 WeakPolarHBondContact O-CB 3.47Å; L424-A428 PolarHBondContact O-N 3.18Å; I425-A428 PolarHBondContact O-N 3.05Å; A428-G431 CarbonylContact O-C 3.37Å; A428-G431 PolarHBondContact O-N 3.46Å; A428-L432 WeakPolarHBondContact O-CB 3.39Å; A428-L432 PolarHBondContact O-N 2.8Å |
| 429 | L | 97.2 | Very high | 96 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 24% | 0.236 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.4 | -40.6 | 176.8 | -69.1 | 176.9 | 0 | 0 | 0 | 112.1 | V341 I367 I425 G431 L432 S433 | V341-L429 HydrophobicContact CB-CD2 3.73Å; V341-L429 HydrophobicContact CG1-CD2 3.75Å; I367-L429 HydrophobicContact CG2-CD2 3.69Å; I367-L429 HydrophobicContact CG2-CG 3.96Å; I425-L429 HydrophobicContact CG2-CD1 3.71Å; I425-L429 HydrophobicContact CG2-CG 4.11Å; I425-L429 WeakPolarHBondContact O-CB 3.15Å; I425-L429 VanDerWaalsContact O-CG 3.31Å; I425-L429 WeakPolarHBondContact O-CG 3.41Å; I425-L429 PolarHBondContact O-N 3.31Å; L429-G431 VanDerWaalsContact C-N 3.33Å; L429-L432 PolarHBondContact O-N 3.11Å; L429-S433 PolarHBondContact O-N 2.62Å |
| 430 | R | 97.2 | Very high | 95.7 | Very high | 140 Ų | 140 | 44.3 Ų | 44.3 | 53% | 0.528 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 172.3 | -71.6 | 174.9 | -167.5 | -165 | 8 | 111.6 | F390 D426 S433 Y434 | F390-R430 HydrophobicContact CZ-CB 4.08Å; D426-R430 VanDerWaalsContact CG-NE 3.31Å; D426-R430 VanDerWaalsContact CG-NH2 3.31Å; D426-R430 WeakPolarHBondContact O-CB 3.29Å; D426-R430 VanDerWaalsContact O-CG 3.26Å; D426-R430 WeakPolarHBondContact O-CG 3.23Å; D426-R430 PolarHBondContact O-N 2.83Å; D426-R430 IonicContact OD1-CZ 3.08Å; D426-R430 VanDerWaalsContact OD1-CZ 3.31Å; D426-R430 IonicContact OD1-NE 3.74Å; D426-R430 PolarHBondContact OD1-NE 3.11Å; D426-R430 IonicContact OD1-NH2 3.31Å; D426-R430 PolarHBondContact OD1-NH2 3.3Å; D426-R430 IonicContact OD2-CZ 2.77Å; D426-R430 IonicContact OD2-NE 2.9Å; D426-R430 PolarHBondContact OD2-NE 2.67Å; D426-R430 IonicContact OD2-NH1 2.91Å; D426-R430 IonicContact OD2-NH2 2.98Å; D426-R430 PolarHBondContact OD2-NH2 2.84Å; R430-S433 PolarHBondContact O-N 3.08Å; R430-Y434 PolarHBondContact O-N 3.26Å |
| 431 | G | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F371 L427 A428 L429 Y434 Y435 | F371-G431 VanDerWaalsContact CE2-CA 3.49Å; L427-G431 PolarHBondContact O-N 2.9Å; A428-G431 CarbonylContact O-C 3.37Å; A428-G431 PolarHBondContact O-N 3.46Å; L429-G431 VanDerWaalsContact C-N 3.33Å; G431-Y434 WeakPolarHBondContact O-CB 3.47Å; G431-Y434 PolarHBondContact O-N 3.1Å; G431-Y435 WeakPolarHBondContact O-CD2 3.5Å; G431-Y435 PolarHBondContact O-N 3.37Å; G431-Y435 VanDerWaalsContact O-N 3.08Å |
| 432 | L | 94.7 | Very high | 95.2 | Very high | 13 Ų | 13 | 53.2 Ų | 53.2 | 7% | 0.068 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.6 | -48.9 | 175.6 | -171.9 | 65.1 | 0 | 0 | 0 | 109.7 | V29 Q370 K374 A428 L429 Y434 Y435 H436 | V29-L432 HydrophobicContact CG2-CD1 4.13Å; Q370-L432 HydrophobicContact CB-CD1 4.3Å; Q370-L432 HydrophobicContact CB-CD2 4.23Å; K374-L432 HydrophobicContact CB-CD1 3.78Å; K374-L432 HydrophobicContact CG-CD1 4.04Å; A428-L432 WeakPolarHBondContact O-CB 3.39Å; A428-L432 PolarHBondContact O-N 2.8Å; L429-L432 PolarHBondContact O-N 3.11Å; L432-Y434 VanDerWaalsContact C-N 3.27Å; L432-Y434 PolarHBondContact O-N 2.84Å; L432-Y435 PolarHBondContact O-N 3.4Å; L432-H436 WeakPolarHBondContact CD1-NE2 3.3Å; L432-H436 PolarHBondContact O-CD2 3.42Å; L432-H436 PolarHBondContact O-N 2.89Å |
| 433 | S | 93.5 | Very high | 95 | Very high | 70 Ų | 70 | 49.3 Ų | 49.3 | 49% | 0.49 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.8 | -41.2 | 174.4 | -173.7 | 0 | 0 | 0 | 0 | 112.5 | L429 R430 Y435 H436 T437 | L429-S433 PolarHBondContact O-N 2.62Å; R430-S433 PolarHBondContact O-N 3.08Å; S433-Y435 PolarHBondContact O-N 3.23Å; S433-H436 PolarHBondContact O-N 3.16Å; S433-T437 WeakPolarHBondContact O-CB 3.49Å; S433-T437 PolarHBondContact O-N 2.8Å; S433-T437 PolarHBondContact O-OG1 3.21Å |
| 434 | Y | 94.9 | Very high | 94.9 | Very high | 73 Ų | 73 | 45 Ų | 45 | 29% | 0.286 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.4 | -45.4 | 174.5 | 173.3 | -98.7 | 0 | 0 | 0 | 112.3 | T388 F390 R430 G431 L432 T437 Y438 | T388-Y434 PolarHBondContact O-OH 3.25Å; F390-Y434 HydrophobicContact CB-CD1 3.93Å; F390-Y434 HydrophobicContact CB-CE1 4.28Å; F390-Y434 HydrophobicContact CD2-CD1 4.12Å; F390-Y434 HydrophobicContact CD2-CD2 4.42Å; F390-Y434 AromaticContact CD2-CG 3.91Å; F390-Y434 HydrophobicContact CD2-CG 3.91Å; F390-Y434 HydrophobicContact CG-CD1 4.45Å; R430-Y434 PolarHBondContact O-N 3.26Å; G431-Y434 WeakPolarHBondContact O-CB 3.47Å; G431-Y434 PolarHBondContact O-N 3.1Å; L432-Y434 VanDerWaalsContact C-N 3.27Å; L432-Y434 PolarHBondContact O-N 2.84Å; Y434-T437 CarbonylContact O-C 3.58Å; Y434-T437 PolarHBondContact O-N 3.26Å; Y434-Y438 HydrophobicContact CD1-CD2 4.37Å; Y434-Y438 AromaticContact CE1-CD2 3.73Å; Y434-Y438 HydrophobicContact CE1-CD2 3.73Å; Y434-Y438 AromaticContact CE1-CE2 3.8Å; Y434-Y438 HydrophobicContact CE1-CE2 3.8Å; Y434-Y438 AromaticContact CZ-CD2 3.93Å; Y434-Y438 AromaticContact CZ-CE2 3.85Å; Y434-Y438 WeakPolarHBondContact O-CA 3.44Å; Y434-Y438 PolarHBondContact O-N 2.66Å; Y434-Y438 WeakPolarHBondContact OH-CE2 3.44Å |
| 435 | Y | 94.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 2% | 0.02 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -77.5 | -29.2 | 180 | -68.8 | -59.7 | 0 | 0 | 0 | 114.3 | F371 M375 K378 F387 P389 F390 G431 L432 S433 T437 Y438 | F371-Y435 HydrophobicContact CD2-CD2 4.17Å; F371-Y435 HydrophobicContact CD2-CE2 4.14Å; F371-Y435 AromaticContact CE2-CD2 3.94Å; F371-Y435 HydrophobicContact CE2-CD2 3.94Å; F371-Y435 AromaticContact CE2-CE2 3.49Å; F371-Y435 HydrophobicContact CE2-CE2 3.49Å; F371-Y435 VanDerWaalsContact CE2-CE2 3.49Å; F371-Y435 HydrophobicContact CZ-CE2 4.04Å; M375-Y435 HydrophobicContact CB-CD2 4.01Å; M375-Y435 HydrophobicContact CB-CE2 3.57Å; M375-Y435 HydrophobicContact CE-CE2 3.81Å; M375-Y435 WeakPolarHBondContact CE-OH 3.06Å; M375-Y435 HydrophobicContact CG-CE1 4.25Å; M375-Y435 HydrophobicContact CG-CE2 3.79Å; M375-Y435 WeakPolarHBondContact CG-OH 3.32Å; K378-Y435 HydrophobicContact CB-CD1 4.24Å; K378-Y435 HydrophobicContact CG-CD1 4.33Å; F387-Y435 AromaticContact CE2-CE1 3.94Å; F387-Y435 HydrophobicContact CE2-CE1 3.94Å; F387-Y435 HydrophobicContact CZ-CE1 4.02Å; P389-Y435 WeakPolarHBondContact CA-OH 3.37Å; F390-Y435 HydrophobicContact CB-CE2 4.03Å; F390-Y435 PolarHBondContact N-OH 3.24Å; G431-Y435 WeakPolarHBondContact O-CD2 3.5Å; G431-Y435 PolarHBondContact O-N 3.37Å; G431-Y435 VanDerWaalsContact O-N 3.08Å; L432-Y435 PolarHBondContact O-N 3.4Å; S433-Y435 PolarHBondContact O-N 3.23Å; Y435-T437 VanDerWaalsContact C-N 3.32Å; Y435-Y438 AromaticContact CD1-CD2 3.99Å; Y435-Y438 HydrophobicContact CD1-CD2 3.99Å; Y435-Y438 HydrophobicContact CE1-CD2 4.33Å; Y435-Y438 HydrophobicContact CE1-CE2 4.45Å |
| 436 | H | 90.6 | Very high | 94.6 | Very high | 26 Ų | 26 | 50.9 Ų | 50.9 | 12% | 0.12 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.4 | -36.7 | 171.1 | -81.8 | -108 | 0 | 0 | 0 | 111.6 | S26 P27 L432 S433 | S26-H436 PolarHBondContact O-CE1 3.22Å; S26-H436 PolarHBondContact O-ND1 3.07Å; P27-H436 PolarHBondContact O-CE1 3.48Å; P27-H436 VanDerWaalsContact O-CE1 3.3Å; L432-H436 WeakPolarHBondContact CD1-NE2 3.3Å; L432-H436 PolarHBondContact O-CD2 3.42Å; L432-H436 PolarHBondContact O-N 2.89Å; S433-H436 PolarHBondContact O-N 3.16Å |
| 437 | T | 92 | Very high | 94.5 | Very high | 55 Ų | 55 | 48.6 Ų | 48.6 | 34% | 0.337 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 13.3 | -178.7 | 61.4 | 0 | 0 | 0 | 0 | 114 | S433 Y434 Y435 D439 R440 | S433-T437 WeakPolarHBondContact O-CB 3.49Å; S433-T437 PolarHBondContact O-N 2.8Å; S433-T437 PolarHBondContact O-OG1 3.21Å; Y434-T437 CarbonylContact O-C 3.58Å; Y434-T437 PolarHBondContact O-N 3.26Å; Y435-T437 VanDerWaalsContact C-N 3.32Å; T437-D439 VanDerWaalsContact C-N 3.31Å; T437-D439 PolarHBondContact O-N 2.89Å; T437-R440 WeakPolarHBondContact O-CB 3.43Å; T437-R440 PolarHBondContact O-N 3.19Å |
| 438 | Y | 92.5 | Very high | 94.3 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 18% | 0.176 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -40.7 | -170.8 | -166.8 | -83.6 | 0 | 0 | 0 | 113.3 | K378 L386 F387 T388 Y434 Y435 | K378-Y438 HydrophobicContact CD-CD1 4.19Å; K378-Y438 HydrophobicContact CD-CG 4.34Å; K378-Y438 HydrophobicContact CG-CD1 4.17Å; K378-Y438 HydrophobicContact CG-CD2 4.29Å; K378-Y438 HydrophobicContact CG-CG 4Å; L386-Y438 PolarHBondContact O-OH 3.04Å; F387-Y438 WeakPolarHBondContact CA-OH 3.24Å; T388-Y438 PolarHBondContact N-OH 3.44Å; T388-Y438 WeakPolarHBondContact O-CE2 3.48Å; Y434-Y438 HydrophobicContact CD1-CD2 4.37Å; Y434-Y438 AromaticContact CE1-CD2 3.73Å; Y434-Y438 HydrophobicContact CE1-CD2 3.73Å; Y434-Y438 AromaticContact CE1-CE2 3.8Å; Y434-Y438 HydrophobicContact CE1-CE2 3.8Å; Y434-Y438 AromaticContact CZ-CD2 3.93Å; Y434-Y438 AromaticContact CZ-CE2 3.85Å; Y434-Y438 WeakPolarHBondContact O-CA 3.44Å; Y434-Y438 PolarHBondContact O-N 2.66Å; Y434-Y438 WeakPolarHBondContact OH-CE2 3.44Å; Y435-Y438 AromaticContact CD1-CD2 3.99Å; Y435-Y438 HydrophobicContact CD1-CD2 3.99Å; Y435-Y438 HydrophobicContact CE1-CD2 4.33Å; Y435-Y438 HydrophobicContact CE1-CE2 4.45Å |
| 439 | D | 91.2 | Very high | 94.2 | Very high | 43 Ų | 43 | 52.7 Ų | 52.7 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4.7 | -177.6 | -63 | -42.9 | 0 | 0 | 0 | 113.7 | K378 T437 L441 F442 L443 Y508 | K378-D439 WeakPolarHBondContact CE-OD1 3.41Å; K378-D439 IonicContact NZ-OD1 3.63Å; K378-D439 PolarHBondContact NZ-OD1 3.03Å; K378-D439 IonicContact NZ-OD2 2.94Å; K378-D439 PolarHBondContact NZ-OD2 3.29Å; T437-D439 VanDerWaalsContact C-N 3.31Å; T437-D439 PolarHBondContact O-N 2.89Å; D439-L441 VanDerWaalsContact C-N 3.32Å; D439-L441 PolarHBondContact O-N 3.26Å; D439-F442 PolarHBondContact O-N 3.17Å; D439-F442 VanDerWaalsContact O-N 3.13Å; D439-L443 PolarHBondContact O-N 3.46Å; D439-Y508 HydrophobicContact CB-CE2 4.13Å; D439-Y508 VanDerWaalsContact CB-OH 3.25Å; D439-Y508 WeakPolarHBondContact CB-OH 2.95Å; D439-Y508 PolarHBondContact OD2-OH 2.75Å |
| 440 | R | 92.7 | Very high | 94.2 | Very high | 114 Ų | 114 | 50.6 Ų | 50.6 | 43% | 0.43 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.4 | -43.5 | -174 | -175.6 | 175.4 | 176.7 | -172.9 | -0.4 | 112.2 | I22 Y23 T437 G444 | I22-R440 HydrophobicContact CG2-CG 3.68Å; Y23-R440 VanDerWaalsContact CE1-CZ 3.44Å; T437-R440 WeakPolarHBondContact O-CB 3.43Å; T437-R440 PolarHBondContact O-N 3.19Å; R440-G444 WeakPolarHBondContact O-CA 3.39Å; R440-G444 PolarHBondContact O-N 3.44Å |
| 441 | L | 92.9 | Very high | 94 | Very high | 132 Ų | 132 | 47.6 Ų | 47.6 | 69% | 0.691 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -67.7 | -44.8 | 178.1 | -178.6 | 64.1 | 0 | 0 | 0 | 111.4 | D439 G444 I445 | D439-L441 VanDerWaalsContact C-N 3.32Å; D439-L441 PolarHBondContact O-N 3.26Å; L441-G444 PolarHBondContact O-N 3.3Å; L441-I445 HydrophobicContact CD1-CD1 4.04Å; L441-I445 HydrophobicContact CD1-CG1 4.28Å; L441-I445 HydrophobicContact CG-CD1 3.95Å; L441-I445 VanDerWaalsContact O-CG1 3.27Å; L441-I445 WeakPolarHBondContact O-CG1 3.47Å; L441-I445 PolarHBondContact O-N 2.93Å |
| 442 | F | 93 | Very high | 94 | Very high | 71 Ų | 71 | 50.9 Ų | 50.9 | 31% | 0.311 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.8 | -51.3 | 179.9 | 168.1 | -105.7 | 0 | 0 | 0 | 111.6 | D439 I445 N446 F498 L499 Y508 | D439-F442 PolarHBondContact O-N 3.17Å; D439-F442 VanDerWaalsContact O-N 3.13Å; F442-I445 PolarHBondContact O-N 2.89Å; F442-N446 VanDerWaalsContact CE2-ND2 3.35Å; F442-N446 WeakPolarHBondContact CE2-ND2 3.28Å; F442-N446 PolarHBondContact O-N 3.07Å; F442-N446 PolarHBondContact O-ND2 3.42Å; F442-F498 HydrophobicContact CE2-CE1 4.23Å; F442-F498 HydrophobicContact CZ-CE1 4.09Å; F442-L499 HydrophobicContact CE1-CD2 4.39Å; F442-L499 HydrophobicContact CZ-CD2 4.37Å; F442-Y508 HydrophobicContact CE1-CD2 4.42Å |
| 443 | L | 93.7 | Very high | 94 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 176.5 | -69.9 | -179.7 | 0 | 0 | 0 | 111.8 | I22 D439 I445 N446 V447 Y508 Y511 | I22-L443 HydrophobicContact CD1-CB 3.89Å; I22-L443 HydrophobicContact CG1-CB 3.58Å; I22-L443 HydrophobicContact CG1-CD1 3.85Å; I22-L443 HydrophobicContact CG1-CG 4.41Å; D439-L443 PolarHBondContact O-N 3.46Å; L443-I445 VanDerWaalsContact C-N 3.31Å; L443-I445 PolarHBondContact O-N 3.32Å; L443-N446 PolarHBondContact O-N 3.47Å; L443-N446 VanDerWaalsContact O-N 3.16Å; L443-V447 WeakPolarHBondContact O-CG2 3.47Å; L443-V447 PolarHBondContact O-N 3.44Å; L443-Y508 HydrophobicContact CD1-CD1 4.36Å; L443-Y508 HydrophobicContact CD1-CE1 3.69Å; L443-Y508 HydrophobicContact CD1-CE2 4.23Å; L443-Y508 HydrophobicContact CD2-CD1 4.02Å; L443-Y508 HydrophobicContact CD2-CD2 3.81Å; L443-Y508 HydrophobicContact CD2-CE1 4.1Å; L443-Y508 HydrophobicContact CD2-CE2 3.89Å; L443-Y508 HydrophobicContact CD2-CG 3.86Å; L443-Y508 HydrophobicContact CG-CE1 4.36Å; L443-Y508 HydrophobicContact CG-CE2 4.15Å; L443-Y511 HydrophobicContact CD2-CD2 4.24Å |
| 444 | G | 94.7 | Very high | 94.1 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 23% | 0.227 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.3 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R440 L441 A448 | R440-G444 WeakPolarHBondContact O-CA 3.39Å; R440-G444 PolarHBondContact O-N 3.44Å; L441-G444 PolarHBondContact O-N 3.3Å; G444-A448 WeakPolarHBondContact O-CB 3.27Å; G444-A448 PolarHBondContact O-N 3.35Å |
| 445 | I | 95.4 | Very high | 94 | Very high | 93 Ų | 93 | 49 Ų | 49 | 48% | 0.477 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 174.8 | -69.7 | 165.6 | 0 | 0 | 0 | 110.8 | L441 F442 L443 V447 A448 V449 | L441-I445 HydrophobicContact CD1-CD1 4.04Å; L441-I445 HydrophobicContact CD1-CG1 4.28Å; L441-I445 HydrophobicContact CG-CD1 3.95Å; L441-I445 VanDerWaalsContact O-CG1 3.27Å; L441-I445 WeakPolarHBondContact O-CG1 3.47Å; L441-I445 PolarHBondContact O-N 2.93Å; F442-I445 PolarHBondContact O-N 2.89Å; L443-I445 VanDerWaalsContact C-N 3.31Å; L443-I445 PolarHBondContact O-N 3.32Å; I445-V447 PolarHBondContact O-N 2.77Å; I445-A448 PolarHBondContact O-N 3.44Å; I445-V449 HydrophobicContact CG2-CG2 4.24Å; I445-V449 WeakPolarHBondContact O-CB 3.46Å; I445-V449 VanDerWaalsContact O-CG2 3.23Å; I445-V449 WeakPolarHBondContact O-CG2 3.34Å; I445-V449 PolarHBondContact O-N 3.48Å |
| 446 | N | 95.4 | Very high | 93.9 | Very high | 33 Ų | 33 | 50.5 Ų | 50.5 | 18% | 0.176 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.5 | -46.1 | -179.6 | -80.4 | -81.4 | 0 | 0 | 0 | 112.1 | F442 L443 V449 G450 P515 | F442-N446 VanDerWaalsContact CE2-ND2 3.35Å; F442-N446 WeakPolarHBondContact CE2-ND2 3.28Å; F442-N446 PolarHBondContact O-N 3.07Å; F442-N446 PolarHBondContact O-ND2 3.42Å; L443-N446 PolarHBondContact O-N 3.47Å; L443-N446 VanDerWaalsContact O-N 3.16Å; N446-V449 PolarHBondContact O-N 3.25Å; N446-G450 PolarHBondContact O-N 2.89Å; N446-P515 WeakPolarHBondContact O-CG 3.31Å |
| 447 | V | 95.2 | Very high | 94 | Very high | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.4 | -42 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | F15 I22 L443 I445 V449 G450 F451 Y511 | F15-V447 HydrophobicContact CD1-CG1 4.03Å; I22-V447 HydrophobicContact CD1-CB 4.36Å; I22-V447 HydrophobicContact CD1-CG2 3.9Å; L443-V447 WeakPolarHBondContact O-CG2 3.47Å; L443-V447 PolarHBondContact O-N 3.44Å; I445-V447 PolarHBondContact O-N 2.77Å; V447-V449 PolarHBondContact O-N 2.72Å; V447-G450 CarbonylContact O-C 3.58Å; V447-G450 WeakPolarHBondContact O-CA 3.47Å; V447-G450 PolarHBondContact O-N 3.3Å; V447-G450 VanDerWaalsContact O-N 3.16Å; V447-F451 HydrophobicContact CG1-CD2 3.82Å; V447-F451 HydrophobicContact CG1-CE2 3.97Å; V447-F451 PolarHBondContact O-N 3.41Å; V447-Y511 HydrophobicContact CG2-CG 4.44Å |
| 448 | A | 95.2 | Very high | 93.9 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 41% | 0.405 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G444 I445 G450 F451 V452 | G444-A448 WeakPolarHBondContact O-CB 3.27Å; G444-A448 PolarHBondContact O-N 3.35Å; I445-A448 PolarHBondContact O-N 3.44Å; A448-G450 VanDerWaalsContact C-N 3.28Å; A448-G450 PolarHBondContact O-N 3.38Å; A448-F451 PolarHBondContact O-N 3Å; A448-V452 WeakPolarHBondContact O-CB 3.43Å; A448-V452 VanDerWaalsContact O-CG2 3.3Å; A448-V452 WeakPolarHBondContact O-CG2 3.42Å; A448-V452 PolarHBondContact O-N 3.35Å |
| 449 | V | 96.4 | Very high | 93.7 | Very high | 61 Ų | 61 | 50.5 Ų | 50.5 | 37% | 0.37 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -37.7 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | I445 N446 V447 G453 P515 W519 | I445-V449 HydrophobicContact CG2-CG2 4.24Å; I445-V449 WeakPolarHBondContact O-CB 3.46Å; I445-V449 VanDerWaalsContact O-CG2 3.23Å; I445-V449 WeakPolarHBondContact O-CG2 3.34Å; I445-V449 PolarHBondContact O-N 3.48Å; N446-V449 PolarHBondContact O-N 3.25Å; V447-V449 PolarHBondContact O-N 2.72Å; V449-G453 PolarHBondContact O-N 3.17Å; V449-P515 HydrophobicContact CG1-CB 4.13Å; V449-W519 VanDerWaalsContact CG1-NE1 3.31Å; V449-W519 PolarHBondContact O-NE1 3.31Å |
| 450 | G | 95.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | F15 N446 V447 A448 G453 W454 | F15-G450 VanDerWaalsContact CZ-C 3.48Å; N446-G450 PolarHBondContact O-N 2.89Å; V447-G450 CarbonylContact O-C 3.58Å; V447-G450 WeakPolarHBondContact O-CA 3.47Å; V447-G450 PolarHBondContact O-N 3.3Å; V447-G450 VanDerWaalsContact O-N 3.16Å; A448-G450 VanDerWaalsContact C-N 3.28Å; A448-G450 PolarHBondContact O-N 3.38Å; G450-G453 PolarHBondContact O-N 3.5Å; G450-W454 WeakPolarHBondContact O-CB 3.41Å; G450-W454 PolarHBondContact O-N 3.24Å |
| 451 | F | 94.2 | Very high | 93.2 | Very high | 77 Ų | 77 | 45.4 Ų | 45.4 | 34% | 0.338 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.4 | -49.6 | 176.5 | -98.6 | -70.8 | 0 | 0 | 0 | 111.9 | F15 V447 A448 G453 W454 M455 | F15-F451 HydrophobicContact CB-CD2 4.37Å; F15-F451 HydrophobicContact CB-CE1 4.26Å; F15-F451 HydrophobicContact CB-CE2 3.44Å; F15-F451 VanDerWaalsContact CB-CE2 3.44Å; F15-F451 HydrophobicContact CB-CZ 3.38Å; F15-F451 AromaticContact CD1-CD2 3.93Å; F15-F451 HydrophobicContact CD1-CD2 3.93Å; F15-F451 AromaticContact CD1-CE2 3.84Å; F15-F451 HydrophobicContact CD1-CE2 3.84Å; F15-F451 HydrophobicContact CD1-CZ 4.35Å; F15-F451 AromaticContact CD2-CD1 3.63Å; F15-F451 HydrophobicContact CD2-CD1 3.63Å; F15-F451 AromaticContact CD2-CD2 3.92Å; F15-F451 HydrophobicContact CD2-CD2 3.92Å; F15-F451 AromaticContact CD2-CE1 3.29Å; F15-F451 HydrophobicContact CD2-CE1 3.29Å; F15-F451 AromaticContact CD2-CE2 3.62Å; F15-F451 HydrophobicContact CD2-CE2 3.62Å; F15-F451 AromaticContact CD2-CG 3.94Å; F15-F451 HydrophobicContact CD2-CG 3.94Å; F15-F451 AromaticContact CD2-CZ 3.3Å; F15-F451 HydrophobicContact CD2-CZ 3.3Å; F15-F451 HydrophobicContact CE1-CD2 4.15Å; F15-F451 HydrophobicContact CE1-CE2 4.49Å; F15-F451 HydrophobicContact CE1-CG 4.4Å; F15-F451 HydrophobicContact CE2-CB 4.49Å; F15-F451 AromaticContact CE2-CD1 3.58Å; F15-F451 HydrophobicContact CE2-CD1 3.58Å; F15-F451 HydrophobicContact CE2-CD2 4.12Å; F15-F451 AromaticContact CE2-CE1 3.75Å; F15-F451 HydrophobicContact CE2-CE1 3.75Å; F15-F451 HydrophobicContact CE2-CE2 4.28Å; F15-F451 AromaticContact CE2-CG 3.78Å; F15-F451 HydrophobicContact CE2-CG 3.78Å; F15-F451 HydrophobicContact CE2-CZ 4.12Å; F15-F451 HydrophobicContact CG-CD1 4.36Å; F15-F451 AromaticContact CG-CD2 3.82Å; F15-F451 HydrophobicContact CG-CD2 3.82Å; F15-F451 AromaticContact CG-CE1 3.95Å; F15-F451 HydrophobicContact CG-CE1 3.95Å; F15-F451 AromaticContact CG-CE2 3.36Å; F15-F451 HydrophobicContact CG-CE2 3.36Å; F15-F451 HydrophobicContact CG-CG 4.31Å; F15-F451 AromaticContact CG-CZ 3.44Å; F15-F451 HydrophobicContact CG-CZ 3.44Å; F15-F451 VanDerWaalsContact CG-CZ 3.44Å; F15-F451 HydrophobicContact CZ-CB 4.43Å; F15-F451 HydrophobicContact CZ-CD1 4.3Å; F15-F451 HydrophobicContact CZ-CD2 4.25Å; F15-F451 HydrophobicContact CZ-CG 4.05Å; V447-F451 HydrophobicContact CG1-CD2 3.82Å; V447-F451 HydrophobicContact CG1-CE2 3.97Å; V447-F451 PolarHBondContact O-N 3.41Å; A448-F451 PolarHBondContact O-N 3Å; F451-G453 VanDerWaalsContact C-N 3.31Å; F451-G453 PolarHBondContact O-N 3.28Å; F451-W454 PolarHBondContact O-N 2.88Å; F451-M455 HydrophobicContact CB-CE 4.49Å; F451-M455 WeakPolarHBondContact O-CB 3.41Å; F451-M455 WeakPolarHBondContact O-CG 3.46Å; F451-M455 PolarHBondContact O-N 3.31Å |
| 452 | V | 95.6 | Very high | 92.8 | Very high | 70 Ų | 70 | 43.1 Ų | 43.1 | 42% | 0.424 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61 | -43.2 | 177.9 | 173 | 0 | 0 | 0 | 0 | 110.4 | A448 M455 S456 W519 | A448-V452 WeakPolarHBondContact O-CB 3.43Å; A448-V452 VanDerWaalsContact O-CG2 3.3Å; A448-V452 WeakPolarHBondContact O-CG2 3.42Å; A448-V452 PolarHBondContact O-N 3.35Å; V452-M455 HydrophobicContact CG2-CE 4.29Å; V452-M455 PolarHBondContact O-N 2.7Å; V452-S456 VanDerWaalsContact O-CB 3.28Å; V452-S456 WeakPolarHBondContact O-CB 3.38Å; V452-S456 PolarHBondContact O-N 2.86Å; V452-S456 PolarHBondContact O-OG 3.09Å; V452-W519 HydrophobicContact CG1-CH2 4.33Å; V452-W519 HydrophobicContact CG1-CZ2 4.03Å |
| 453 | G | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.4 | -45.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V449 G450 F451 S456 Y457 V522 | V449-G453 PolarHBondContact O-N 3.17Å; G450-G453 PolarHBondContact O-N 3.5Å; F451-G453 VanDerWaalsContact C-N 3.31Å; F451-G453 PolarHBondContact O-N 3.28Å; G453-S456 PolarHBondContact O-N 3.26Å; G453-Y457 WeakPolarHBondContact O-CB 3.46Å; G453-Y457 PolarHBondContact O-N 2.89Å; G453-V522 WeakPolarHBondContact O-CG2 3.41Å |
| 454 | W | 94.9 | Very high | 91.7 | Very high | 14 Ų | 14 | 45.5 Ų | 45.5 | 5% | 0.053 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65 | -46.7 | 180 | 178.8 | -108.9 | 0 | 0 | 0 | 111.5 | F4 I11 H12 F15 G450 F451 S456 Y457 T458 I518 | F4-W454 HydrophobicContact CD2-CH2 4.19Å; F4-W454 AromaticContact CE2-CH2 3.69Å; F4-W454 HydrophobicContact CE2-CH2 3.69Å; F4-W454 HydrophobicContact CE2-CZ2 4.18Å; F4-W454 HydrophobicContact CE2-CZ3 4.42Å; F4-W454 HydrophobicContact CZ-CH2 4.14Å; F4-W454 HydrophobicContact CZ-CZ2 4.15Å; I11-W454 HydrophobicContact CD1-CD2 3.96Å; I11-W454 HydrophobicContact CD1-CE3 3.35Å; I11-W454 HydrophobicContact CD1-CH2 3.98Å; I11-W454 HydrophobicContact CD1-CZ3 3.35Å; I11-W454 HydrophobicContact CG2-CD2 4.27Å; I11-W454 HydrophobicContact CG2-CG 4.2Å; H12-W454 AromaticContact CE1-CD1 3.76Å; H12-W454 AromaticContact CE1-NE1 3.33Å; H12-W454 PolarHBondContact CE1-NE1 3.45Å; H12-W454 VanDerWaalsContact CE1-NE1 3.33Å; F15-W454 HydrophobicContact CE2-CB 4.44Å; G450-W454 WeakPolarHBondContact O-CB 3.41Å; G450-W454 PolarHBondContact O-N 3.24Å; F451-W454 PolarHBondContact O-N 2.88Å; W454-S456 VanDerWaalsContact C-N 3.29Å; W454-S456 PolarHBondContact O-N 3.41Å; W454-Y457 HydrophobicContact CE3-CD1 4.2Å; W454-Y457 AromaticContact CZ3-CD1 3.9Å; W454-Y457 HydrophobicContact CZ3-CD1 3.9Å; W454-Y457 HydrophobicContact CZ3-CE1 4.33Å; W454-Y457 PolarHBondContact O-N 3.11Å; W454-T458 HydrophobicContact CD2-CG2 4.09Å; W454-T458 HydrophobicContact CG-CG2 4.47Å; W454-T458 HydrophobicContact CH2-CG2 4.44Å; W454-T458 HydrophobicContact CZ2-CG2 3.78Å; W454-T458 VanDerWaalsContact O-CG2 3.3Å; W454-T458 WeakPolarHBondContact O-CG2 3.47Å; W454-T458 PolarHBondContact O-N 3.42Å; W454-T458 PolarHBondContact O-OG1 2.8Å; W454-I518 HydrophobicContact CB-CD1 4.43Å; W454-I518 HydrophobicContact CB-CG2 4.42Å; W454-I518 VanDerWaalsContact N-CG2 3.35Å |
| 455 | M | 92.6 | Very high | 90.8 | Very high | 101 Ų | 101 | 48 Ų | 48 | 50% | 0.498 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 174.8 | -70.9 | -173.5 | -66 | 0 | 0 | 112.1 | F451 V452 T458 S459 | F451-M455 HydrophobicContact CB-CE 4.49Å; F451-M455 WeakPolarHBondContact O-CB 3.41Å; F451-M455 WeakPolarHBondContact O-CG 3.46Å; F451-M455 PolarHBondContact O-N 3.31Å; V452-M455 HydrophobicContact CG2-CE 4.29Å; V452-M455 PolarHBondContact O-N 2.7Å; M455-T458 PolarHBondContact O-OG1 3.41Å; M455-S459 VanDerWaalsContact O-CB 3.23Å; M455-S459 WeakPolarHBondContact O-CB 3.45Å; M455-S459 PolarHBondContact O-N 2.86Å; M455-S459 PolarHBondContact O-OG 3.24Å |
| 456 | S | 93.4 | Very high | 89.8 | Confident | 38 Ų | 38 | 45.9 Ų | 45.9 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 175.8 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | V452 G453 W454 S459 L460 | V452-S456 VanDerWaalsContact O-CB 3.28Å; V452-S456 WeakPolarHBondContact O-CB 3.38Å; V452-S456 PolarHBondContact O-N 2.86Å; V452-S456 PolarHBondContact O-OG 3.09Å; G453-S456 PolarHBondContact O-N 3.26Å; W454-S456 VanDerWaalsContact C-N 3.29Å; W454-S456 PolarHBondContact O-N 3.41Å; S456-S459 PolarHBondContact O-N 2.96Å; S456-L460 WeakPolarHBondContact O-CB 3.46Å; S456-L460 VanDerWaalsContact O-CG 3.29Å; S456-L460 WeakPolarHBondContact O-CG 3.4Å; S456-L460 PolarHBondContact O-N 3.43Å |
| 457 | Y | 92.3 | Very high | 88.7 | Confident | 37 Ų | 37 | 45.1 Ų | 45.1 | 15% | 0.145 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 178.5 | -177.7 | -121.1 | 0 | 0 | 0 | 112 | F4 G453 W454 S459 L460 L461 A521 | F4-Y457 HydrophobicContact CD2-CE1 4.44Å; F4-Y457 HydrophobicContact CE2-CD1 4.3Å; F4-Y457 AromaticContact CE2-CE1 3.99Å; F4-Y457 HydrophobicContact CE2-CE1 3.99Å; G453-Y457 WeakPolarHBondContact O-CB 3.46Å; G453-Y457 PolarHBondContact O-N 2.89Å; W454-Y457 HydrophobicContact CE3-CD1 4.2Å; W454-Y457 AromaticContact CZ3-CD1 3.9Å; W454-Y457 HydrophobicContact CZ3-CD1 3.9Å; W454-Y457 HydrophobicContact CZ3-CE1 4.33Å; W454-Y457 PolarHBondContact O-N 3.11Å; Y457-S459 VanDerWaalsContact C-N 3.33Å; Y457-S459 PolarHBondContact O-N 3.13Å; Y457-L460 PolarHBondContact O-N 3.17Å; Y457-L461 HydrophobicContact CD1-CD1 4.12Å; Y457-L461 HydrophobicContact CE1-CD1 3.63Å; Y457-L461 HydrophobicContact CE1-CG 4.45Å; Y457-L461 HydrophobicContact CE2-CD1 4.17Å; Y457-L461 HydrophobicContact CE2-CD2 4.3Å; Y457-L461 HydrophobicContact CE2-CG 4.14Å; Y457-L461 WeakPolarHBondContact O-CG 3.46Å; Y457-L461 PolarHBondContact O-N 2.87Å; Y457-A521 HydrophobicContact CD2-CB 3.8Å; Y457-A521 HydrophobicContact CE2-CB 3.63Å; Y457-A521 HydrophobicContact CG-CB 4.36Å |
| 458 | T | 90.3 | Very high | 87.3 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 176.9 | 61.6 | 0 | 0 | 0 | 0 | 111.5 | F4 W454 M455 L461 I462 | F4-T458 HydrophobicContact CE2-CG2 4.34Å; F4-T458 HydrophobicContact CZ-CG2 3.69Å; W454-T458 HydrophobicContact CD2-CG2 4.09Å; W454-T458 HydrophobicContact CG-CG2 4.47Å; W454-T458 HydrophobicContact CH2-CG2 4.44Å; W454-T458 HydrophobicContact CZ2-CG2 3.78Å; W454-T458 VanDerWaalsContact O-CG2 3.3Å; W454-T458 WeakPolarHBondContact O-CG2 3.47Å; W454-T458 PolarHBondContact O-N 3.42Å; W454-T458 PolarHBondContact O-OG1 2.8Å; M455-T458 PolarHBondContact O-OG1 3.41Å; T458-L461 PolarHBondContact O-N 3.04Å; T458-I462 VanDerWaalsContact O-CG1 3.29Å; T458-I462 WeakPolarHBondContact O-CG1 3.38Å; T458-I462 PolarHBondContact O-N 2.87Å |
| 459 | S | 87.6 | Confident | 85.9 | Confident | 58 Ų | 58 | 48.4 Ų | 48.4 | 41% | 0.406 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.2 | -45 | 176.2 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | M455 S456 Y457 L461 I462 I463 | M455-S459 VanDerWaalsContact O-CB 3.23Å; M455-S459 WeakPolarHBondContact O-CB 3.45Å; M455-S459 PolarHBondContact O-N 2.86Å; M455-S459 PolarHBondContact O-OG 3.24Å; S456-S459 PolarHBondContact O-N 2.96Å; Y457-S459 VanDerWaalsContact C-N 3.33Å; Y457-S459 PolarHBondContact O-N 3.13Å; S459-L461 VanDerWaalsContact C-N 3.35Å; S459-L461 PolarHBondContact O-N 3.4Å; S459-I462 PolarHBondContact O-N 3.21Å; S459-I463 WeakPolarHBondContact O-CB 3.25Å; S459-I463 VanDerWaalsContact O-CG1 3.25Å; S459-I463 WeakPolarHBondContact O-CG1 3.44Å; S459-I463 PolarHBondContact O-N 2.92Å |
| 460 | L | 88.1 | Confident | 84.2 | Confident | 11 Ų | 11 | 48.2 Ų | 48.2 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 177 | -71.8 | 172.4 | 0 | 0 | 0 | 112 | S456 Y457 I462 I463 K464 V522 E525 V528 I529 L532 | S456-L460 WeakPolarHBondContact O-CB 3.46Å; S456-L460 VanDerWaalsContact O-CG 3.29Å; S456-L460 WeakPolarHBondContact O-CG 3.4Å; S456-L460 PolarHBondContact O-N 3.43Å; Y457-L460 PolarHBondContact O-N 3.17Å; L460-I462 VanDerWaalsContact C-N 3.34Å; L460-I463 PolarHBondContact O-N 3.32Å; L460-K464 WeakPolarHBondContact O-CB 3.41Å; L460-K464 PolarHBondContact O-N 2.85Å; L460-V522 HydrophobicContact CD1-CB 4.49Å; L460-V522 HydrophobicContact CD1-CG1 3.81Å; L460-E525 HydrophobicContact CD1-CB 4.39Å; L460-V528 HydrophobicContact CD2-CB 4.48Å; L460-V528 HydrophobicContact CD2-CG1 4.03Å; L460-I529 HydrophobicContact CD1-CD1 3.94Å; L460-I529 HydrophobicContact CD1-CG1 3.76Å; L460-I529 HydrophobicContact CD2-CG1 3.75Å; L460-I529 HydrophobicContact CG-CG1 4.43Å; L460-L532 HydrophobicContact CD2-CD2 4.47Å |
| 461 | L | 85.7 | Confident | 82.3 | Confident | 40 Ų | 40 | 56.8 Ų | 56.8 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 174.7 | -71.8 | 177.4 | 0 | 0 | 0 | 112.1 | F4 Y457 T458 S459 S465 | F4-L461 HydrophobicContact CD2-CD1 3.96Å; F4-L461 HydrophobicContact CE2-CD1 3.39Å; F4-L461 HydrophobicContact CZ-CD1 3.96Å; Y457-L461 HydrophobicContact CD1-CD1 4.12Å; Y457-L461 HydrophobicContact CE1-CD1 3.63Å; Y457-L461 HydrophobicContact CE1-CG 4.45Å; Y457-L461 HydrophobicContact CE2-CD1 4.17Å; Y457-L461 HydrophobicContact CE2-CD2 4.3Å; Y457-L461 HydrophobicContact CE2-CG 4.14Å; Y457-L461 WeakPolarHBondContact O-CG 3.46Å; Y457-L461 PolarHBondContact O-N 2.87Å; T458-L461 PolarHBondContact O-N 3.04Å; S459-L461 VanDerWaalsContact C-N 3.35Å; S459-L461 PolarHBondContact O-N 3.4Å; L461-S465 VanDerWaalsContact O-CB 3.27Å; L461-S465 WeakPolarHBondContact O-CB 3.43Å; L461-S465 PolarHBondContact O-N 3.28Å; L461-S465 PolarHBondContact O-OG 2.86Å |
| 462 | I | 83.6 | Confident | 80.3 | Confident | 83 Ų | 83 | 55.8 Ų | 55.8 | 43% | 0.426 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.2 | -47.4 | 176.4 | -69.9 | 166.3 | 0 | 0 | 0 | 110.3 | T458 S459 L460 K464 S465 H466 L779 | T458-I462 VanDerWaalsContact O-CG1 3.29Å; T458-I462 WeakPolarHBondContact O-CG1 3.38Å; T458-I462 PolarHBondContact O-N 2.87Å; S459-I462 PolarHBondContact O-N 3.21Å; L460-I462 VanDerWaalsContact C-N 3.34Å; I462-K464 PolarHBondContact O-N 3.36Å; I462-S465 PolarHBondContact O-N 3.32Å; I462-H466 WeakPolarHBondContact O-CA 3.44Å; I462-H466 WeakPolarHBondContact O-CB 3.36Å; I462-H466 PolarHBondContact O-N 3.47Å; I462-L779 HydrophobicContact CG2-CD1 3.69Å |
| 463 | I | 81.8 | Confident | 78 | Confident | 29 Ų | 29 | 58.5 Ų | 58.5 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 177.6 | -70.8 | 166.2 | 0 | 0 | 0 | 110.2 | S459 L460 S465 S467 I469 V528 L532 | S459-I463 WeakPolarHBondContact O-CB 3.25Å; S459-I463 VanDerWaalsContact O-CG1 3.25Å; S459-I463 WeakPolarHBondContact O-CG1 3.44Å; S459-I463 PolarHBondContact O-N 2.92Å; L460-I463 PolarHBondContact O-N 3.32Å; I463-S465 PolarHBondContact O-N 3.3Å; I463-S467 VanDerWaalsContact CG2-OG 3.31Å; I463-S467 WeakPolarHBondContact CG2-OG 3.49Å; I463-S467 VanDerWaalsContact O-CB 3.3Å; I463-S467 WeakPolarHBondContact O-CB 3.35Å; I463-S467 PolarHBondContact O-N 2.87Å; I463-S467 PolarHBondContact O-OG 3.35Å; I463-I469 HydrophobicContact CG2-CB 4.33Å; I463-I469 HydrophobicContact CG2-CD1 4.23Å; I463-V528 HydrophobicContact CG2-CG1 3.97Å; I463-L532 HydrophobicContact CD1-CD1 4.11Å; I463-L532 HydrophobicContact CD1-CD2 3.94Å |
| 464 | K | 81.4 | Confident | 75.9 | Confident | 93 Ų | 93 | 68.6 Ų | 68.6 | 40% | 0.404 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.6 | -34.9 | 178.4 | -176.5 | 177.9 | -176.5 | 170.8 | 0 | 112.8 | L460 I462 E525 V528 | L460-K464 WeakPolarHBondContact O-CB 3.41Å; L460-K464 PolarHBondContact O-N 2.85Å; I462-K464 PolarHBondContact O-N 3.36Å; K464-E525 IonicContact NZ-OE1 3.68Å; K464-E525 IonicContact NZ-OE2 3.15Å; K464-E525 PolarHBondContact NZ-OE2 3.47Å; K464-V528 HydrophobicContact CB-CG1 4.44Å; K464-V528 HydrophobicContact CB-CG2 4.29Å; K464-V528 HydrophobicContact CD-CG2 4.22Å; K464-V528 HydrophobicContact CG-CG2 4.22Å |
| 465 | S | 77.6 | Confident | 73.6 | Confident | 74 Ų | 74 | 76.5 Ų | 76.5 | 52% | 0.517 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -94.4 | -24.2 | -174 | -50.1 | 0 | 0 | 0 | 0 | 113.7 | L461 I462 I463 | L461-S465 VanDerWaalsContact O-CB 3.27Å; L461-S465 WeakPolarHBondContact O-CB 3.43Å; L461-S465 PolarHBondContact O-N 3.28Å; L461-S465 PolarHBondContact O-OG 2.86Å; I462-S465 PolarHBondContact O-N 3.32Å; I463-S465 PolarHBondContact O-N 3.3Å |
| 466 | H | 74.1 | Confident | 71.5 | Confident | 49 Ų | 49 | 80.6 Ų | 80.6 | 23% | 0.227 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -135.5 | 9.2 | -166.7 | -56.7 | -62.4 | 0 | 0 | 0 | 115.2 | I462 F776 L779 | I462-H466 WeakPolarHBondContact O-CA 3.44Å; I462-H466 WeakPolarHBondContact O-CB 3.36Å; I462-H466 PolarHBondContact O-N 3.47Å; H466-F776 AromaticContact CE1-CD1 3.32Å; H466-F776 WeakPolarHBondContact CE1-CD1 3.35Å; H466-F776 AromaticContact CE1-CD2 3.73Å; H466-F776 AromaticContact CE1-CE1 3.38Å; H466-F776 WeakPolarHBondContact CE1-CE1 3.31Å; H466-F776 AromaticContact CE1-CE2 3.79Å; H466-F776 AromaticContact CE1-CG 3.51Å; H466-F776 AromaticContact CE1-CZ 3.63Å; H466-F776 AromaticContact ND1-CD1 3.32Å; H466-F776 VanDerWaalsContact ND1-CD1 3.32Å; H466-F776 WeakPolarHBondContact ND1-CD1 3.05Å; H466-F776 AromaticContact ND1-CD2 3.84Å; H466-F776 AromaticContact ND1-CE1 3.9Å; H466-F776 AromaticContact ND1-CG 3.3Å; H466-F776 VanDerWaalsContact ND1-CG 3.3Å; H466-F776 WeakPolarHBondContact ND1-CG 3.39Å; H466-L779 HydrophobicContact CB-CD1 4.36Å; H466-L779 HydrophobicContact CB-CG 4.44Å; H466-L779 PolarHBondContact O-N 2.87Å; H466-L779 VanDerWaalsContact O-N 3.15Å |
| 467 | S | 70.9 | Confident | 69.4 | Low | 17 Ų | 17 | 81.6 Ų | 81.6 | 12% | 0.119 | 43% | 0.434 | C | S | . | . | trans | -122.8 | 158.8 | 175 | 81.8 | 0 | 0 | 0 | 0 | 112.2 | I463 I469 P470 | I463-S467 VanDerWaalsContact CG2-OG 3.31Å; I463-S467 WeakPolarHBondContact CG2-OG 3.49Å; I463-S467 VanDerWaalsContact O-CB 3.3Å; I463-S467 WeakPolarHBondContact O-CB 3.35Å; I463-S467 PolarHBondContact O-N 2.87Å; I463-S467 PolarHBondContact O-OG 3.35Å; S467-I469 WeakPolarHBondContact OG-CB 3.48Å; S467-I469 PolarHBondContact OG-N 2.6Å; S467-P470 WeakPolarHBondContact O-CD 3.2Å | ||
| 468 | N | 66.5 | Low | 67.2 | Low | 93 Ų | 93 | 89.5 Ų | 89.5 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -88.4 | 10.2 | 172.5 | -67.7 | -11.2 | 0 | 0 | 0 | 113.3 | Q778 | N468-Q778 PolarHBondContact ND2-NE2 3.38Å; N468-Q778 PolarHBondContact ND2-OE1 2.99Å; N468-Q778 WeakPolarHBondContact OD1-CG 3.47Å; N468-Q778 PolarHBondContact OD1-NE2 3.31Å; N468-Q778 PolarHBondContact OD1-OE1 2.94Å |
| 469 | I | 65.5 | Low | 65.8 | Low | 40 Ų | 40 | 97.3 Ų | 97.3 | 21% | 0.205 | 50% | 0.501 | C | S | . | . | trans | -64.7 | -39.4 | -177.9 | -64.5 | 175.2 | 0 | 0 | 0 | 111.8 | I463 S467 K471 D531 L532 | I463-I469 HydrophobicContact CG2-CB 4.33Å; I463-I469 HydrophobicContact CG2-CD1 4.23Å; S467-I469 WeakPolarHBondContact OG-CB 3.48Å; S467-I469 PolarHBondContact OG-N 2.6Å; I469-K471 PolarHBondContact O-N 3.47Å; I469-D531 HydrophobicContact CG2-CB 3.9Å; I469-L532 HydrophobicContact CD1-CD1 4.15Å | ||
| 470 | P | 61 | Low | 64.3 | Low | 58 Ų | 58 | 99.2 Ų | 99.2 | 38% | 0.377 | 51% | 0.512 | S | S | . | . | trans | -69.9 | 96.8 | 174.1 | 25.4 | -28.8 | 0 | 0 | 0 | 110.5 | S467 D531 | S467-P470 WeakPolarHBondContact O-CD 3.2Å; P470-D531 WeakPolarHBondContact CA-OD2 3.36Å | ||
| 471 | K | 55.9 | Low | 63.2 | Low | 181 Ų | 181 | 103.4 Ų | 103.4 | 79% | 0.787 | 53% | 0.531 | S | S | * | . | trans | -98.4 | -9 | -178.7 | -70.8 | 176.9 | -177.1 | 173.7 | 0 | 112.9 | I469 | I469-K471 PolarHBondContact O-N 3.47Š| ||
| 472 | G | 51.3 | Low | 62.7 | Low | 56 Ų | 56 | 104.6 Ų | 104.6 | 58% | 0.577 | 54% | 0.542 | S | S | * | . | trans | -78.5 | 124.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | R474 | G472-R474 PolarHBondContact O-N 3.07Å; G472-R474 VanDerWaalsContact O-N 3.17Å | ||
| 473 | T | 48.1 | Very low | 62.7 | Low | 127 Ų | 127 | 107.1 Ų | 107.1 | 78% | 0.779 | 56% | 0.556 | S | S | * | * | trans | -51.4 | 119.3 | 157.1 | 39.6 | 0 | 0 | 0 | 0 | 108.8 | K475 | T473-K475 PolarHBondContact O-N 3.25Š| ||
| 474 | R | 51.4 | Low | 63 | Low | 211 Ų | 211 | 107.9 Ų | 107.9 | 80% | 0.796 | 56% | 0.56 | S | S | * | * | trans | -47.8 | 102.9 | 170 | -88.8 | -177.9 | 173.9 | -175 | 0.9 | 109 | G472 E476 | G472-R474 PolarHBondContact O-N 3.07Å; G472-R474 VanDerWaalsContact O-N 3.17Å; R474-E476 VanDerWaalsContact C-N 3.29Å; R474-E476 PolarHBondContact O-N 3.38Å; R474-E476 VanDerWaalsContact O-N 3.08Å | ||
| 475 | K | 47.2 | Very low | 63.3 | Low | 181 Ų | 181 | 106.5 Ų | 106.5 | 79% | 0.787 | 56% | 0.556 | S | S | * | * | trans | -76.1 | 93.4 | 161.2 | -77.2 | -175.8 | 178.3 | 176.2 | 0 | 105.8 | T473 G477 | T473-K475 PolarHBondContact O-N 3.25Å; K475-G477 PolarHBondContact O-N 2.91Å | ||
| 476 | E | 47 | Very low | 64 | Low | 187 Ų | 187 | 110 Ų | 110 | 87% | 0.874 | 56% | 0.56 | S | S | * | * | trans | -57.5 | 94.8 | 161.5 | -74.7 | -169.3 | 162.1 | 0 | 0 | 107.9 | R474 | R474-E476 VanDerWaalsContact C-N 3.29Å; R474-E476 PolarHBondContact O-N 3.38Å; R474-E476 VanDerWaalsContact O-N 3.08Å | ||
| 477 | G | 50.7 | Low | 64.9 | Low | 58 Ų | 58 | 110.1 Ų | 110.1 | 60% | 0.598 | 57% | 0.566 | S | S | * | * | trans | 153.9 | 77.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K475 | K475-G477 PolarHBondContact O-N 2.91Š| ||
| 478 | K | 46.1 | Very low | 65.9 | Low | 204 Ų | 204 | 111 Ų | 111 | 89% | 0.887 | 57% | 0.567 | S | S | * | * | 178.8 | 104.8 | 129.8 | -95.2 | 166.3 | -172.4 | -172.6 | 0 | 110.3 | |||||
| 479 | K | 60.7 | Low | 67.3 | Low | 193 Ų | 193 | 111 Ų | 111 | 84% | 0.839 | 57% | 0.566 | S | S | * | * | trans | -71.8 | 142.8 | 153 | -84 | -174.7 | -179.4 | 179.1 | 0 | 107.3 | ||||
| 480 | P | 55.7 | Low | 68.7 | Low | 98 Ų | 98 | 111.3 Ų | 111.3 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | -143 | 106.5 | 58.9 | 35.4 | -14 | 0 | 0 | 0 | 114.6 | C482 | P480-C482 HydrophobicContact CB-CB 4.42Å; P480-C482 PolarHBondContact O-N 3.3Å | |||
| 481 | H | 64.4 | Low | 70.3 | Confident | 100 Ų | 100 | 111.8 Ų | 111.8 | 46% | 0.463 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.1 | -5.9 | 161.1 | -70.2 | -75.2 | 0 | 0 | 0 | 113.3 | L483 L485 | H481-L483 PolarHBondContact O-N 3.24Å; H481-L485 WeakPolarHBondContact O-CB 3.3Å; H481-L485 PolarHBondContact O-N 3.49Å |
| 482 | C | 76.2 | Confident | 72.3 | Confident | 65 Ų | 65 | 103.8 Ų | 103.8 | 44% | 0.439 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 176 | -96.2 | 0 | 0 | 0 | 0 | 112.7 | P480 L484 L485 Y486 | P480-C482 HydrophobicContact CB-CB 4.42Å; P480-C482 PolarHBondContact O-N 3.3Å; C482-L484 PolarHBondContact O-N 3.45Å; C482-L485 PolarHBondContact O-N 3.35Å; C482-Y486 HydrophobicContact CB-CD2 4.09Å; C482-Y486 HydrophobicContact CB-CE2 3.77Å; C482-Y486 WeakPolarHBondContact O-CB 3.46Å; C482-Y486 WeakPolarHBondContact O-CD2 3.31Å; C482-Y486 PolarHBondContact O-N 2.95Å |
| 483 | L | 83.8 | Confident | 74.4 | Confident | 136 Ų | 136 | 105 Ų | 105 | 71% | 0.712 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.5 | -39.9 | -176.1 | -170.7 | 133.6 | 0 | 0 | 0 | 111.8 | H481 Y486 S487 | H481-L483 PolarHBondContact O-N 3.24Å; L483-Y486 PolarHBondContact O-N 2.92Å; L483-S487 WeakPolarHBondContact O-CB 3.48Å; L483-S487 PolarHBondContact O-N 3.36Å; L483-S487 PolarHBondContact O-OG 3.2Å |
| 484 | L | 87.3 | Confident | 76.7 | Confident | 45 Ų | 45 | 104.8 Ų | 104.8 | 24% | 0.236 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | 172.9 | -173.6 | 71.5 | 0 | 0 | 0 | 111.5 | C482 S487 F488 Y520 L523 | C482-L484 PolarHBondContact O-N 3.45Å; L484-S487 WeakPolarHBondContact CA-OG 3.47Å; L484-S487 PolarHBondContact O-N 2.9Å; L484-S487 PolarHBondContact O-OG 3.03Å; L484-F488 HydrophobicContact CD1-CD2 3.98Å; L484-F488 HydrophobicContact CD1-CE2 3.71Å; L484-F488 HydrophobicContact CG-CD2 4.16Å; L484-F488 HydrophobicContact CG-CE2 4.27Å; L484-F488 WeakPolarHBondContact O-CD2 3.29Å; L484-F488 PolarHBondContact O-N 3.28Å; L484-Y520 HydrophobicContact CD2-CD2 4.25Å; L484-Y520 HydrophobicContact CD2-CE2 4.22Å; L484-Y520 HydrophobicContact CG-CD2 4.22Å; L484-Y520 HydrophobicContact CG-CE2 4.31Å; L484-L523 HydrophobicContact CD2-CB 4.29Å |
| 485 | L | 88.8 | Confident | 78.8 | Confident | 63 Ų | 63 | 96.3 Ų | 96.3 | 33% | 0.33 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -48.5 | 176.8 | 177.5 | 61.9 | 0 | 0 | 0 | 111.2 | H481 C482 S487 F488 I489 Y520 | H481-L485 WeakPolarHBondContact O-CB 3.3Å; H481-L485 PolarHBondContact O-N 3.49Å; C482-L485 PolarHBondContact O-N 3.35Å; L485-S487 VanDerWaalsContact C-N 3.32Å; L485-S487 PolarHBondContact O-N 3.02Å; L485-F488 PolarHBondContact O-N 3.31Å; L485-I489 HydrophobicContact CD1-CD1 4.03Å; L485-I489 HydrophobicContact CD1-CG1 4.33Å; L485-I489 HydrophobicContact CG-CD1 3.9Å; L485-I489 VanDerWaalsContact O-CG1 3.29Å; L485-I489 WeakPolarHBondContact O-CG1 3.39Å; L485-I489 PolarHBondContact O-N 2.75Å; L485-Y520 HydrophobicContact CB-CE2 4.05Å; L485-Y520 HydrophobicContact CD1-CE1 4.24Å; L485-Y520 HydrophobicContact CD1-CE2 4.09Å |
| 486 | Y | 91.3 | Very high | 81.1 | Confident | 149 Ų | 149 | 89.1 Ų | 89.1 | 58% | 0.584 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.2 | -37.1 | 177.8 | -69 | -54.9 | 0 | 0 | 0 | 112.2 | C482 L483 I489 A490 | C482-Y486 HydrophobicContact CB-CD2 4.09Å; C482-Y486 HydrophobicContact CB-CE2 3.77Å; C482-Y486 WeakPolarHBondContact O-CB 3.46Å; C482-Y486 WeakPolarHBondContact O-CD2 3.31Å; C482-Y486 PolarHBondContact O-N 2.95Å; L483-Y486 PolarHBondContact O-N 2.92Å; Y486-I489 PolarHBondContact O-N 3.49Å; Y486-A490 WeakPolarHBondContact O-CB 3.44Å; Y486-A490 PolarHBondContact O-N 2.99Å |
| 487 | S | 92.4 | Very high | 83.4 | Confident | 51 Ų | 51 | 82.8 Ų | 82.8 | 36% | 0.357 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 175.8 | 68.8 | 0 | 0 | 0 | 0 | 111.9 | L483 L484 L485 A490 T491 | L483-S487 WeakPolarHBondContact O-CB 3.48Å; L483-S487 PolarHBondContact O-N 3.36Å; L483-S487 PolarHBondContact O-OG 3.2Å; L484-S487 WeakPolarHBondContact CA-OG 3.47Å; L484-S487 PolarHBondContact O-N 2.9Å; L484-S487 PolarHBondContact O-OG 3.03Å; L485-S487 VanDerWaalsContact C-N 3.32Å; L485-S487 PolarHBondContact O-N 3.02Å; S487-A490 PolarHBondContact O-N 3.05Å; S487-T491 PolarHBondContact O-N 3.46Å; S487-T491 PolarHBondContact O-OG1 3.2Å |
| 488 | F | 93.8 | Very high | 85.5 | Confident | 35 Ų | 35 | 83.4 Ų | 83.4 | 15% | 0.154 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -70 | -35.6 | 177.1 | -89.3 | -95.2 | 0 | 0 | 0 | 112.8 | L484 L485 T491 G492 V516 W519 Y520 L523 | L484-F488 HydrophobicContact CD1-CD2 3.98Å; L484-F488 HydrophobicContact CD1-CE2 3.71Å; L484-F488 HydrophobicContact CG-CD2 4.16Å; L484-F488 HydrophobicContact CG-CE2 4.27Å; L484-F488 WeakPolarHBondContact O-CD2 3.29Å; L484-F488 PolarHBondContact O-N 3.28Å; L485-F488 PolarHBondContact O-N 3.31Å; F488-T491 PolarHBondContact O-N 3.5Å; F488-G492 PolarHBondContact O-N 3.47Å; F488-V516 HydrophobicContact CB-CG1 4.32Å; F488-V516 HydrophobicContact CD1-CG1 3.79Å; F488-V516 WeakPolarHBondContact CD1-O 3.25Å; F488-V516 WeakPolarHBondContact CE1-O 3.5Å; F488-V516 WeakPolarHBondContact O-CG1 3.36Å; F488-W519 HydrophobicContact CE1-CB 3.85Å; F488-W519 HydrophobicContact CZ-CB 4.23Å; F488-Y520 HydrophobicContact CB-CD2 4.4Å; F488-Y520 HydrophobicContact CD2-CD2 4.22Å; F488-Y520 HydrophobicContact CG-CD2 4.29Å; F488-Y520 HydrophobicContact CG-CG 4.5Å; F488-L523 HydrophobicContact CE2-CD1 3.8Å; F488-L523 HydrophobicContact CZ-CD1 3.65Å |
| 489 | I | 94.5 | Very high | 87.8 | Confident | 92 Ų | 92 | 73.7 Ų | 73.7 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.7 | -47 | 170.5 | -68.4 | 167.7 | 0 | 0 | 0 | 109.8 | L485 Y486 T491 G492 V493 | L485-I489 HydrophobicContact CD1-CD1 4.03Å; L485-I489 HydrophobicContact CD1-CG1 4.33Å; L485-I489 HydrophobicContact CG-CD1 3.9Å; L485-I489 VanDerWaalsContact O-CG1 3.29Å; L485-I489 WeakPolarHBondContact O-CG1 3.39Å; L485-I489 PolarHBondContact O-N 2.75Å; Y486-I489 PolarHBondContact O-N 3.49Å; I489-T491 PolarHBondContact O-N 3.14Å; I489-G492 PolarHBondContact O-N 3.45Å; I489-V493 WeakPolarHBondContact O-CG2 3.47Å; I489-V493 PolarHBondContact O-N 3.49Å |
| 490 | A | 95.3 | Very high | 89.3 | Confident | 48 Ų | 48 | 70.6 Ų | 70.6 | 40% | 0.397 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y486 S487 G492 V493 L494 | Y486-A490 WeakPolarHBondContact O-CB 3.44Å; Y486-A490 PolarHBondContact O-N 2.99Å; S487-A490 PolarHBondContact O-N 3.05Å; A490-G492 PolarHBondContact O-N 3.07Å; A490-V493 PolarHBondContact O-N 2.96Å; A490-L494 VanDerWaalsContact O-CG 3.31Å; A490-L494 WeakPolarHBondContact O-CG 3.37Å; A490-L494 PolarHBondContact O-N 3.11Å |
| 491 | T | 95.6 | Very high | 91.1 | Very high | 67 Ų | 67 | 71.2 Ų | 71.2 | 41% | 0.411 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.2 | -44.9 | 173.7 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | S487 F488 I489 V493 L494 V495 | S487-T491 PolarHBondContact O-N 3.46Å; S487-T491 PolarHBondContact O-OG1 3.2Å; F488-T491 PolarHBondContact O-N 3.5Å; I489-T491 PolarHBondContact O-N 3.14Å; T491-V493 VanDerWaalsContact C-N 3.35Å; T491-V493 PolarHBondContact O-N 3.39Å; T491-L494 PolarHBondContact O-N 3.06Å; T491-V495 HydrophobicContact CG2-CG2 4.45Å; T491-V495 WeakPolarHBondContact O-CG2 3.25Å; T491-V495 PolarHBondContact O-N 3.18Å |
| 492 | G | 96 | Very high | 92.4 | Very high | 14 Ų | 14 | 67.5 Ų | 67.5 | 14% | 0.144 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F488 I489 A490 V495 A496 L513 | F488-G492 PolarHBondContact O-N 3.47Å; I489-G492 PolarHBondContact O-N 3.45Å; A490-G492 PolarHBondContact O-N 3.07Å; G492-V495 PolarHBondContact O-N 3.05Å; G492-A496 WeakPolarHBondContact O-CB 3.28Å; G492-A496 PolarHBondContact O-N 2.91Å; G492-L513 VanDerWaalsContact O-CD2 3.31Å; G492-L513 WeakPolarHBondContact O-CD2 3.3Å |
| 493 | V | 96.6 | Very high | 93 | Very high | 82 Ų | 82 | 68.5 Ų | 68.5 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 174.8 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | I489 A490 T491 V495 A496 C497 | I489-V493 WeakPolarHBondContact O-CG2 3.47Å; I489-V493 PolarHBondContact O-N 3.49Å; A490-V493 PolarHBondContact O-N 2.96Å; T491-V493 VanDerWaalsContact C-N 3.35Å; T491-V493 PolarHBondContact O-N 3.39Å; V493-V495 PolarHBondContact O-N 3.08Å; V493-A496 PolarHBondContact O-N 2.93Å; V493-C497 WeakPolarHBondContact O-CB 3.19Å; V493-C497 PolarHBondContact O-N 3.19Å; V493-C497 PolarHBondContact O-SG 2.97Å |
| 494 | L | 96.4 | Very high | 93.3 | Very high | 121 Ų | 121 | 63.2 Ų | 63.2 | 63% | 0.634 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.3 | -43.3 | 177.5 | -72.8 | 170.8 | 0 | 0 | 0 | 112.2 | A490 T491 C497 F498 | A490-L494 VanDerWaalsContact O-CG 3.31Å; A490-L494 WeakPolarHBondContact O-CG 3.37Å; A490-L494 PolarHBondContact O-N 3.11Å; T491-L494 PolarHBondContact O-N 3.06Å; L494-C497 PolarHBondContact O-N 2.92Å; L494-F498 WeakPolarHBondContact O-CB 3.5Å; L494-F498 PolarHBondContact O-N 2.75Å |
| 495 | V | 95.8 | Very high | 93.4 | Very high | 34 Ų | 34 | 64.4 Ų | 64.4 | 21% | 0.206 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 174.9 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | T491 G492 V493 C497 F498 L499 C512 L513 | T491-V495 HydrophobicContact CG2-CG2 4.45Å; T491-V495 WeakPolarHBondContact O-CG2 3.25Å; T491-V495 PolarHBondContact O-N 3.18Å; G492-V495 PolarHBondContact O-N 3.05Å; V493-V495 PolarHBondContact O-N 3.08Å; V495-C497 PolarHBondContact O-N 3.09Å; V495-F498 PolarHBondContact O-N 3.41Å; V495-L499 HydrophobicContact CG1-CD1 4.17Å; V495-L499 WeakPolarHBondContact O-CG 3.35Å; V495-L499 PolarHBondContact O-N 2.88Å; V495-C512 HydrophobicContact CG1-CB 3.72Å; V495-L513 HydrophobicContact CB-CD2 3.94Å; V495-L513 HydrophobicContact CG1-CD2 3.76Å; V495-L513 HydrophobicContact CG1-CG 4.36Å |
| 496 | A | 95.7 | Very high | 93.5 | Very high | 29 Ų | 29 | 70.6 Ų | 70.6 | 24% | 0.24 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G492 V493 L499 M500 Y509 | G492-A496 WeakPolarHBondContact O-CB 3.28Å; G492-A496 PolarHBondContact O-N 2.91Å; V493-A496 PolarHBondContact O-N 2.93Å; A496-L499 PolarHBondContact O-N 3.41Å; A496-M500 WeakPolarHBondContact O-CB 3.47Å; A496-M500 PolarHBondContact O-N 2.98Å; A496-Y509 HydrophobicContact CB-CE1 4.49Å |
| 497 | C | 95.3 | Very high | 93.6 | Very high | 54 Ų | 54 | 64.4 Ų | 64.4 | 37% | 0.365 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 175 | -69.8 | 0 | 0 | 0 | 0 | 112 | V493 L494 V495 L499 M500 I501 | V493-C497 WeakPolarHBondContact O-CB 3.19Å; V493-C497 PolarHBondContact O-N 3.19Å; V493-C497 PolarHBondContact O-SG 2.97Å; L494-C497 PolarHBondContact O-N 2.92Å; V495-C497 PolarHBondContact O-N 3.09Å; C497-L499 PolarHBondContact O-N 2.83Å; C497-M500 PolarHBondContact O-N 3.12Å; C497-I501 WeakPolarHBondContact O-CD1 3.14Å; C497-I501 VanDerWaalsContact O-CG1 3.24Å; C497-I501 WeakPolarHBondContact O-CG1 2.98Å; C497-I501 PolarHBondContact O-N 3.41Å |
| 498 | F | 93.8 | Very high | 93.6 | Very high | 72 Ų | 72 | 63.1 Ų | 63.1 | 32% | 0.316 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 177.6 | 172.2 | -100 | 0 | 0 | 0 | 112.5 | L383 L386 F442 L494 V495 Q502 | L383-F498 HydrophobicContact CD1-CE2 4.4Å; L386-F498 HydrophobicContact CD1-CE2 3.84Å; L386-F498 HydrophobicContact CD1-CZ 4.03Å; F442-F498 HydrophobicContact CE2-CE1 4.23Å; F442-F498 HydrophobicContact CZ-CE1 4.09Å; L494-F498 WeakPolarHBondContact O-CB 3.5Å; L494-F498 PolarHBondContact O-N 2.75Å; V495-F498 PolarHBondContact O-N 3.41Å; F498-Q502 PolarHBondContact O-N 3.21Å; F498-Q502 PolarHBondContact O-NE2 3.26Å |
| 499 | L | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.9 | -36.9 | 176.1 | -66.8 | 175.7 | 0 | 0 | 0 | 112.1 | F442 V495 A496 C497 Q502 A503 C504 Y509 C512 | F442-L499 HydrophobicContact CE1-CD2 4.39Å; F442-L499 HydrophobicContact CZ-CD2 4.37Å; V495-L499 HydrophobicContact CG1-CD1 4.17Å; V495-L499 WeakPolarHBondContact O-CG 3.35Å; V495-L499 PolarHBondContact O-N 2.88Å; A496-L499 PolarHBondContact O-N 3.41Å; C497-L499 PolarHBondContact O-N 2.83Å; L499-Q502 PolarHBondContact O-N 3.42Å; L499-A503 PolarHBondContact O-N 3.16Å; L499-C504 HydrophobicContact CB-CB 4.28Å; L499-C504 HydrophobicContact CD2-CB 4.07Å; L499-C504 PolarHBondContact O-N 3.01Å; L499-Y509 HydrophobicContact CB-CD1 4.22Å; L499-Y509 HydrophobicContact CB-CD2 4.48Å; L499-Y509 HydrophobicContact CB-CE1 3.73Å; L499-Y509 HydrophobicContact CB-CE2 4.02Å; L499-Y509 HydrophobicContact CD1-CD1 3.84Å; L499-Y509 HydrophobicContact CD1-CD2 4.19Å; L499-Y509 HydrophobicContact CD1-CE1 4.22Å; L499-Y509 HydrophobicContact CD1-CG 3.84Å; L499-C512 HydrophobicContact CD1-CB 3.98Å |
| 500 | M | 93.4 | Very high | 93.7 | Very high | 127 Ų | 127 | 62.6 Ų | 62.6 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66.9 | -42.2 | 178.2 | -171.4 | -177.1 | 74.1 | 0 | 0 | 111.9 | A496 C497 Q502 A503 Y509 | A496-M500 WeakPolarHBondContact O-CB 3.47Å; A496-M500 PolarHBondContact O-N 2.98Å; C497-M500 PolarHBondContact O-N 3.12Å; M500-Q502 PolarHBondContact O-N 2.68Å; M500-A503 PolarHBondContact O-N 2.94Å; M500-A503 VanDerWaalsContact O-N 3.08Å; M500-Y509 WeakPolarHBondContact CA-OH 3.32Å; M500-Y509 PolarHBondContact N-OH 3.15Å; M500-Y509 VanDerWaalsContact N-OH 3.13Å |
| 501 | I | 92.3 | Very high | 93.7 | Very high | 111 Ų | 111 | 61 Ų | 61 | 57% | 0.569 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -61.4 | -33.6 | 178 | -71 | 164.3 | 0 | 0 | 0 | 111.7 | L383 C497 A503 | L383-I501 HydrophobicContact CD1-CG2 4.41Å; L383-I501 HydrophobicContact CD2-CG2 3.76Å; L383-I501 HydrophobicContact CG-CG2 4.34Å; C497-I501 WeakPolarHBondContact O-CD1 3.14Å; C497-I501 VanDerWaalsContact O-CG1 3.24Å; C497-I501 WeakPolarHBondContact O-CG1 2.98Å; C497-I501 PolarHBondContact O-N 3.41Å; I501-A503 VanDerWaalsContact C-N 3.34Å |
| 502 | Q | 91.1 | Very high | 93.7 | Very high | 23 Ų | 23 | 58 Ų | 58 | 11% | 0.107 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 8 | 178.2 | -73.6 | 176.4 | 97.8 | 0 | 0 | 113.6 | A381 L383 F498 L499 M500 C504 | A381-Q502 WeakPolarHBondContact O-CA 3.36Å; A381-Q502 WeakPolarHBondContact O-CB 3.28Å; L383-Q502 HydrophobicContact CD1-CG 4.44Å; L383-Q502 HydrophobicContact CG-CG 4.05Å; F498-Q502 PolarHBondContact O-N 3.21Å; F498-Q502 PolarHBondContact O-NE2 3.26Å; L499-Q502 PolarHBondContact O-N 3.42Å; M500-Q502 PolarHBondContact O-N 2.68Å; Q502-C504 PolarHBondContact O-N 2.86Å; Q502-C504 VanDerWaalsContact O-N 3.12Å |
| 503 | A | 89.2 | Confident | 93.7 | Very high | 86 Ų | 86 | 59.9 Ų | 59.9 | 71% | 0.711 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 38.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L499 M500 I501 | L499-A503 PolarHBondContact O-N 3.16Å; M500-A503 PolarHBondContact O-N 2.94Å; M500-A503 VanDerWaalsContact O-N 3.08Å; I501-A503 VanDerWaalsContact C-N 3.34Å |
| 504 | C | 89.9 | Confident | 93.7 | Very high | 24 Ų | 24 | 57.5 Ų | 57.5 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | trans | -64.9 | 151.3 | -178.1 | -63.8 | 0 | 0 | 0 | 0 | 111.8 | L499 Q502 Y508 | L499-C504 HydrophobicContact CB-CB 4.28Å; L499-C504 HydrophobicContact CD2-CB 4.07Å; L499-C504 PolarHBondContact O-N 3.01Å; Q502-C504 PolarHBondContact O-N 2.86Å; Q502-C504 VanDerWaalsContact O-N 3.12Å; C504-Y508 HydrophobicContact CB-CD2 3.81Å; C504-Y508 HydrophobicContact CB-CG 4.1Å | ||
| 505 | P | 89.8 | Confident | 93.6 | Very high | 71 Ų | 71 | 52.1 Ų | 52.1 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | trans | -57.4 | 153.3 | 173.7 | -23.2 | 33.4 | 0 | 0 | 0 | 112.7 | T507 Y508 Y509 | P505-T507 PolarHBondContact O-N 2.96Å; P505-T507 VanDerWaalsContact O-N 3.14Å; P505-Y508 HydrophobicContact CB-CD1 4.19Å; P505-Y508 HydrophobicContact CG-CD1 4.18Å; P505-Y508 HydrophobicContact CG-CE1 4.1Å; P505-Y508 WeakPolarHBondContact O-CB 3.34Å; P505-Y508 PolarHBondContact O-N 3.34Å; P505-Y509 WeakPolarHBondContact O-CD2 3.43Å | ||
| 506 | W | 91.5 | Very high | 93.6 | Very high | 193 Ų | 193 | 51.6 Ų | 51.6 | 73% | 0.731 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.9 | -30.1 | -178.2 | 72.9 | -92.7 | 0 | 0 | 0 | 113.4 | Y508 Y509 V510 | W506-Y508 PolarHBondContact O-N 2.92Å; W506-Y509 WeakPolarHBondContact O-CB 3.45Å; W506-Y509 PolarHBondContact O-N 3.49Å; W506-Y509 VanDerWaalsContact O-N 3.16Å; W506-V510 HydrophobicContact CE3-CG2 4.02Å; W506-V510 HydrophobicContact CZ3-CG2 3.84Å |
| 507 | T | 92.1 | Very high | 93.6 | Very high | 18 Ų | 18 | 53.9 Ų | 53.9 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.9 | -30.7 | 178.3 | 54.8 | 0 | 0 | 0 | 0 | 112.3 | D21 P505 Y509 V510 Y511 | D21-T507 WeakPolarHBondContact OD2-CB 3.35Å; D21-T507 VanDerWaalsContact OD2-CG2 3.31Å; D21-T507 WeakPolarHBondContact OD2-CG2 3.48Å; D21-T507 PolarHBondContact OD2-OG1 3.48Å; P505-T507 PolarHBondContact O-N 2.96Å; P505-T507 VanDerWaalsContact O-N 3.14Å; T507-Y509 PolarHBondContact O-N 3.33Å; T507-V510 WeakPolarHBondContact O-CB 3.32Å; T507-V510 PolarHBondContact O-N 3.49Å; T507-V510 VanDerWaalsContact O-N 3.07Å; T507-Y511 WeakPolarHBondContact O-CD2 3.34Å; T507-Y511 PolarHBondContact O-N 2.86Å; T507-Y511 VanDerWaalsContact O-N 3.14Å |
| 508 | Y | 93.6 | Very high | 93.6 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 9% | 0.094 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.9 | -33.7 | 177.4 | -76.4 | 36.3 | 0 | 0 | 0 | 111.1 | D439 F442 L443 C504 P505 W506 V510 Y511 C512 | D439-Y508 HydrophobicContact CB-CE2 4.13Å; D439-Y508 VanDerWaalsContact CB-OH 3.25Å; D439-Y508 WeakPolarHBondContact CB-OH 2.95Å; D439-Y508 PolarHBondContact OD2-OH 2.75Å; F442-Y508 HydrophobicContact CE1-CD2 4.42Å; L443-Y508 HydrophobicContact CD1-CD1 4.36Å; L443-Y508 HydrophobicContact CD1-CE1 3.69Å; L443-Y508 HydrophobicContact CD1-CE2 4.23Å; L443-Y508 HydrophobicContact CD2-CD1 4.02Å; L443-Y508 HydrophobicContact CD2-CD2 3.81Å; L443-Y508 HydrophobicContact CD2-CE1 4.1Å; L443-Y508 HydrophobicContact CD2-CE2 3.89Å; L443-Y508 HydrophobicContact CD2-CG 3.86Å; L443-Y508 HydrophobicContact CG-CE1 4.36Å; L443-Y508 HydrophobicContact CG-CE2 4.15Å; C504-Y508 HydrophobicContact CB-CD2 3.81Å; C504-Y508 HydrophobicContact CB-CG 4.1Å; P505-Y508 HydrophobicContact CB-CD1 4.19Å; P505-Y508 HydrophobicContact CG-CD1 4.18Å; P505-Y508 HydrophobicContact CG-CE1 4.1Å; P505-Y508 WeakPolarHBondContact O-CB 3.34Å; P505-Y508 PolarHBondContact O-N 3.34Å; W506-Y508 PolarHBondContact O-N 2.92Å; Y508-V510 VanDerWaalsContact C-N 3.32Å; Y508-Y511 PolarHBondContact O-N 3.26Å; Y508-C512 VanDerWaalsContact O-CB 3.32Å; Y508-C512 WeakPolarHBondContact O-CB 3.39Å; Y508-C512 PolarHBondContact O-N 2.95Å; Y508-C512 PolarHBondContact O-SG 3.22Å |
| 509 | Y | 95.6 | Very high | 93.7 | Very high | 64 Ų | 64 | 52 Ų | 52 | 25% | 0.251 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 175.5 | -66 | -103.9 | 0 | 0 | 0 | 110.7 | A496 L499 M500 P505 W506 T507 Y511 L513 | A496-Y509 HydrophobicContact CB-CE1 4.49Å; L499-Y509 HydrophobicContact CB-CD1 4.22Å; L499-Y509 HydrophobicContact CB-CD2 4.48Å; L499-Y509 HydrophobicContact CB-CE1 3.73Å; L499-Y509 HydrophobicContact CB-CE2 4.02Å; L499-Y509 HydrophobicContact CD1-CD1 3.84Å; L499-Y509 HydrophobicContact CD1-CD2 4.19Å; L499-Y509 HydrophobicContact CD1-CE1 4.22Å; L499-Y509 HydrophobicContact CD1-CG 3.84Å; M500-Y509 WeakPolarHBondContact CA-OH 3.32Å; M500-Y509 PolarHBondContact N-OH 3.15Å; M500-Y509 VanDerWaalsContact N-OH 3.13Å; P505-Y509 WeakPolarHBondContact O-CD2 3.43Å; W506-Y509 WeakPolarHBondContact O-CB 3.45Å; W506-Y509 PolarHBondContact O-N 3.49Å; W506-Y509 VanDerWaalsContact O-N 3.16Å; T507-Y509 PolarHBondContact O-N 3.33Å; Y509-Y511 PolarHBondContact O-N 3Å; Y509-L513 HydrophobicContact CD1-CD1 4.46Å; Y509-L513 WeakPolarHBondContact O-CB 3.28Å; Y509-L513 WeakPolarHBondContact O-CG 3.37Å; Y509-L513 PolarHBondContact O-N 3.32Å |
| 510 | V | 95.1 | Very high | 93.7 | Very high | 53 Ų | 53 | 54.1 Ų | 54.1 | 32% | 0.321 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60 | -49.1 | 176.4 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | V14 W506 T507 Y508 L514 | V14-V510 HydrophobicContact CG1-CG1 3.68Å; V14-V510 HydrophobicContact CG2-CG1 4.11Å; W506-V510 HydrophobicContact CE3-CG2 4.02Å; W506-V510 HydrophobicContact CZ3-CG2 3.84Å; T507-V510 WeakPolarHBondContact O-CB 3.32Å; T507-V510 PolarHBondContact O-N 3.49Å; T507-V510 VanDerWaalsContact O-N 3.07Å; Y508-V510 VanDerWaalsContact C-N 3.32Å; V510-L514 WeakPolarHBondContact O-CB 3.23Å; V510-L514 PolarHBondContact O-N 3.19Å; V510-L514 VanDerWaalsContact O-N 3.11Å |
| 511 | Y | 94.9 | Very high | 93.6 | Very high | 13 Ų | 13 | 48.7 Ų | 48.7 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -71.9 | -37.9 | -175.2 | -51.5 | -37.3 | 0 | 0 | 0 | 113.7 | V14 D21 L443 V447 T507 Y508 Y509 P515 | V14-Y511 HydrophobicContact CG1-CD1 3.78Å; V14-Y511 HydrophobicContact CG1-CE1 3.92Å; D21-Y511 HydrophobicContact CB-CE2 3.86Å; D21-Y511 WeakPolarHBondContact OD2-CE2 3.3Å; D21-Y511 PolarHBondContact OD2-OH 3.12Å; L443-Y511 HydrophobicContact CD2-CD2 4.24Å; V447-Y511 HydrophobicContact CG2-CG 4.44Å; T507-Y511 WeakPolarHBondContact O-CD2 3.34Å; T507-Y511 PolarHBondContact O-N 2.86Å; T507-Y511 VanDerWaalsContact O-N 3.14Å; Y508-Y511 PolarHBondContact O-N 3.26Å; Y509-Y511 PolarHBondContact O-N 3Å; Y511-P515 WeakPolarHBondContact O-CD 3.42Å |
| 512 | C | 95.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.027 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -83.9 | -28.2 | -177.7 | -57.4 | 0 | 0 | 0 | 0 | 112.8 | V495 L499 Y508 | V495-C512 HydrophobicContact CG1-CB 3.72Å; L499-C512 HydrophobicContact CD1-CB 3.98Å; Y508-C512 VanDerWaalsContact O-CB 3.32Å; Y508-C512 WeakPolarHBondContact O-CB 3.39Å; Y508-C512 PolarHBondContact O-N 2.95Å; Y508-C512 PolarHBondContact O-SG 3.22Å |
| 513 | L | 96.4 | Very high | 93.6 | Very high | 54 Ų | 54 | 45.8 Ų | 45.8 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -85.1 | -28.6 | 177.7 | -64.2 | 172.3 | 0 | 0 | 0 | 112.6 | G492 V495 Y509 P515 V516 P517 | G492-L513 VanDerWaalsContact O-CD2 3.31Å; G492-L513 WeakPolarHBondContact O-CD2 3.3Å; V495-L513 HydrophobicContact CB-CD2 3.94Å; V495-L513 HydrophobicContact CG1-CD2 3.76Å; V495-L513 HydrophobicContact CG1-CG 4.36Å; Y509-L513 HydrophobicContact CD1-CD1 4.46Å; Y509-L513 WeakPolarHBondContact O-CB 3.28Å; Y509-L513 WeakPolarHBondContact O-CG 3.37Å; Y509-L513 PolarHBondContact O-N 3.32Å; L513-P515 VanDerWaalsContact C-CD 3.49Å; L513-V516 WeakPolarHBondContact O-CB 3.47Å; L513-V516 PolarHBondContact O-N 3.08Å; L513-P517 WeakPolarHBondContact O-CD 3.35Å |
| 514 | L | 95.1 | Very high | 93.6 | Very high | 32 Ų | 32 | 46.4 Ų | 46.4 | 17% | 0.168 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -41.1 | -179.1 | 176.4 | 66.6 | 0 | 0 | 0 | 114.4 | I11 V14 F15 V510 V516 P517 I518 | I11-L514 HydrophobicContact CG1-CD1 4.22Å; I11-L514 HydrophobicContact CG2-CD2 4.44Å; V14-L514 HydrophobicContact CB-CD2 4.11Å; V14-L514 HydrophobicContact CG1-CD2 3.73Å; F15-L514 HydrophobicContact CD1-CD2 4.38Å; F15-L514 HydrophobicContact CE1-CD2 3.8Å; F15-L514 HydrophobicContact CZ-CD2 4.32Å; V510-L514 WeakPolarHBondContact O-CB 3.23Å; V510-L514 PolarHBondContact O-N 3.19Å; V510-L514 VanDerWaalsContact O-N 3.11Å; L514-V516 PolarHBondContact O-N 2.9Å; L514-P517 VanDerWaalsContact O-CD 3.25Å; L514-P517 WeakPolarHBondContact O-CD 3.33Å; L514-P517 WeakPolarHBondContact O-CG 3.34Å; L514-I518 HydrophobicContact CD1-CD1 3.92Å; L514-I518 HydrophobicContact CD2-CD1 4.49Å; L514-I518 HydrophobicContact CG-CD1 3.84Å; L514-I518 WeakPolarHBondContact O-CD1 3.27Å; L514-I518 WeakPolarHBondContact O-CG1 3.38Å |
| 515 | P | 96.1 | Very high | 93.4 | Very high | 9 Ų | 9 | 46.3 Ų | 46.3 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -29.2 | 176.8 | -24.3 | 33.7 | 0 | 0 | 0 | 113.7 | N446 V449 Y511 L513 I518 W519 | N446-P515 WeakPolarHBondContact O-CG 3.31Å; V449-P515 HydrophobicContact CG1-CB 4.13Å; Y511-P515 WeakPolarHBondContact O-CD 3.42Å; L513-P515 VanDerWaalsContact C-CD 3.49Å; P515-I518 PolarHBondContact O-N 3.08Å; P515-W519 WeakPolarHBondContact O-CB 3.23Å; P515-W519 VanDerWaalsContact O-CD1 3.25Å; P515-W519 PolarHBondContact O-N 3.32Å |
| 516 | V | 95.9 | Very high | 93.2 | Very high | 22 Ų | 22 | 47.6 Ų | 47.6 | 13% | 0.133 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.2 | -58.5 | -174.9 | -178.6 | 0 | 0 | 0 | 0 | 112.4 | F488 L513 L514 I518 W519 Y520 | F488-V516 HydrophobicContact CB-CG1 4.32Å; F488-V516 HydrophobicContact CD1-CG1 3.79Å; F488-V516 WeakPolarHBondContact CD1-O 3.25Å; F488-V516 WeakPolarHBondContact CE1-O 3.5Å; F488-V516 WeakPolarHBondContact O-CG1 3.36Å; L513-V516 WeakPolarHBondContact O-CB 3.47Å; L513-V516 PolarHBondContact O-N 3.08Å; L514-V516 PolarHBondContact O-N 2.9Å; V516-I518 VanDerWaalsContact C-N 3.29Å; V516-I518 PolarHBondContact O-N 2.88Å; V516-W519 PolarHBondContact O-N 3.32Å; V516-Y520 WeakPolarHBondContact O-CB 3.42Å; V516-Y520 PolarHBondContact O-N 2.82Å |
| 517 | P | 94.2 | Very high | 92.8 | Very high | 78 Ų | 78 | 44.7 Ų | 44.7 | 51% | 0.506 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.6 | -29.3 | 177.8 | 27.4 | -35.7 | 0 | 0 | 0 | 113.1 | L513 L514 A521 | L513-P517 WeakPolarHBondContact O-CD 3.35Å; L514-P517 VanDerWaalsContact O-CD 3.25Å; L514-P517 WeakPolarHBondContact O-CD 3.33Å; L514-P517 WeakPolarHBondContact O-CG 3.34Å; P517-A521 PolarHBondContact O-N 3.48Å |
| 518 | I | 94.9 | Very high | 92.5 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.3 | -50.3 | 177.4 | -66.4 | 174.8 | 0 | 0 | 0 | 110.2 | I11 W454 L514 P515 V516 Y520 A521 V522 | I11-I518 HydrophobicContact CD1-CD1 4.16Å; I11-I518 HydrophobicContact CD1-CG1 4.49Å; I11-I518 HydrophobicContact CG2-CD1 4.5Å; W454-I518 HydrophobicContact CB-CD1 4.43Å; W454-I518 HydrophobicContact CB-CG2 4.42Å; W454-I518 VanDerWaalsContact N-CG2 3.35Å; L514-I518 HydrophobicContact CD1-CD1 3.92Å; L514-I518 HydrophobicContact CD2-CD1 4.49Å; L514-I518 HydrophobicContact CG-CD1 3.84Å; L514-I518 WeakPolarHBondContact O-CD1 3.27Å; L514-I518 WeakPolarHBondContact O-CG1 3.38Å; P515-I518 PolarHBondContact O-N 3.08Å; V516-I518 VanDerWaalsContact C-N 3.29Å; V516-I518 PolarHBondContact O-N 2.88Å; I518-Y520 VanDerWaalsContact C-N 3.32Å; I518-Y520 PolarHBondContact O-N 3.04Å; I518-A521 WeakPolarHBondContact O-CA 3.48Å; I518-A521 WeakPolarHBondContact O-CB 3.45Å; I518-A521 PolarHBondContact O-N 3.11Å; I518-V522 WeakPolarHBondContact O-CG2 3.25Å; I518-V522 PolarHBondContact O-N 3.19Å |
| 519 | W | 95.9 | Very high | 92.1 | Very high | 74 Ų | 74 | 45.1 Ų | 45.1 | 28% | 0.28 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.1 | -30.8 | 179 | -81.1 | 102.6 | 0 | 0 | 0 | 112.6 | V449 V452 F488 P515 V516 A521 V522 L523 | V449-W519 VanDerWaalsContact CG1-NE1 3.31Å; V449-W519 PolarHBondContact O-NE1 3.31Å; V452-W519 HydrophobicContact CG1-CH2 4.33Å; V452-W519 HydrophobicContact CG1-CZ2 4.03Å; F488-W519 HydrophobicContact CE1-CB 3.85Å; F488-W519 HydrophobicContact CZ-CB 4.23Å; P515-W519 WeakPolarHBondContact O-CB 3.23Å; P515-W519 VanDerWaalsContact O-CD1 3.25Å; P515-W519 PolarHBondContact O-N 3.32Å; V516-W519 PolarHBondContact O-N 3.32Å; W519-A521 VanDerWaalsContact C-N 3.32Å; W519-A521 PolarHBondContact O-N 3.23Å; W519-V522 HydrophobicContact CE3-CB 4.11Å; W519-V522 HydrophobicContact CE3-CG1 4Å; W519-V522 HydrophobicContact CE3-CG2 4.4Å; W519-V522 HydrophobicContact CZ3-CG1 3.99Å; W519-V522 PolarHBondContact O-N 2.81Å; W519-L523 WeakPolarHBondContact O-CB 3.29Å; W519-L523 WeakPolarHBondContact O-CG 3.48Å; W519-L523 PolarHBondContact O-N 3.35Å |
| 520 | Y | 94.3 | Very high | 91.6 | Very high | 46 Ų | 46 | 46.7 Ų | 46.7 | 18% | 0.18 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.4 | -45 | 166.4 | 170.3 | -108.2 | 0 | 0 | 0 | 111.4 | L484 L485 F488 V516 I518 V522 L523 R524 | L484-Y520 HydrophobicContact CD2-CD2 4.25Å; L484-Y520 HydrophobicContact CD2-CE2 4.22Å; L484-Y520 HydrophobicContact CG-CD2 4.22Å; L484-Y520 HydrophobicContact CG-CE2 4.31Å; L485-Y520 HydrophobicContact CB-CE2 4.05Å; L485-Y520 HydrophobicContact CD1-CE1 4.24Å; L485-Y520 HydrophobicContact CD1-CE2 4.09Å; F488-Y520 HydrophobicContact CB-CD2 4.4Å; F488-Y520 HydrophobicContact CD2-CD2 4.22Å; F488-Y520 HydrophobicContact CG-CD2 4.29Å; F488-Y520 HydrophobicContact CG-CG 4.5Å; V516-Y520 WeakPolarHBondContact O-CB 3.42Å; V516-Y520 PolarHBondContact O-N 2.82Å; I518-Y520 VanDerWaalsContact C-N 3.32Å; I518-Y520 PolarHBondContact O-N 3.04Å; Y520-V522 PolarHBondContact O-N 2.59Å; Y520-L523 PolarHBondContact O-N 2.88Å; Y520-R524 VanDerWaalsContact O-CB 3.31Å; Y520-R524 WeakPolarHBondContact O-CB 3.38Å; Y520-R524 PolarHBondContact O-N 2.95Å |
| 521 | A | 91.4 | Very high | 91.1 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.4 | -36.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y457 P517 I518 W519 | Y457-A521 HydrophobicContact CD2-CB 3.8Å; Y457-A521 HydrophobicContact CE2-CB 3.63Å; Y457-A521 HydrophobicContact CG-CB 4.36Å; P517-A521 PolarHBondContact O-N 3.48Å; I518-A521 WeakPolarHBondContact O-CA 3.48Å; I518-A521 WeakPolarHBondContact O-CB 3.45Å; I518-A521 PolarHBondContact O-N 3.11Å; W519-A521 VanDerWaalsContact C-N 3.32Å; W519-A521 PolarHBondContact O-N 3.23Å |
| 522 | V | 92.4 | Very high | 90.6 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.1 | -56.3 | 172.4 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | G453 L460 I518 W519 Y520 R524 E525 I529 | G453-V522 WeakPolarHBondContact O-CG2 3.41Å; L460-V522 HydrophobicContact CD1-CB 4.49Å; L460-V522 HydrophobicContact CD1-CG1 3.81Å; I518-V522 WeakPolarHBondContact O-CG2 3.25Å; I518-V522 PolarHBondContact O-N 3.19Å; W519-V522 HydrophobicContact CE3-CB 4.11Å; W519-V522 HydrophobicContact CE3-CG1 4Å; W519-V522 HydrophobicContact CE3-CG2 4.4Å; W519-V522 HydrophobicContact CZ3-CG1 3.99Å; W519-V522 PolarHBondContact O-N 2.81Å; Y520-V522 PolarHBondContact O-N 2.59Å; V522-R524 PolarHBondContact O-N 2.94Å; V522-E525 PolarHBondContact O-N 3Å; V522-I529 HydrophobicContact CG1-CD1 4.15Å |
| 523 | L | 91.5 | Very high | 90 | Very high | 68 Ų | 68 | 50.5 Ų | 50.5 | 36% | 0.356 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.6 | -21.4 | -175.1 | -65.7 | -176.8 | 0 | 0 | 0 | 113.2 | L484 F488 W519 Y520 E525 H526 | L484-L523 HydrophobicContact CD2-CB 4.29Å; F488-L523 HydrophobicContact CE2-CD1 3.8Å; F488-L523 HydrophobicContact CZ-CD1 3.65Å; W519-L523 WeakPolarHBondContact O-CB 3.29Å; W519-L523 WeakPolarHBondContact O-CG 3.48Å; W519-L523 PolarHBondContact O-N 3.35Å; Y520-L523 PolarHBondContact O-N 2.88Å; L523-E525 PolarHBondContact O-N 2.68Å; L523-H526 WeakPolarHBondContact O-CB 3.3Å; L523-H526 PolarHBondContact O-N 3.33Å |
| 524 | R | 88.6 | Confident | 89.5 | Confident | 98 Ų | 98 | 53.8 Ų | 53.8 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.2 | -30.1 | 171.1 | -169.3 | -178.6 | 70.8 | -166.3 | -2 | 111.9 | Y520 V522 H526 | Y520-R524 VanDerWaalsContact O-CB 3.31Å; Y520-R524 WeakPolarHBondContact O-CB 3.38Å; Y520-R524 PolarHBondContact O-N 2.95Å; V522-R524 PolarHBondContact O-N 2.94Å; R524-H526 PolarHBondContact O-N 3Å |
| 525 | E | 87.4 | Confident | 88.8 | Confident | 23 Ų | 23 | 54.4 Ų | 54.4 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 33.8 | 177.7 | -55.1 | -63.2 | 153.4 | 0 | 0 | 112.1 | L460 K464 V522 L523 E527 V528 I529 | L460-E525 HydrophobicContact CD1-CB 4.39Å; K464-E525 IonicContact NZ-OE1 3.68Å; K464-E525 IonicContact NZ-OE2 3.15Å; K464-E525 PolarHBondContact NZ-OE2 3.47Å; V522-E525 PolarHBondContact O-N 3Å; L523-E525 PolarHBondContact O-N 2.68Å; E525-E527 VanDerWaalsContact C-N 3.27Å; E525-E527 PolarHBondContact O-N 3.3Å; E525-V528 PolarHBondContact O-N 3.46Å; E525-I529 PolarHBondContact O-N 3.25Å |
| 526 | H | 84.3 | Confident | 88 | Confident | 97 Ų | 97 | 58 Ų | 58 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -53.9 | -37.9 | -175.5 | -174 | -92.9 | 0 | 0 | 0 | 114.1 | L523 R524 V528 I529 Q530 | L523-H526 WeakPolarHBondContact O-CB 3.3Å; L523-H526 PolarHBondContact O-N 3.33Å; R524-H526 PolarHBondContact O-N 3Å; H526-V528 VanDerWaalsContact C-N 3.33Å; H526-V528 PolarHBondContact O-N 3.32Å; H526-I529 WeakPolarHBondContact O-CB 3.36Å; H526-I529 PolarHBondContact O-N 3.4Å; H526-Q530 PolarHBondContact CE1-NE2 3.2Å; H526-Q530 VanDerWaalsContact ND1-CD 3.3Å; H526-Q530 PolarHBondContact ND1-OE1 3.18Å; H526-Q530 WeakPolarHBondContact O-CG 3.41Å; H526-Q530 PolarHBondContact O-N 3.37Å |
| 527 | E | 83.9 | Confident | 87.3 | Confident | 133 Ų | 133 | 63.4 Ų | 63.4 | 62% | 0.621 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.8 | -43.5 | 177.8 | -63.3 | -178.2 | 167.4 | 0 | 0 | 111.4 | E525 I529 Q530 D531 | E525-E527 VanDerWaalsContact C-N 3.27Å; E525-E527 PolarHBondContact O-N 3.3Å; E527-I529 VanDerWaalsContact C-N 3.32Å; E527-I529 PolarHBondContact O-N 3.02Å; E527-Q530 PolarHBondContact O-N 3.05Å; E527-D531 PolarHBondContact O-N 3Å |
| 528 | V | 85.1 | Confident | 86.7 | Confident | 10 Ų | 10 | 65.3 Ų | 65.3 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.3 | -35.8 | 177.3 | -175.9 | 0 | 0 | 0 | 0 | 111 | L460 I463 K464 E525 H526 L532 | L460-V528 HydrophobicContact CD2-CB 4.48Å; L460-V528 HydrophobicContact CD2-CG1 4.03Å; I463-V528 HydrophobicContact CG2-CG1 3.97Å; K464-V528 HydrophobicContact CB-CG1 4.44Å; K464-V528 HydrophobicContact CB-CG2 4.29Å; K464-V528 HydrophobicContact CD-CG2 4.22Å; K464-V528 HydrophobicContact CG-CG2 4.22Å; E525-V528 PolarHBondContact O-N 3.46Å; H526-V528 VanDerWaalsContact C-N 3.33Å; H526-V528 PolarHBondContact O-N 3.32Å; V528-L532 VanDerWaalsContact O-CB 3.27Å; V528-L532 WeakPolarHBondContact O-CB 3.3Å; V528-L532 PolarHBondContact O-N 2.91Å |
| 529 | I | 85.9 | Confident | 86 | Confident | 41 Ų | 41 | 68 Ų | 68 | 21% | 0.21 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 175.3 | -63.2 | 170.8 | 0 | 0 | 0 | 110.4 | L460 V522 E525 H526 E527 L532 V533 | L460-I529 HydrophobicContact CD1-CD1 3.94Å; L460-I529 HydrophobicContact CD1-CG1 3.76Å; L460-I529 HydrophobicContact CD2-CG1 3.75Å; L460-I529 HydrophobicContact CG-CG1 4.43Å; V522-I529 HydrophobicContact CG1-CD1 4.15Å; E525-I529 PolarHBondContact O-N 3.25Å; H526-I529 WeakPolarHBondContact O-CB 3.36Å; H526-I529 PolarHBondContact O-N 3.4Å; E527-I529 VanDerWaalsContact C-N 3.32Å; E527-I529 PolarHBondContact O-N 3.02Å; I529-L532 PolarHBondContact O-N 3.05Å; I529-V533 HydrophobicContact CG2-CG2 4.36Å; I529-V533 VanDerWaalsContact O-CG2 3.31Å; I529-V533 WeakPolarHBondContact O-CG2 3.26Å; I529-V533 PolarHBondContact O-N 3.21Å |
| 530 | Q | 85.1 | Confident | 85.5 | Confident | 96 Ų | 96 | 67.5 Ų | 67.5 | 45% | 0.449 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.2 | -49.7 | 177.1 | -72.9 | -178.6 | -58.1 | 0 | 0 | 111.2 | H526 E527 L532 V533 E534 | H526-Q530 PolarHBondContact CE1-NE2 3.2Å; H526-Q530 VanDerWaalsContact ND1-CD 3.3Å; H526-Q530 PolarHBondContact ND1-OE1 3.18Å; H526-Q530 WeakPolarHBondContact O-CG 3.41Å; H526-Q530 PolarHBondContact O-N 3.37Å; E527-Q530 PolarHBondContact O-N 3.05Å; Q530-L532 VanDerWaalsContact C-N 3.26Å; Q530-L532 PolarHBondContact O-N 3.45Å; Q530-V533 PolarHBondContact O-N 3.33Å; Q530-V533 VanDerWaalsContact O-N 3.17Å; Q530-E534 WeakPolarHBondContact O-CG 3.29Å; Q530-E534 PolarHBondContact O-N 3.11Å |
| 531 | D | 83.8 | Confident | 84.9 | Confident | 37 Ų | 37 | 75.4 Ų | 75.4 | 20% | 0.198 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.8 | -38.9 | 177.4 | -69 | -23.6 | 0 | 0 | 0 | 111.6 | I469 P470 E527 S535 | I469-D531 HydrophobicContact CG2-CB 3.9Å; P470-D531 WeakPolarHBondContact CA-OD2 3.36Å; E527-D531 PolarHBondContact O-N 3Å; D531-S535 WeakPolarHBondContact O-CB 3.44Å; D531-S535 PolarHBondContact O-N 3.45Å |
| 532 | L | 84.3 | Confident | 84.5 | Confident | 42 Ų | 42 | 79 Ų | 79 | 22% | 0.22 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 175.6 | 178.2 | 63 | 0 | 0 | 0 | 112.3 | L460 I463 I469 V528 I529 Q530 S535 L536 | L460-L532 HydrophobicContact CD2-CD2 4.47Å; I463-L532 HydrophobicContact CD1-CD1 4.11Å; I463-L532 HydrophobicContact CD1-CD2 3.94Å; I469-L532 HydrophobicContact CD1-CD1 4.15Å; V528-L532 VanDerWaalsContact O-CB 3.27Å; V528-L532 WeakPolarHBondContact O-CB 3.3Å; V528-L532 PolarHBondContact O-N 2.91Å; I529-L532 PolarHBondContact O-N 3.05Å; Q530-L532 VanDerWaalsContact C-N 3.26Å; Q530-L532 PolarHBondContact O-N 3.45Å; L532-S535 PolarHBondContact O-N 3.22Å; L532-L536 HydrophobicContact CD1-CD1 4.29Å; L532-L536 HydrophobicContact CD1-CG 4.31Å; L532-L536 HydrophobicContact CG-CD1 4.09Å; L532-L536 WeakPolarHBondContact O-CG 3.45Å; L532-L536 PolarHBondContact O-N 3.08Å |
| 533 | V | 84.6 | Confident | 84 | Confident | 71 Ų | 71 | 83.4 Ų | 83.4 | 43% | 0.43 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 179.6 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | I529 Q530 S535 L536 L537 | I529-V533 HydrophobicContact CG2-CG2 4.36Å; I529-V533 VanDerWaalsContact O-CG2 3.31Å; I529-V533 WeakPolarHBondContact O-CG2 3.26Å; I529-V533 PolarHBondContact O-N 3.21Å; Q530-V533 PolarHBondContact O-N 3.33Å; Q530-V533 VanDerWaalsContact O-N 3.17Å; V533-S535 VanDerWaalsContact C-N 3.31Å; V533-S535 PolarHBondContact O-N 2.73Å; V533-L536 PolarHBondContact O-N 3.4Å; V533-L536 VanDerWaalsContact O-N 3.17Å; V533-L537 HydrophobicContact CG1-CD1 3.98Å; V533-L537 HydrophobicContact CG1-CG 4.35Å; V533-L537 VanDerWaalsContact O-CG 3.3Å; V533-L537 WeakPolarHBondContact O-CG 3.26Å; V533-L537 PolarHBondContact O-N 3.37Å |
| 534 | E | 84.8 | Confident | 83.5 | Confident | 124 Ų | 124 | 85.1 Ų | 85.1 | 58% | 0.579 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.9 | -41 | 174.6 | -71.5 | -177.1 | -172.4 | 0 | 0 | 111.7 | Q530 L536 L537 T538 | Q530-E534 WeakPolarHBondContact O-CG 3.29Å; Q530-E534 PolarHBondContact O-N 3.11Å; E534-L536 PolarHBondContact O-N 2.67Å; E534-L537 PolarHBondContact O-N 2.97Å; E534-T538 WeakPolarHBondContact O-CG2 3.22Å; E534-T538 PolarHBondContact O-N 3.19Å; E534-T538 PolarHBondContact O-OG1 2.96Å |
| 535 | S | 80.4 | Confident | 83.3 | Confident | 44 Ų | 44 | 84.1 Ų | 84.1 | 31% | 0.308 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.9 | -34.4 | 174.4 | -171.1 | 0 | 0 | 0 | 0 | 113.1 | D531 L532 V533 T538 F539 | D531-S535 WeakPolarHBondContact O-CB 3.44Å; D531-S535 PolarHBondContact O-N 3.45Å; L532-S535 PolarHBondContact O-N 3.22Å; V533-S535 VanDerWaalsContact C-N 3.31Å; V533-S535 PolarHBondContact O-N 2.73Å; S535-T538 WeakPolarHBondContact CA-OG1 3.4Å; S535-T538 PolarHBondContact O-OG1 3.29Å; S535-F539 PolarHBondContact O-N 3.47Å |
| 536 | L | 79.2 | Confident | 83.2 | Confident | 86 Ų | 86 | 85.3 Ų | 85.3 | 45% | 0.45 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -73.4 | -38.1 | 176.9 | -74.6 | 171 | 0 | 0 | 0 | 111.9 | L532 V533 E534 T538 F539 | L532-L536 HydrophobicContact CD1-CD1 4.29Å; L532-L536 HydrophobicContact CD1-CG 4.31Å; L532-L536 HydrophobicContact CG-CD1 4.09Å; L532-L536 WeakPolarHBondContact O-CG 3.45Å; L532-L536 PolarHBondContact O-N 3.08Å; V533-L536 PolarHBondContact O-N 3.4Å; V533-L536 VanDerWaalsContact O-N 3.17Å; E534-L536 PolarHBondContact O-N 2.67Å; L536-T538 PolarHBondContact O-N 3.48Å; L536-F539 VanDerWaalsContact O-CB 3.28Å; L536-F539 WeakPolarHBondContact O-CB 3.42Å; L536-F539 PolarHBondContact O-N 3.42Å; L536-F539 VanDerWaalsContact O-N 3.1Å |
| 537 | L | 81.7 | Confident | 83 | Confident | 134 Ų | 134 | 84.3 Ų | 84.3 | 70% | 0.702 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.4 | -27.7 | 177.5 | -72.4 | 172.3 | 0 | 0 | 0 | 112.8 | V533 E534 F539 | V533-L537 HydrophobicContact CG1-CD1 3.98Å; V533-L537 HydrophobicContact CG1-CG 4.35Å; V533-L537 VanDerWaalsContact O-CG 3.3Å; V533-L537 WeakPolarHBondContact O-CG 3.26Å; V533-L537 PolarHBondContact O-N 3.37Å; E534-L537 PolarHBondContact O-N 2.97Å; L537-F539 VanDerWaalsContact C-N 3.35Å |
| 538 | T | 82.1 | Confident | 83 | Confident | 118 Ų | 118 | 82.7 Ų | 82.7 | 72% | 0.724 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -8.7 | 174.7 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | E534 S535 L536 | E534-T538 WeakPolarHBondContact O-CG2 3.22Å; E534-T538 PolarHBondContact O-N 3.19Å; E534-T538 PolarHBondContact O-OG1 2.96Å; S535-T538 WeakPolarHBondContact CA-OG1 3.4Å; S535-T538 PolarHBondContact O-OG1 3.29Å; L536-T538 PolarHBondContact O-N 3.48Å |
| 539 | F | 78.6 | Confident | 83.1 | Confident | 67 Ų | 67 | 87.7 Ų | 87.7 | 29% | 0.294 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -76.2 | 139.5 | 178.9 | -158.2 | -99.6 | 0 | 0 | 0 | 111.2 | S535 L536 L537 R541 H543 F544 Y547 | S535-F539 PolarHBondContact O-N 3.47Å; L536-F539 VanDerWaalsContact O-CB 3.28Å; L536-F539 WeakPolarHBondContact O-CB 3.42Å; L536-F539 PolarHBondContact O-N 3.42Å; L536-F539 VanDerWaalsContact O-N 3.1Å; L537-F539 VanDerWaalsContact C-N 3.35Å; F539-R541 PolarHBondContact O-N 3.16Å; F539-H543 HydrophobicContact CE1-CB 3.79Å; F539-H543 HydrophobicContact CZ-CB 4.46Å; F539-F544 HydrophobicContact CD1-CB 4.2Å; F539-Y547 HydrophobicContact CE1-CD2 4.24Å; F539-Y547 HydrophobicContact CE1-CE2 4.06Å; F539-Y547 HydrophobicContact CZ-CE2 4.06Å |
| 540 | P | 85.2 | Confident | 83 | Confident | 65 Ų | 65 | 89.7 Ų | 89.7 | 42% | 0.422 | 47% | 0.471 | S | S | . | . | trans | -61.4 | 122.1 | -178.6 | 21.3 | -31.5 | 0 | 0 | 0 | 112 | S542 H543 F544 | P540-S542 VanDerWaalsContact C-N 3.28Å; P540-S542 PolarHBondContact O-N 3.32Å; P540-H543 HydrophobicContact CG-CB 4.15Å; P540-H543 PolarHBondContact O-N 2.82Å; P540-H543 VanDerWaalsContact O-N 3.14Å; P540-F544 PolarHBondContact O-N 3.09Å; P540-F544 VanDerWaalsContact O-N 3.09Å | ||
| 541 | R | 82.8 | Confident | 82.9 | Confident | 212 Ų | 212 | 88.7 Ų | 88.7 | 80% | 0.8 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -57.2 | -36.4 | -174 | -67.7 | -176.2 | 176.2 | 138.2 | 0.1 | 113.6 | F539 F544 V545 | F539-R541 PolarHBondContact O-N 3.16Å; R541-F544 PolarHBondContact O-N 2.85Å; R541-V545 VanDerWaalsContact O-CG2 3.31Å; R541-V545 WeakPolarHBondContact O-CG2 3.33Å; R541-V545 PolarHBondContact O-N 3.09Å |
| 542 | S | 83.6 | Confident | 83 | Confident | 87 Ų | 87 | 90.7 Ų | 90.7 | 61% | 0.608 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.1 | -44.7 | 178.1 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | P540 A546 | P540-S542 VanDerWaalsContact C-N 3.28Å; P540-S542 PolarHBondContact O-N 3.32Å; S542-A546 WeakPolarHBondContact O-CB 3.28Å; S542-A546 PolarHBondContact O-N 3.12Å |
| 543 | H | 80.9 | Confident | 83.1 | Confident | 99 Ų | 99 | 94.3 Ų | 94.3 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 176.5 | -71.8 | -77 | 0 | 0 | 0 | 111.4 | F539 P540 V545 A546 Y547 | F539-H543 HydrophobicContact CE1-CB 3.79Å; F539-H543 HydrophobicContact CZ-CB 4.46Å; P540-H543 HydrophobicContact CG-CB 4.15Å; P540-H543 PolarHBondContact O-N 2.82Å; P540-H543 VanDerWaalsContact O-N 3.14Å; H543-V545 PolarHBondContact O-N 3.36Å; H543-A546 PolarHBondContact O-N 2.94Å; H543-Y547 HydrophobicContact CB-CD2 4.42Å; H543-Y547 HydrophobicContact CB-CE2 4.12Å; H543-Y547 WeakPolarHBondContact O-CD2 3.39Å; H543-Y547 PolarHBondContact O-N 3.33Å |
| 544 | F | 80.7 | Confident | 83 | Confident | 103 Ų | 103 | 91.3 Ų | 91.3 | 45% | 0.452 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.8 | -48.8 | 175.4 | -178.6 | -100.8 | 0 | 0 | 0 | 112.1 | F539 P540 R541 A546 Y547 L548 | F539-F544 HydrophobicContact CD1-CB 4.2Å; P540-F544 PolarHBondContact O-N 3.09Å; P540-F544 VanDerWaalsContact O-N 3.09Å; R541-F544 PolarHBondContact O-N 2.85Å; F544-A546 PolarHBondContact O-N 3.49Å; F544-Y547 PolarHBondContact O-N 3.1Å; F544-L548 WeakPolarHBondContact O-CB 3.39Å; F544-L548 PolarHBondContact O-N 3.31Å |
| 545 | V | 85.3 | Confident | 83 | Confident | 78 Ų | 78 | 89.6 Ų | 89.6 | 47% | 0.473 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 176.7 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | R541 H543 L548 L549 | R541-V545 VanDerWaalsContact O-CG2 3.31Å; R541-V545 WeakPolarHBondContact O-CG2 3.33Å; R541-V545 PolarHBondContact O-N 3.09Å; H543-V545 PolarHBondContact O-N 3.36Å; V545-L548 PolarHBondContact O-N 3.34Å; V545-L549 HydrophobicContact CG1-CD1 4.03Å; V545-L549 HydrophobicContact CG1-CG 4.41Å; V545-L549 WeakPolarHBondContact O-CG 3.41Å; V545-L549 PolarHBondContact O-N 3.5Å |
| 546 | A | 84.4 | Confident | 83.4 | Confident | 48 Ų | 48 | 92.1 Ų | 92.1 | 40% | 0.397 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S542 H543 F544 L549 V550 | S542-A546 WeakPolarHBondContact O-CB 3.28Å; S542-A546 PolarHBondContact O-N 3.12Å; H543-A546 PolarHBondContact O-N 2.94Å; F544-A546 PolarHBondContact O-N 3.49Å; A546-L549 PolarHBondContact O-N 3.31Å; A546-V550 WeakPolarHBondContact O-CG2 3.3Å; A546-V550 PolarHBondContact O-N 3.15Å |
| 547 | Y | 81.4 | Confident | 83.7 | Confident | 76 Ų | 76 | 89.5 Ų | 89.5 | 30% | 0.298 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 175.5 | -72.1 | -57.1 | 0 | 0 | 0 | 111.4 | F539 H543 F544 L549 V550 F551 I784 | F539-Y547 HydrophobicContact CE1-CD2 4.24Å; F539-Y547 HydrophobicContact CE1-CE2 4.06Å; F539-Y547 HydrophobicContact CZ-CE2 4.06Å; H543-Y547 HydrophobicContact CB-CD2 4.42Å; H543-Y547 HydrophobicContact CB-CE2 4.12Å; H543-Y547 WeakPolarHBondContact O-CD2 3.39Å; H543-Y547 PolarHBondContact O-N 3.33Å; F544-Y547 PolarHBondContact O-N 3.1Å; Y547-L549 VanDerWaalsContact C-N 3.32Å; Y547-L549 PolarHBondContact O-N 2.94Å; Y547-V550 PolarHBondContact O-N 3.34Å; Y547-F551 WeakPolarHBondContact O-CD2 3.45Å; Y547-F551 PolarHBondContact O-N 3.38Å; Y547-I784 HydrophobicContact CD1-CD1 4.2Å; Y547-I784 HydrophobicContact CE1-CD1 4.15Å; Y547-I784 HydrophobicContact CG-CD1 4.5Å |
| 548 | L | 84.1 | Confident | 83.7 | Confident | 98 Ų | 98 | 83.3 Ų | 83.3 | 51% | 0.513 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -56.5 | -46.7 | 178.1 | -175 | 67.3 | 0 | 0 | 0 | 111.4 | F544 V545 V550 F551 T552 | F544-L548 WeakPolarHBondContact O-CB 3.39Å; F544-L548 PolarHBondContact O-N 3.31Å; V545-L548 PolarHBondContact O-N 3.34Å; L548-V550 PolarHBondContact O-N 2.7Å; L548-F551 PolarHBondContact O-N 3.45Å; L548-T552 PolarHBondContact O-N 3.46Å; L548-T552 PolarHBondContact O-OG1 3.5Å; L548-T552 VanDerWaalsContact O-OG1 3.04Å |
| 549 | L | 86.9 | Confident | 83.9 | Confident | 115 Ų | 115 | 80.7 Ų | 80.7 | 60% | 0.602 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60.3 | -44.7 | 177.3 | -73.2 | 171 | 0 | 0 | 0 | 112.3 | V545 A546 Y547 T552 L553 | V545-L549 HydrophobicContact CG1-CD1 4.03Å; V545-L549 HydrophobicContact CG1-CG 4.41Å; V545-L549 WeakPolarHBondContact O-CG 3.41Å; V545-L549 PolarHBondContact O-N 3.5Å; A546-L549 PolarHBondContact O-N 3.31Å; Y547-L549 VanDerWaalsContact C-N 3.32Å; Y547-L549 PolarHBondContact O-N 2.94Å; L549-T552 PolarHBondContact O-N 3.37Å; L549-L553 WeakPolarHBondContact O-CB 3.49Å; L549-L553 PolarHBondContact O-N 2.86Å |
| 550 | V | 83.2 | Confident | 84.4 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 51% | 0.509 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 177.9 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | A546 Y547 L548 G554 F788 | A546-V550 WeakPolarHBondContact O-CG2 3.3Å; A546-V550 PolarHBondContact O-N 3.15Å; Y547-V550 PolarHBondContact O-N 3.34Å; L548-V550 PolarHBondContact O-N 2.7Å; V550-G554 PolarHBondContact O-N 3.35Å; V550-F788 HydrophobicContact CG1-CE1 4.33Å; V550-F788 HydrophobicContact CG1-CE2 4.4Å; V550-F788 HydrophobicContact CG1-CZ 3.83Å |
| 551 | F | 82.3 | Confident | 84.5 | Confident | 75 Ų | 75 | 77.3 Ų | 77.3 | 33% | 0.329 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.6 | -47.8 | 175.2 | -84 | -69.8 | 0 | 0 | 0 | 112.2 | Y547 L548 L553 G554 I555 I784 F788 | Y547-F551 WeakPolarHBondContact O-CD2 3.45Å; Y547-F551 PolarHBondContact O-N 3.38Å; L548-F551 PolarHBondContact O-N 3.45Å; F551-L553 VanDerWaalsContact C-N 3.33Å; F551-L553 PolarHBondContact O-N 3.01Å; F551-G554 PolarHBondContact O-N 3.08Å; F551-I555 WeakPolarHBondContact O-CG1 3.37Å; F551-I555 PolarHBondContact O-N 3.02Å; F551-I784 HydrophobicContact CE1-CG2 4.5Å; F551-I784 HydrophobicContact CE2-CG2 3.91Å; F551-I784 HydrophobicContact CZ-CG2 3.54Å; F551-F788 HydrophobicContact CB-CZ 4.33Å; F551-F788 HydrophobicContact CD1-CE1 4.05Å; F551-F788 AromaticContact CD1-CE2 3.54Å; F551-F788 HydrophobicContact CD1-CE2 3.54Å; F551-F788 AromaticContact CD1-CZ 3.22Å; F551-F788 HydrophobicContact CD1-CZ 3.22Å; F551-F788 HydrophobicContact CD2-CE2 4.27Å; F551-F788 HydrophobicContact CD2-CZ 4.24Å; F551-F788 AromaticContact CE1-CD2 3.99Å; F551-F788 HydrophobicContact CE1-CD2 3.99Å; F551-F788 HydrophobicContact CE1-CE1 4.36Å; F551-F788 AromaticContact CE1-CE2 3.21Å; F551-F788 HydrophobicContact CE1-CE2 3.21Å; F551-F788 AromaticContact CE1-CZ 3.45Å; F551-F788 HydrophobicContact CE1-CZ 3.45Å; F551-F788 VanDerWaalsContact CE1-CZ 3.45Å; F551-F788 AromaticContact CE2-CE2 3.98Å; F551-F788 HydrophobicContact CE2-CE2 3.98Å; F551-F788 HydrophobicContact CE2-CZ 4.41Å; F551-F788 HydrophobicContact CG-CE2 4.07Å; F551-F788 AromaticContact CG-CZ 3.66Å; F551-F788 HydrophobicContact CG-CZ 3.66Å; F551-F788 HydrophobicContact CZ-CD2 4.29Å; F551-F788 AromaticContact CZ-CE2 3.47Å; F551-F788 HydrophobicContact CZ-CE2 3.47Å; F551-F788 VanDerWaalsContact CZ-CE2 3.47Å; F551-F788 HydrophobicContact CZ-CZ 4.06Å |
| 552 | T | 86.3 | Confident | 84.4 | Confident | 79 Ų | 79 | 73.6 Ų | 73.6 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 177.6 | -58 | 0 | 0 | 0 | 0 | 110.9 | L548 L549 G554 I555 E556 | L548-T552 PolarHBondContact O-N 3.46Å; L548-T552 PolarHBondContact O-OG1 3.5Å; L548-T552 VanDerWaalsContact O-OG1 3.04Å; L549-T552 PolarHBondContact O-N 3.37Å; T552-G554 PolarHBondContact O-N 3.22Å; T552-I555 PolarHBondContact O-N 3.14Å; T552-E556 WeakPolarHBondContact O-CB 3.49Å; T552-E556 PolarHBondContact O-N 3.01Å |
| 553 | L | 85.9 | Confident | 84.4 | Confident | 118 Ų | 118 | 76.7 Ų | 76.7 | 62% | 0.618 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.9 | -43.7 | 176 | -176.1 | 68 | 0 | 0 | 0 | 112 | L549 F551 E556 V557 | L549-L553 WeakPolarHBondContact O-CB 3.49Å; L549-L553 PolarHBondContact O-N 2.86Å; F551-L553 VanDerWaalsContact C-N 3.33Å; F551-L553 PolarHBondContact O-N 3.01Å; L553-E556 PolarHBondContact O-N 3.07Å; L553-V557 WeakPolarHBondContact O-CG2 3.36Å; L553-V557 PolarHBondContact O-N 2.53Å |
| 554 | G | 83.1 | Confident | 84.8 | Confident | 7 Ų | 7 | 77.7 Ų | 77.7 | 7% | 0.072 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V550 F551 T552 L558 | V550-G554 PolarHBondContact O-N 3.35Å; F551-G554 PolarHBondContact O-N 3.08Å; T552-G554 PolarHBondContact O-N 3.22Å; G554-L558 WeakPolarHBondContact O-CG 3.05Å; G554-L558 PolarHBondContact O-N 3.22Å |
| 555 | I | 85.1 | Confident | 85 | Confident | 88 Ų | 88 | 76.8 Ų | 76.8 | 45% | 0.451 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 174.1 | -68.5 | 168.1 | 0 | 0 | 0 | 110.3 | F551 T552 V557 L558 V559 F791 | F551-I555 WeakPolarHBondContact O-CG1 3.37Å; F551-I555 PolarHBondContact O-N 3.02Å; T552-I555 PolarHBondContact O-N 3.14Å; I555-V557 PolarHBondContact O-N 3.23Å; I555-L558 CarbonylContact O-C 3.52Å; I555-L558 WeakPolarHBondContact O-CA 3.29Å; I555-L558 WeakPolarHBondContact O-CB 3.27Å; I555-L558 PolarHBondContact O-N 3.29Å; I555-V559 HydrophobicContact CG2-CG2 4.27Å; I555-V559 WeakPolarHBondContact O-CG2 3.14Å; I555-V559 PolarHBondContact O-N 2.97Å; I555-F791 HydrophobicContact CG1-CE1 4.41Å |
| 556 | E | 88.3 | Confident | 85.2 | Confident | 98 Ų | 98 | 78.6 Ų | 78.6 | 46% | 0.458 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | -179.8 | -168.1 | 64.4 | -165.5 | 0 | 0 | 111.7 | T552 L553 L558 V559 L560 | T552-E556 WeakPolarHBondContact O-CB 3.49Å; T552-E556 PolarHBondContact O-N 3.01Å; L553-E556 PolarHBondContact O-N 3.07Å; E556-L558 PolarHBondContact O-N 2.84Å; E556-V559 PolarHBondContact O-N 3.43Å; E556-V559 VanDerWaalsContact O-N 3.14Å; E556-L560 HydrophobicContact CG-CD1 4.24Å; E556-L560 HydrophobicContact CG-CG 4.49Å; E556-L560 WeakPolarHBondContact O-CB 3.12Å; E556-L560 VanDerWaalsContact O-CG 3.28Å; E556-L560 WeakPolarHBondContact O-CG 3.07Å; E556-L560 PolarHBondContact O-N 3.1Å |
| 557 | V | 85.4 | Confident | 85.5 | Confident | 31 Ų | 31 | 78.3 Ų | 78.3 | 19% | 0.188 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.7 | -37.6 | 173.6 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | L553 I555 S561 M567 F792 | L553-V557 WeakPolarHBondContact O-CG2 3.36Å; L553-V557 PolarHBondContact O-N 2.53Å; I555-V557 PolarHBondContact O-N 3.23Å; V557-S561 WeakPolarHBondContact O-CB 3.39Å; V557-S561 PolarHBondContact O-N 3.25Å; V557-M567 HydrophobicContact CG1-CB 4.49Å; V557-F792 HydrophobicContact CG1-CE1 4.08Å |
| 558 | L | 82.1 | Confident | 85.8 | Confident | 4 Ų | 4 | 75.3 Ų | 75.3 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.5 | -40 | 176.9 | -72.9 | 171.1 | 0 | 0 | 0 | 112.4 | G554 I555 E556 S561 F562 L568 F791 F792 | G554-L558 WeakPolarHBondContact O-CG 3.05Å; G554-L558 PolarHBondContact O-N 3.22Å; I555-L558 CarbonylContact O-C 3.52Å; I555-L558 WeakPolarHBondContact O-CA 3.29Å; I555-L558 WeakPolarHBondContact O-CB 3.27Å; I555-L558 PolarHBondContact O-N 3.29Å; E556-L558 PolarHBondContact O-N 2.84Å; L558-S561 PolarHBondContact O-N 2.68Å; L558-S561 PolarHBondContact O-OG 3.24Å; L558-F562 VanDerWaalsContact O-CD2 3.24Å; L558-F562 WeakPolarHBondContact O-CD2 3.42Å; L558-L568 HydrophobicContact CD2-CD2 4Å; L558-F791 HydrophobicContact CD1-CD1 3.14Å; L558-F791 HydrophobicContact CD1-CE1 3.34Å; L558-F791 HydrophobicContact CD1-CG 4.24Å; L558-F792 HydrophobicContact CD2-CD1 4.25Å; L558-F792 HydrophobicContact CD2-CE1 4.16Å; L558-F792 HydrophobicContact CG-CE1 4.21Å; L558-F792 HydrophobicContact CG-CZ 4.39Å |
| 559 | V | 86.9 | Confident | 86.1 | Confident | 63 Ų | 63 | 71.3 Ų | 71.3 | 38% | 0.382 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 173.7 | 172.8 | 0 | 0 | 0 | 0 | 109.8 | I555 E556 S561 F562 F563 | I555-V559 HydrophobicContact CG2-CG2 4.27Å; I555-V559 WeakPolarHBondContact O-CG2 3.14Å; I555-V559 PolarHBondContact O-N 2.97Å; E556-V559 PolarHBondContact O-N 3.43Å; E556-V559 VanDerWaalsContact O-N 3.14Å; V559-S561 PolarHBondContact O-N 2.97Å; V559-F562 WeakPolarHBondContact O-CB 3.23Å; V559-F562 PolarHBondContact O-N 3.3Å; V559-F562 VanDerWaalsContact O-N 3.11Å; V559-F563 HydrophobicContact CG1-CE2 4.32Å; V559-F563 WeakPolarHBondContact O-CD2 3.41Å |
| 560 | L | 88.3 | Confident | 86.3 | Confident | 59 Ų | 59 | 68 Ų | 68 | 31% | 0.309 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60 | -29.8 | 175.9 | -68.6 | 172.7 | 0 | 0 | 0 | 112.1 | E556 F562 F563 Y564 M567 | E556-L560 HydrophobicContact CG-CD1 4.24Å; E556-L560 HydrophobicContact CG-CG 4.49Å; E556-L560 WeakPolarHBondContact O-CB 3.12Å; E556-L560 VanDerWaalsContact O-CG 3.28Å; E556-L560 WeakPolarHBondContact O-CG 3.07Å; E556-L560 PolarHBondContact O-N 3.1Å; L560-F562 PolarHBondContact O-N 3.44Å; L560-F563 PolarHBondContact O-N 3.22Å; L560-Y564 PolarHBondContact O-N 2.93Å; L560-M567 HydrophobicContact CB-CB 4.47Å; L560-M567 HydrophobicContact CB-CG 3.87Å; L560-M567 HydrophobicContact CB-SD 4.37Å; L560-M567 HydrophobicContact CD1-SD 4.38Å |
| 561 | S | 87.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.5 | -17.5 | 178.4 | 75.7 | 0 | 0 | 0 | 0 | 115.3 | V557 L558 V559 F563 Y564 N797 | V557-S561 WeakPolarHBondContact O-CB 3.39Å; V557-S561 PolarHBondContact O-N 3.25Å; L558-S561 PolarHBondContact O-N 2.68Å; L558-S561 PolarHBondContact O-OG 3.24Å; V559-S561 PolarHBondContact O-N 2.97Å; S561-F563 VanDerWaalsContact C-N 3.29Å; S561-Y564 WeakPolarHBondContact CA-O 3.24Å; S561-N797 PolarHBondContact O-ND2 3.42Å; S561-N797 PolarHBondContact OG-ND2 3.33Å; S561-N797 VanDerWaalsContact OG-ND2 3.12Å |
| 562 | F | 80.4 | Confident | 86.7 | Confident | 135 Ų | 135 | 61.3 Ų | 61.3 | 59% | 0.592 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -69.9 | -28.3 | 169.3 | -73.5 | -84.9 | 0 | 0 | 0 | 112.1 | L558 V559 L560 | L558-F562 VanDerWaalsContact O-CD2 3.24Å; L558-F562 WeakPolarHBondContact O-CD2 3.42Å; V559-F562 WeakPolarHBondContact O-CB 3.23Å; V559-F562 PolarHBondContact O-N 3.3Å; V559-F562 VanDerWaalsContact O-N 3.11Å; L560-F562 PolarHBondContact O-N 3.44Å |
| 563 | F | 84.8 | Confident | 86.9 | Confident | 151 Ų | 151 | 61.9 Ų | 61.9 | 66% | 0.662 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -93.6 | -36.4 | 177 | -57.3 | -79.4 | 0 | 0 | 0 | 111.7 | V559 L560 S561 | V559-F563 HydrophobicContact CG1-CE2 4.32Å; V559-F563 WeakPolarHBondContact O-CD2 3.41Å; L560-F563 PolarHBondContact O-N 3.22Å; S561-F563 VanDerWaalsContact C-N 3.29Å |
| 564 | Y | 88 | Confident | 86.9 | Confident | 120 Ų | 120 | 61.6 Ų | 61.6 | 47% | 0.471 | 31% | 0.306 | S | S | . | . | trans | -135.2 | 94.2 | -169.6 | -60 | -60.3 | 0 | 0 | 0 | 110.8 | L560 S561 Y566 M567 | L560-Y564 PolarHBondContact O-N 2.93Å; S561-Y564 WeakPolarHBondContact CA-O 3.24Å; Y564-Y566 AromaticContact CD1-CE1 3.67Å; Y564-Y566 HydrophobicContact CD1-CE1 3.67Å; Y564-Y566 AromaticContact CD1-CZ 3.96Å; Y564-Y566 AromaticContact CG-CE1 3.87Å; Y564-Y566 HydrophobicContact CG-CE1 3.87Å; Y564-Y566 AromaticContact CG-CZ 3.91Å; Y564-Y566 PolarHBondContact O-N 3.33Å; Y564-M567 VanDerWaalsContact O-CB 3.28Å; Y564-M567 WeakPolarHBondContact O-CB 3.34Å; Y564-M567 WeakPolarHBondContact O-CG 3.34Å; Y564-M567 PolarHBondContact O-N 3.39Å | ||
| 565 | R | 86.6 | Confident | 87 | Confident | 84 Ų | 84 | 62.6 Ų | 62.6 | 32% | 0.317 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -34.9 | -177.9 | -63.7 | -174.3 | -65.8 | 152 | 12.3 | 113.4 | M567 L568 P606 M608 | R565-M567 PolarHBondContact O-N 2.62Å; R565-M567 VanDerWaalsContact O-N 3.11Å; R565-L568 WeakPolarHBondContact O-CB 3.22Å; R565-L568 PolarHBondContact O-N 2.85Å; R565-L568 VanDerWaalsContact O-N 3.07Å; R565-P606 HydrophobicContact CB-CB 4.38Å; R565-P606 WeakPolarHBondContact CB-O 3.4Å; R565-P606 WeakPolarHBondContact O-CB 3.4Å; R565-M608 PolarHBondContact NH1-O 3.04Å; R565-M608 PolarHBondContact NH2-O 2.81Å; R565-M608 VanDerWaalsContact NH2-O 3.08Å |
| 566 | Y | 89.4 | Confident | 87.1 | Confident | 117 Ų | 117 | 58.7 Ų | 58.7 | 46% | 0.459 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.2 | -12.8 | 178.4 | 64.6 | -93.3 | 0 | 0 | 0 | 114.5 | Y564 L568 T569 A570 | Y564-Y566 AromaticContact CD1-CE1 3.67Å; Y564-Y566 HydrophobicContact CD1-CE1 3.67Å; Y564-Y566 AromaticContact CD1-CZ 3.96Å; Y564-Y566 AromaticContact CG-CE1 3.87Å; Y564-Y566 HydrophobicContact CG-CE1 3.87Å; Y564-Y566 AromaticContact CG-CZ 3.91Å; Y564-Y566 PolarHBondContact O-N 3.33Å; Y566-L568 VanDerWaalsContact C-N 3.28Å; Y566-L568 PolarHBondContact O-N 3.42Å; Y566-T569 VanDerWaalsContact O-CB 3.28Å; Y566-T569 WeakPolarHBondContact O-CB 3.49Å; Y566-T569 PolarHBondContact O-N 2.86Å; Y566-A570 PolarHBondContact O-N 2.91Å; Y566-A570 VanDerWaalsContact O-N 3.15Å |
| 567 | M | 90.1 | Very high | 87 | Confident | 41 Ų | 41 | 55.4 Ų | 55.4 | 20% | 0.202 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.3 | -31.8 | 170.2 | -68.9 | -69.6 | 114 | 0 | 0 | 112.5 | V557 L560 Y564 R565 T569 A570 G571 | V557-M567 HydrophobicContact CG1-CB 4.49Å; L560-M567 HydrophobicContact CB-CB 4.47Å; L560-M567 HydrophobicContact CB-CG 3.87Å; L560-M567 HydrophobicContact CB-SD 4.37Å; L560-M567 HydrophobicContact CD1-SD 4.38Å; Y564-M567 VanDerWaalsContact O-CB 3.28Å; Y564-M567 WeakPolarHBondContact O-CB 3.34Å; Y564-M567 WeakPolarHBondContact O-CG 3.34Å; Y564-M567 PolarHBondContact O-N 3.39Å; R565-M567 PolarHBondContact O-N 2.62Å; R565-M567 VanDerWaalsContact O-N 3.11Å; M567-T569 VanDerWaalsContact C-N 3.3Å; M567-T569 PolarHBondContact O-N 3.03Å; M567-A570 PolarHBondContact O-N 3.01Å; M567-G571 PolarHBondContact O-N 3.29Å |
| 568 | L | 88 | Confident | 86.8 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 7% | 0.068 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.6 | -36.7 | 172.8 | -65.4 | 176.3 | 0 | 0 | 0 | 111.3 | L558 R565 Y566 G571 L572 P606 N797 | L558-L568 HydrophobicContact CD2-CD2 4Å; R565-L568 WeakPolarHBondContact O-CB 3.22Å; R565-L568 PolarHBondContact O-N 2.85Å; R565-L568 VanDerWaalsContact O-N 3.07Å; Y566-L568 VanDerWaalsContact C-N 3.28Å; Y566-L568 PolarHBondContact O-N 3.42Å; L568-G571 PolarHBondContact O-N 3.39Å; L568-L572 WeakPolarHBondContact O-CB 3.46Å; L568-L572 VanDerWaalsContact O-CG 3.3Å; L568-L572 WeakPolarHBondContact O-CG 3.31Å; L568-L572 PolarHBondContact O-N 3.01Å; L568-P606 HydrophobicContact CB-CB 4.12Å; L568-P606 HydrophobicContact CB-CG 3.75Å; L568-P606 HydrophobicContact CD1-CG 4.39Å; L568-N797 HydrophobicContact CD1-CB 4.43Å |
| 569 | T | 90.8 | Very high | 86.7 | Confident | 14 Ų | 14 | 58.7 Ų | 58.7 | 9% | 0.086 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 173.7 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | Y566 M567 G571 L572 I573 A603 L607 | Y566-T569 VanDerWaalsContact O-CB 3.28Å; Y566-T569 WeakPolarHBondContact O-CB 3.49Å; Y566-T569 PolarHBondContact O-N 2.86Å; M567-T569 VanDerWaalsContact C-N 3.3Å; M567-T569 PolarHBondContact O-N 3.03Å; T569-G571 PolarHBondContact O-N 3.23Å; T569-L572 PolarHBondContact O-N 3.47Å; T569-I573 HydrophobicContact CG2-CD1 3.85Å; T569-I573 VanDerWaalsContact O-CG1 3.26Å; T569-I573 WeakPolarHBondContact O-CG1 3.3Å; T569-I573 PolarHBondContact O-N 3.17Å; T569-A603 WeakPolarHBondContact CB-O 3.24Å; T569-A603 HydrophobicContact CG2-CB 4.02Å; T569-A603 VanDerWaalsContact CG2-O 3.22Å; T569-A603 WeakPolarHBondContact CG2-O 3.46Å; T569-A603 PolarHBondContact OG1-O 2.71Å; T569-L607 HydrophobicContact CG2-CD1 4.08Å; T569-L607 HydrophobicContact CG2-CD2 4.36Å; T569-L607 HydrophobicContact CG2-CG 4.2Å |
| 570 | A | 89.7 | Confident | 86.3 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 37% | 0.372 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y566 M567 L572 I573 V574 | Y566-A570 PolarHBondContact O-N 2.91Å; Y566-A570 VanDerWaalsContact O-N 3.15Å; M567-A570 PolarHBondContact O-N 3.01Å; A570-L572 PolarHBondContact O-N 3.25Å; A570-I573 PolarHBondContact O-N 2.83Å; A570-V574 WeakPolarHBondContact O-CG2 3.25Å; A570-V574 PolarHBondContact O-N 3.02Å; A570-V574 VanDerWaalsContact O-N 3.09Å |
| 571 | G | 86.5 | Confident | 85.7 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 12% | 0.124 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | M567 L568 T569 I573 V574 F575 | M567-G571 PolarHBondContact O-N 3.29Å; L568-G571 PolarHBondContact O-N 3.39Å; T569-G571 PolarHBondContact O-N 3.23Å; G571-I573 PolarHBondContact O-N 2.98Å; G571-V574 PolarHBondContact O-N 3.34Å; G571-F575 WeakPolarHBondContact O-CB 3.35Å; G571-F575 PolarHBondContact O-N 3.33Å |
| 572 | L | 87.8 | Confident | 85 | Confident | 8 Ų | 8 | 67.1 Ų | 67.1 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.8 | -33.2 | 178.9 | -73.3 | 169.2 | 0 | 0 | 0 | 112.9 | L568 T569 A570 F575 A576 L602 A603 | L568-L572 WeakPolarHBondContact O-CB 3.46Å; L568-L572 VanDerWaalsContact O-CG 3.3Å; L568-L572 WeakPolarHBondContact O-CG 3.31Å; L568-L572 PolarHBondContact O-N 3.01Å; T569-L572 PolarHBondContact O-N 3.47Å; A570-L572 PolarHBondContact O-N 3.25Å; L572-F575 PolarHBondContact O-N 2.85Å; L572-A576 WeakPolarHBondContact O-CB 3.29Å; L572-A576 PolarHBondContact O-N 3.08Å; L572-L602 HydrophobicContact CD1-CB 4.24Å; L572-L602 HydrophobicContact CD1-CD2 4.25Å; L572-L602 HydrophobicContact CD1-CG 4.04Å; L572-L602 HydrophobicContact CD2-CD2 4.18Å; L572-A603 HydrophobicContact CB-CB 3.76Å; L572-A603 HydrophobicContact CD1-CB 4.19Å |
| 573 | I | 90.2 | Very high | 84.6 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 46% | 0.462 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.1 | -46.4 | 173.7 | -70.3 | 166.2 | 0 | 0 | 0 | 110.5 | T569 A570 G571 F575 A576 G577 L600 A603 | T569-I573 HydrophobicContact CG2-CD1 3.85Å; T569-I573 VanDerWaalsContact O-CG1 3.26Å; T569-I573 WeakPolarHBondContact O-CG1 3.3Å; T569-I573 PolarHBondContact O-N 3.17Å; A570-I573 PolarHBondContact O-N 2.83Å; G571-I573 PolarHBondContact O-N 2.98Å; I573-F575 PolarHBondContact O-N 2.7Å; I573-A576 WeakPolarHBondContact O-CB 3.38Å; I573-A576 PolarHBondContact O-N 2.84Å; I573-G577 PolarHBondContact O-N 2.84Å; I573-L600 HydrophobicContact CG1-CD2 3.99Å; I573-A603 HydrophobicContact CG1-CB 4.41Å |
| 574 | V | 86.9 | Confident | 83.9 | Confident | 113 Ų | 113 | 59.9 Ų | 59.9 | 69% | 0.685 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -59.1 | -41.4 | 174.7 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | A570 G571 G577 W578 | A570-V574 WeakPolarHBondContact O-CG2 3.25Å; A570-V574 PolarHBondContact O-N 3.02Å; A570-V574 VanDerWaalsContact O-N 3.09Å; G571-V574 PolarHBondContact O-N 3.34Å; V574-G577 WeakPolarHBondContact O-CA 3.46Å; V574-G577 PolarHBondContact O-N 3.48Å; V574-G577 VanDerWaalsContact O-N 3.1Å; V574-W578 PolarHBondContact O-N 3.27Å |
| 575 | F | 83.9 | Confident | 83.1 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 12% | 0.123 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.3 | -32.6 | 179.8 | -162 | -131.5 | 0 | 0 | 0 | 113.7 | G571 L572 I573 G577 W578 W595 W743 F789 | G571-F575 WeakPolarHBondContact O-CB 3.35Å; G571-F575 PolarHBondContact O-N 3.33Å; L572-F575 PolarHBondContact O-N 2.85Å; I573-F575 PolarHBondContact O-N 2.7Å; F575-G577 PolarHBondContact O-N 3.31Å; F575-W578 HydrophobicContact CD2-CB 4.5Å; F575-W578 WeakPolarHBondContact O-CB 3.27Å; F575-W578 PolarHBondContact O-N 2.87Å; F575-W578 VanDerWaalsContact O-N 3.17Å; F575-W595 AromaticContact CD1-CH2 3.79Å; F575-W595 HydrophobicContact CD1-CH2 3.79Å; F575-W595 AromaticContact CD1-CZ2 3.43Å; F575-W595 HydrophobicContact CD1-CZ2 3.43Å; F575-W595 VanDerWaalsContact CD1-CZ2 3.43Å; F575-W595 HydrophobicContact CD2-CZ2 4.37Å; F575-W595 AromaticContact CE1-CH2 3.19Å; F575-W595 HydrophobicContact CE1-CH2 3.19Å; F575-W595 AromaticContact CE1-CZ2 3.25Å; F575-W595 HydrophobicContact CE1-CZ2 3.25Å; F575-W595 HydrophobicContact CE1-CZ3 4.49Å; F575-W595 HydrophobicContact CE2-CZ2 4.18Å; F575-W595 HydrophobicContact CG-CZ2 4.02Å; F575-W595 AromaticContact CZ-CH2 3.65Å; F575-W595 HydrophobicContact CZ-CH2 3.65Å; F575-W595 AromaticContact CZ-CZ2 3.63Å; F575-W595 HydrophobicContact CZ-CZ2 3.63Å; F575-W595 PolarHBondContact O-NE1 3.1Å; F575-W595 VanDerWaalsContact O-NE1 3.09Å; F575-W743 HydrophobicContact CZ-CZ3 4.25Å; F575-F789 AromaticContact CE1-CD2 3.7Å; F575-F789 HydrophobicContact CE1-CD2 3.7Å; F575-F789 HydrophobicContact CE1-CE2 4.33Å; F575-F789 HydrophobicContact CZ-CB 4.15Å; F575-F789 AromaticContact CZ-CD2 3.83Å; F575-F789 HydrophobicContact CZ-CD2 3.83Å |
| 576 | A | 87.9 | Confident | 82.5 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 5% | 0.05 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.4 | -32.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L572 I573 P579 L600 | L572-A576 WeakPolarHBondContact O-CB 3.29Å; L572-A576 PolarHBondContact O-N 3.08Å; I573-A576 WeakPolarHBondContact O-CB 3.38Å; I573-A576 PolarHBondContact O-N 2.84Å; A576-P579 WeakPolarHBondContact O-CD 3.15Å; A576-L600 HydrophobicContact CB-CD2 4.19Å; A576-L600 HydrophobicContact CB-CG 4.13Å |
| 577 | G | 85.2 | Confident | 81.9 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -76.8 | -15.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | I573 V574 F575 F580 | I573-G577 PolarHBondContact O-N 2.84Å; V574-G577 WeakPolarHBondContact O-CA 3.46Å; V574-G577 PolarHBondContact O-N 3.48Å; V574-G577 VanDerWaalsContact O-N 3.1Å; F575-G577 PolarHBondContact O-N 3.31Å; G577-F580 WeakPolarHBondContact O-CB 3.41Å; G577-F580 WeakPolarHBondContact O-CD2 3.43Å; G577-F580 PolarHBondContact O-N 3.02Å; G577-F580 VanDerWaalsContact O-N 3.13Å |
| 578 | W | 82 | Confident | 81.4 | Confident | 103 Ų | 103 | 60.1 Ų | 60.1 | 39% | 0.39 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -52.6 | -46.6 | -174 | 168.2 | -107.6 | 0 | 0 | 0 | 114.3 | V574 F575 F580 L581 T582 | V574-W578 PolarHBondContact O-N 3.27Å; F575-W578 HydrophobicContact CD2-CB 4.5Å; F575-W578 WeakPolarHBondContact O-CB 3.27Å; F575-W578 PolarHBondContact O-N 2.87Å; F575-W578 VanDerWaalsContact O-N 3.17Å; W578-F580 PolarHBondContact O-N 3.37Å; W578-F580 VanDerWaalsContact O-N 3.12Å; W578-L581 HydrophobicContact CE3-CD1 4.28Å; W578-L581 HydrophobicContact CZ3-CD1 4.46Å; W578-L581 WeakPolarHBondContact O-CB 3.49Å; W578-L581 PolarHBondContact O-N 3.48Å; W578-T582 HydrophobicContact CZ2-CG2 4.03Å |
| 579 | P | 80.7 | Confident | 81.1 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.013 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -66.4 | -17.8 | -175.8 | -22.9 | 34.7 | 0 | 0 | 0 | 114.8 | A576 L581 T582 L584 F592 W595 | A576-P579 WeakPolarHBondContact O-CD 3.15Å; P579-L581 PolarHBondContact O-N 3.02Å; P579-T582 WeakPolarHBondContact CA-OG1 3.07Å; P579-T582 PolarHBondContact O-N 3.33Å; P579-T582 VanDerWaalsContact O-O 3.12Å; P579-T582 PolarHBondContact O-OG1 3.17Å; P579-L584 HydrophobicContact CB-CB 4.27Å; P579-L584 HydrophobicContact CB-CD1 4.16Å; P579-F592 HydrophobicContact CB-CD2 3.45Å; P579-F592 VanDerWaalsContact CB-CD2 3.45Å; P579-F592 HydrophobicContact CB-CE2 3.83Å; P579-F592 HydrophobicContact CG-CD2 3.92Å; P579-F592 HydrophobicContact CG-CE2 4.18Å; P579-W595 VanDerWaalsContact CG-CD1 3.41Å; P579-W595 HydrophobicContact CG-CG 4.19Å |
| 580 | F | 77.7 | Confident | 80.9 | Confident | 118 Ų | 118 | 72 Ų | 72 | 52% | 0.518 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -63.1 | -26.5 | 173.2 | -72.9 | -90 | 0 | 0 | 0 | 112.1 | G577 W578 T582 W585 F592 | G577-F580 WeakPolarHBondContact O-CB 3.41Å; G577-F580 WeakPolarHBondContact O-CD2 3.43Å; G577-F580 PolarHBondContact O-N 3.02Å; G577-F580 VanDerWaalsContact O-N 3.13Å; W578-F580 PolarHBondContact O-N 3.37Å; W578-F580 VanDerWaalsContact O-N 3.12Å; F580-T582 PolarHBondContact O-N 2.92Å; F580-W585 HydrophobicContact CD1-CD2 4.11Å; F580-W585 AromaticContact CD1-CE3 3.58Å; F580-W585 HydrophobicContact CD1-CE3 3.58Å; F580-W585 HydrophobicContact CD1-CH2 4.45Å; F580-W585 AromaticContact CD1-CZ3 3.76Å; F580-W585 HydrophobicContact CD1-CZ3 3.76Å; F580-W585 HydrophobicContact CE1-CD2 4.18Å; F580-W585 AromaticContact CE1-CE3 3.37Å; F580-W585 HydrophobicContact CE1-CE3 3.37Å; F580-W585 AromaticContact CE1-CH2 3.61Å; F580-W585 HydrophobicContact CE1-CH2 3.61Å; F580-W585 HydrophobicContact CE1-CZ2 4.35Å; F580-W585 AromaticContact CE1-CZ3 3.01Å; F580-W585 HydrophobicContact CE1-CZ3 3.01Å; F580-W585 HydrophobicContact CE2-CZ3 4.42Å; F580-W585 HydrophobicContact CG-CE3 4.35Å; F580-W585 AromaticContact CZ-CE3 3.97Å; F580-W585 HydrophobicContact CZ-CE3 3.97Å; F580-W585 HydrophobicContact CZ-CH2 4.22Å; F580-W585 AromaticContact CZ-CZ3 3.44Å; F580-W585 HydrophobicContact CZ-CZ3 3.44Å; F580-W585 VanDerWaalsContact CZ-CZ3 3.44Å; F580-F592 AromaticContact CD2-CE2 3.98Å; F580-F592 HydrophobicContact CD2-CE2 3.98Å; F580-F592 HydrophobicContact CD2-CZ 4.05Å; F580-F592 HydrophobicContact CE1-CZ 4.15Å; F580-F592 AromaticContact CE2-CE2 3.82Å; F580-F592 HydrophobicContact CE2-CE2 3.82Å; F580-F592 AromaticContact CE2-CZ 3.47Å; F580-F592 HydrophobicContact CE2-CZ 3.47Å; F580-F592 VanDerWaalsContact CE2-CZ 3.47Å; F580-F592 HydrophobicContact CZ-CE1 4.39Å; F580-F592 HydrophobicContact CZ-CE2 4.29Å; F580-F592 AromaticContact CZ-CZ 3.53Å; F580-F592 HydrophobicContact CZ-CZ 3.53Å |
| 581 | L | 75.5 | Confident | 80.6 | Confident | 143 Ų | 143 | 70.9 Ų | 70.9 | 75% | 0.749 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -84.2 | 1.3 | 176.6 | -56.5 | 174.6 | 0 | 0 | 0 | 112.4 | W578 P579 | W578-L581 HydrophobicContact CE3-CD1 4.28Å; W578-L581 HydrophobicContact CZ3-CD1 4.46Å; W578-L581 WeakPolarHBondContact O-CB 3.49Å; W578-L581 PolarHBondContact O-N 3.48Å; P579-L581 PolarHBondContact O-N 3.02Å |
| 582 | T | 73.6 | Confident | 80.5 | Confident | 38 Ų | 38 | 70.8 Ų | 70.8 | 23% | 0.233 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -125 | 165.8 | -174.8 | 73.5 | 0 | 0 | 0 | 0 | 112 | W578 P579 F580 L584 | W578-T582 HydrophobicContact CZ2-CG2 4.03Å; P579-T582 WeakPolarHBondContact CA-OG1 3.07Å; P579-T582 PolarHBondContact O-N 3.33Å; P579-T582 VanDerWaalsContact O-O 3.12Å; P579-T582 PolarHBondContact O-OG1 3.17Å; F580-T582 PolarHBondContact O-N 2.92Å; T582-L584 PolarHBondContact O-N 3.12Å; T582-L584 VanDerWaalsContact O-N 3.07Å; T582-L584 WeakPolarHBondContact OG1-CB 3.31Å; T582-L584 WeakPolarHBondContact OG1-CD1 3.45Å; T582-L584 WeakPolarHBondContact OG1-CG 3.38Å; T582-L584 PolarHBondContact OG1-N 3.13Å |
| 583 | Q | 70.6 | Confident | 80.5 | Confident | 122 Ų | 122 | 75.6 Ų | 75.6 | 57% | 0.57 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -0.5 | 176.2 | -62.9 | -177.9 | 0.6 | 0 | 0 | 113.8 | W585 T586 R587 | Q583-W585 VanDerWaalsContact C-N 3.35Å; Q583-W585 PolarHBondContact O-N 3.32Å; Q583-T586 PolarHBondContact O-N 2.82Å; Q583-T586 PolarHBondContact O-OG1 3.21Å; Q583-T586 VanDerWaalsContact O-OG1 3.04Å; Q583-R587 WeakPolarHBondContact O-CG 3.46Å; Q583-R587 PolarHBondContact O-N 3.23Å |
| 584 | L | 71.6 | Confident | 80.5 | Confident | 13 Ų | 13 | 73.1 Ų | 73.1 | 7% | 0.068 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 178.6 | -71 | 169.2 | 0 | 0 | 0 | 112.9 | P579 T582 T586 R587 A588 V746 E749 T750 | P579-L584 HydrophobicContact CB-CB 4.27Å; P579-L584 HydrophobicContact CB-CD1 4.16Å; T582-L584 PolarHBondContact O-N 3.12Å; T582-L584 VanDerWaalsContact O-N 3.07Å; T582-L584 WeakPolarHBondContact OG1-CB 3.31Å; T582-L584 WeakPolarHBondContact OG1-CD1 3.45Å; T582-L584 WeakPolarHBondContact OG1-CG 3.38Å; T582-L584 PolarHBondContact OG1-N 3.13Å; L584-T586 PolarHBondContact O-N 3.37Å; L584-R587 PolarHBondContact O-N 3.09Å; L584-A588 PolarHBondContact O-N 3.26Å; L584-V746 HydrophobicContact CD1-CG1 3.7Å; L584-E749 HydrophobicContact CD2-CB 3.97Å; L584-T750 HydrophobicContact CD1-CG2 3.53Å; L584-T750 HydrophobicContact CD2-CG2 3.68Å; L584-T750 HydrophobicContact CG-CG2 3.76Å |
| 585 | W | 69.9 | Low | 80.6 | Confident | 113 Ų | 113 | 67.8 Ų | 67.8 | 43% | 0.428 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.7 | -32.6 | 179.7 | 171.7 | -91.5 | 0 | 0 | 0 | 112.3 | F580 Q583 F592 | F580-W585 HydrophobicContact CD1-CD2 4.11Å; F580-W585 AromaticContact CD1-CE3 3.58Å; F580-W585 HydrophobicContact CD1-CE3 3.58Å; F580-W585 HydrophobicContact CD1-CH2 4.45Å; F580-W585 AromaticContact CD1-CZ3 3.76Å; F580-W585 HydrophobicContact CD1-CZ3 3.76Å; F580-W585 HydrophobicContact CE1-CD2 4.18Å; F580-W585 AromaticContact CE1-CE3 3.37Å; F580-W585 HydrophobicContact CE1-CE3 3.37Å; F580-W585 AromaticContact CE1-CH2 3.61Å; F580-W585 HydrophobicContact CE1-CH2 3.61Å; F580-W585 HydrophobicContact CE1-CZ2 4.35Å; F580-W585 AromaticContact CE1-CZ3 3.01Å; F580-W585 HydrophobicContact CE1-CZ3 3.01Å; F580-W585 HydrophobicContact CE2-CZ3 4.42Å; F580-W585 HydrophobicContact CG-CE3 4.35Å; F580-W585 AromaticContact CZ-CE3 3.97Å; F580-W585 HydrophobicContact CZ-CE3 3.97Å; F580-W585 HydrophobicContact CZ-CH2 4.22Å; F580-W585 AromaticContact CZ-CZ3 3.44Å; F580-W585 HydrophobicContact CZ-CZ3 3.44Å; F580-W585 VanDerWaalsContact CZ-CZ3 3.44Å; Q583-W585 VanDerWaalsContact C-N 3.35Å; Q583-W585 PolarHBondContact O-N 3.32Å; W585-F592 HydrophobicContact CD2-CE1 4.44Å; W585-F592 AromaticContact CE3-CD1 3.55Å; W585-F592 HydrophobicContact CE3-CD1 3.55Å; W585-F592 HydrophobicContact CE3-CD2 4.31Å; W585-F592 AromaticContact CE3-CE1 3.17Å; W585-F592 HydrophobicContact CE3-CE1 3.17Å; W585-F592 AromaticContact CE3-CE2 3.92Å; W585-F592 HydrophobicContact CE3-CE2 3.92Å; W585-F592 HydrophobicContact CE3-CG 4.14Å; W585-F592 AromaticContact CE3-CZ 3.35Å; W585-F592 HydrophobicContact CE3-CZ 3.35Å; W585-F592 HydrophobicContact CH2-CE1 4.17Å; W585-F592 AromaticContact CZ3-CD1 3.78Å; W585-F592 HydrophobicContact CZ3-CD1 3.78Å; W585-F592 AromaticContact CZ3-CE1 3Å; W585-F592 HydrophobicContact CZ3-CE1 3Å; W585-F592 HydrophobicContact CZ3-CE2 4.32Å; W585-F592 AromaticContact CZ3-CZ 3.32Å; W585-F592 HydrophobicContact CZ3-CZ 3.32Å |
| 586 | T | 73.8 | Confident | 81 | Confident | 102 Ų | 102 | 67.1 Ų | 67.1 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -91.1 | -35.9 | 179.3 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | Q583 L584 | Q583-T586 PolarHBondContact O-N 2.82Å; Q583-T586 PolarHBondContact O-OG1 3.21Å; Q583-T586 VanDerWaalsContact O-OG1 3.04Å; L584-T586 PolarHBondContact O-N 3.37Å |
| 587 | R | 76.8 | Confident | 81.2 | Confident | 141 Ų | 141 | 72.5 Ų | 72.5 | 53% | 0.532 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -85.8 | -35.8 | -173.7 | -67 | 179.8 | 180 | -169.6 | -0.1 | 114.9 | Q583 L584 | Q583-R587 WeakPolarHBondContact O-CG 3.46Å; Q583-R587 PolarHBondContact O-N 3.23Å; L584-R587 PolarHBondContact O-N 3.09Å |
| 588 | A | 80 | Confident | 81.6 | Confident | 11 Ų | 11 | 73.3 Ų | 73.3 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | trans | -138.6 | 62.8 | -169 | 0 | 0 | 0 | 0 | 0 | 112.2 | L584 I590 T591 F592 E749 | L584-A588 PolarHBondContact O-N 3.26Å; A588-I590 VanDerWaalsContact C-N 3.32Å; A588-I590 PolarHBondContact O-N 3.01Å; A588-T591 PolarHBondContact O-N 3.42Å; A588-F592 WeakPolarHBondContact O-CB 3.43Å; A588-F592 PolarHBondContact O-N 3.31Å; A588-E749 HydrophobicContact CB-CB 4.39Å; A588-E749 HydrophobicContact CB-CG 4.18Å | ||
| 589 | K | 82.9 | Confident | 82.1 | Confident | 140 Ų | 140 | 68.4 Ų | 68.4 | 61% | 0.609 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -53.8 | -41.2 | -174.7 | -69.4 | -176.5 | 174.6 | -179.6 | 0 | 114.4 | L593 | K589-L593 WeakPolarHBondContact O-CB 3.43Å; K589-L593 VanDerWaalsContact O-CG 3.29Å; K589-L593 WeakPolarHBondContact O-CG 3.35Å; K589-L593 PolarHBondContact O-N 3.36Å |
| 590 | I | 84.9 | Confident | 82.7 | Confident | 137 Ų | 137 | 72.5 Ų | 72.5 | 70% | 0.703 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.3 | -50.7 | -178.6 | -62.1 | 174.3 | 0 | 0 | 0 | 110.4 | A588 F592 L593 S594 | A588-I590 VanDerWaalsContact C-N 3.32Å; A588-I590 PolarHBondContact O-N 3.01Å; I590-F592 VanDerWaalsContact C-N 3.25Å; I590-F592 PolarHBondContact O-N 3.21Å; I590-L593 PolarHBondContact O-N 3.09Å; I590-S594 PolarHBondContact O-N 3.18Å; I590-S594 PolarHBondContact O-OG 3.25Å; I590-S594 VanDerWaalsContact O-OG 3.13Å |
| 591 | T | 84.4 | Confident | 83.4 | Confident | 21 Ų | 21 | 69.9 Ų | 69.9 | 13% | 0.129 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.6 | -41.2 | 178.2 | -44.8 | 0 | 0 | 0 | 0 | 111.2 | A588 W595 Q745 V746 | A588-T591 PolarHBondContact O-N 3.42Å; T591-W595 WeakPolarHBondContact O-CB 3.28Å; T591-W595 PolarHBondContact O-N 3.19Å; T591-Q745 HydrophobicContact CG2-CB 3.92Å; T591-V746 HydrophobicContact CG2-CG2 3.63Å |
| 592 | F | 84.1 | Confident | 84.2 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 4% | 0.044 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.9 | -50.6 | 174.1 | 162.8 | -98.2 | 0 | 0 | 0 | 112.8 | P579 F580 W585 A588 I590 S594 W595 A596 | P579-F592 HydrophobicContact CB-CD2 3.45Å; P579-F592 VanDerWaalsContact CB-CD2 3.45Å; P579-F592 HydrophobicContact CB-CE2 3.83Å; P579-F592 HydrophobicContact CG-CD2 3.92Å; P579-F592 HydrophobicContact CG-CE2 4.18Å; F580-F592 AromaticContact CD2-CE2 3.98Å; F580-F592 HydrophobicContact CD2-CE2 3.98Å; F580-F592 HydrophobicContact CD2-CZ 4.05Å; F580-F592 HydrophobicContact CE1-CZ 4.15Å; F580-F592 AromaticContact CE2-CE2 3.82Å; F580-F592 HydrophobicContact CE2-CE2 3.82Å; F580-F592 AromaticContact CE2-CZ 3.47Å; F580-F592 HydrophobicContact CE2-CZ 3.47Å; F580-F592 VanDerWaalsContact CE2-CZ 3.47Å; F580-F592 HydrophobicContact CZ-CE1 4.39Å; F580-F592 HydrophobicContact CZ-CE2 4.29Å; F580-F592 AromaticContact CZ-CZ 3.53Å; F580-F592 HydrophobicContact CZ-CZ 3.53Å; W585-F592 HydrophobicContact CD2-CE1 4.44Å; W585-F592 AromaticContact CE3-CD1 3.55Å; W585-F592 HydrophobicContact CE3-CD1 3.55Å; W585-F592 HydrophobicContact CE3-CD2 4.31Å; W585-F592 AromaticContact CE3-CE1 3.17Å; W585-F592 HydrophobicContact CE3-CE1 3.17Å; W585-F592 AromaticContact CE3-CE2 3.92Å; W585-F592 HydrophobicContact CE3-CE2 3.92Å; W585-F592 HydrophobicContact CE3-CG 4.14Å; W585-F592 AromaticContact CE3-CZ 3.35Å; W585-F592 HydrophobicContact CE3-CZ 3.35Å; W585-F592 HydrophobicContact CH2-CE1 4.17Å; W585-F592 AromaticContact CZ3-CD1 3.78Å; W585-F592 HydrophobicContact CZ3-CD1 3.78Å; W585-F592 AromaticContact CZ3-CE1 3Å; W585-F592 HydrophobicContact CZ3-CE1 3Å; W585-F592 HydrophobicContact CZ3-CE2 4.32Å; W585-F592 AromaticContact CZ3-CZ 3.32Å; W585-F592 HydrophobicContact CZ3-CZ 3.32Å; A588-F592 WeakPolarHBondContact O-CB 3.43Å; A588-F592 PolarHBondContact O-N 3.31Å; I590-F592 VanDerWaalsContact C-N 3.25Å; I590-F592 PolarHBondContact O-N 3.21Å; F592-S594 VanDerWaalsContact C-N 3.3Å; F592-S594 PolarHBondContact O-N 3.24Å; F592-W595 WeakPolarHBondContact O-CB 3.25Å; F592-W595 PolarHBondContact O-N 3.34Å; F592-W595 VanDerWaalsContact O-N 3.15Å; F592-A596 HydrophobicContact CE2-CB 4.47Å; F592-A596 HydrophobicContact CZ-CB 4.26Å; F592-A596 PolarHBondContact O-N 3.41Å |
| 593 | L | 88.2 | Confident | 85.1 | Confident | 108 Ų | 108 | 61.7 Ų | 61.7 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.3 | -39.1 | -179.5 | -74.5 | 169.7 | 0 | 0 | 0 | 111.3 | K589 I590 A596 F597 | K589-L593 WeakPolarHBondContact O-CB 3.43Å; K589-L593 VanDerWaalsContact O-CG 3.29Å; K589-L593 WeakPolarHBondContact O-CG 3.35Å; K589-L593 PolarHBondContact O-N 3.36Å; I590-L593 PolarHBondContact O-N 3.09Å; L593-A596 PolarHBondContact O-N 3.37Å; L593-F597 VanDerWaalsContact O-CB 3.26Å; L593-F597 WeakPolarHBondContact O-CB 3.49Å; L593-F597 PolarHBondContact O-N 3.29Å |
| 594 | S | 90 | Very high | 86.2 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 27% | 0.266 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 173.9 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | I590 F592 F597 F598 | I590-S594 PolarHBondContact O-N 3.18Å; I590-S594 PolarHBondContact O-OG 3.25Å; I590-S594 VanDerWaalsContact O-OG 3.13Å; F592-S594 VanDerWaalsContact C-N 3.3Å; F592-S594 PolarHBondContact O-N 3.24Å; S594-F597 PolarHBondContact O-N 3.28Å; S594-F598 WeakPolarHBondContact O-CD2 3.36Å; S594-F598 PolarHBondContact O-N 3.49Å |
| 595 | W | 89.7 | Confident | 87.1 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.9 | -52.6 | 176.1 | 168.6 | -97.2 | 0 | 0 | 0 | 112 | F575 P579 T591 F592 F597 F598 S599 L739 V742 W743 V746 F789 | F575-W595 AromaticContact CD1-CH2 3.79Å; F575-W595 HydrophobicContact CD1-CH2 3.79Å; F575-W595 AromaticContact CD1-CZ2 3.43Å; F575-W595 HydrophobicContact CD1-CZ2 3.43Å; F575-W595 VanDerWaalsContact CD1-CZ2 3.43Å; F575-W595 HydrophobicContact CD2-CZ2 4.37Å; F575-W595 AromaticContact CE1-CH2 3.19Å; F575-W595 HydrophobicContact CE1-CH2 3.19Å; F575-W595 AromaticContact CE1-CZ2 3.25Å; F575-W595 HydrophobicContact CE1-CZ2 3.25Å; F575-W595 HydrophobicContact CE1-CZ3 4.49Å; F575-W595 HydrophobicContact CE2-CZ2 4.18Å; F575-W595 HydrophobicContact CG-CZ2 4.02Å; F575-W595 AromaticContact CZ-CH2 3.65Å; F575-W595 HydrophobicContact CZ-CH2 3.65Å; F575-W595 AromaticContact CZ-CZ2 3.63Å; F575-W595 HydrophobicContact CZ-CZ2 3.63Å; F575-W595 PolarHBondContact O-NE1 3.1Å; F575-W595 VanDerWaalsContact O-NE1 3.09Å; P579-W595 VanDerWaalsContact CG-CD1 3.41Å; P579-W595 HydrophobicContact CG-CG 4.19Å; T591-W595 WeakPolarHBondContact O-CB 3.28Å; T591-W595 PolarHBondContact O-N 3.19Å; F592-W595 WeakPolarHBondContact O-CB 3.25Å; F592-W595 PolarHBondContact O-N 3.34Å; F592-W595 VanDerWaalsContact O-N 3.15Å; W595-F597 VanDerWaalsContact C-N 3.32Å; W595-F597 PolarHBondContact O-N 2.84Å; W595-F598 PolarHBondContact O-N 3.23Å; W595-S599 VanDerWaalsContact O-CB 3.28Å; W595-S599 WeakPolarHBondContact O-CB 3.34Å; W595-S599 PolarHBondContact O-N 2.99Å; W595-S599 PolarHBondContact O-OG 3Å; W595-L739 HydrophobicContact CD2-CD1 4.32Å; W595-L739 HydrophobicContact CE3-CD1 3.56Å; W595-L739 HydrophobicContact CH2-CD1 4.29Å; W595-L739 HydrophobicContact CZ3-CD1 3.52Å; W595-L739 HydrophobicContact CZ3-CG 4.19Å; W595-V742 HydrophobicContact CB-CG1 3.97Å; W595-V742 HydrophobicContact CE3-CG1 4.37Å; W595-W743 HydrophobicContact CE3-CE3 4.34Å; W595-W743 HydrophobicContact CH2-CD2 4.46Å; W595-W743 AromaticContact CH2-CE3 3.46Å; W595-W743 HydrophobicContact CH2-CE3 3.46Å; W595-W743 VanDerWaalsContact CH2-CE3 3.46Å; W595-W743 AromaticContact CH2-CZ3 3.85Å; W595-W743 HydrophobicContact CH2-CZ3 3.85Å; W595-W743 HydrophobicContact CZ2-CE3 4.33Å; W595-W743 HydrophobicContact CZ2-CZ3 4.36Å; W595-W743 HydrophobicContact CZ3-CB 4.07Å; W595-W743 HydrophobicContact CZ3-CD2 4.32Å; W595-W743 AromaticContact CZ3-CE3 3.5Å; W595-W743 HydrophobicContact CZ3-CE3 3.5Å; W595-W743 VanDerWaalsContact CZ3-CE3 3.5Å; W595-W743 HydrophobicContact CZ3-CZ3 4.3Å; W595-V746 HydrophobicContact CB-CG2 4.3Å; W595-V746 HydrophobicContact CE3-CG2 4.48Å; W595-F789 AromaticContact CH2-CD2 3.74Å; W595-F789 HydrophobicContact CH2-CD2 3.74Å; W595-F789 AromaticContact CH2-CE2 3.71Å; W595-F789 HydrophobicContact CH2-CE2 3.71Å; W595-F789 HydrophobicContact CZ3-CD2 4.17Å; W595-F789 AromaticContact CZ3-CE2 3.73Å; W595-F789 HydrophobicContact CZ3-CE2 3.73Å |
| 596 | A | 90.9 | Very high | 88 | Confident | 15 Ų | 15 | 55.5 Ų | 55.5 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.6 | -43.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | F592 L593 S599 L600 | F592-A596 HydrophobicContact CE2-CB 4.47Å; F592-A596 HydrophobicContact CZ-CB 4.26Å; F592-A596 PolarHBondContact O-N 3.41Å; L593-A596 PolarHBondContact O-N 3.37Å; A596-S599 PolarHBondContact O-N 3.04Å; A596-L600 WeakPolarHBondContact O-CB 3.44Å; A596-L600 VanDerWaalsContact O-CG 3.25Å; A596-L600 WeakPolarHBondContact O-CG 3.38Å; A596-L600 PolarHBondContact O-N 3.23Å |
| 597 | F | 93.5 | Very high | 88.7 | Confident | 119 Ų | 119 | 55.7 Ų | 55.7 | 52% | 0.522 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.5 | -54.3 | 177.9 | 175.5 | -100.5 | 0 | 0 | 0 | 112.6 | L593 S594 W595 S599 L600 L601 | L593-F597 VanDerWaalsContact O-CB 3.26Å; L593-F597 WeakPolarHBondContact O-CB 3.49Å; L593-F597 PolarHBondContact O-N 3.29Å; S594-F597 PolarHBondContact O-N 3.28Å; W595-F597 VanDerWaalsContact C-N 3.32Å; W595-F597 PolarHBondContact O-N 2.84Å; F597-S599 VanDerWaalsContact C-N 3.33Å; F597-S599 PolarHBondContact O-N 3.14Å; F597-L600 PolarHBondContact O-N 2.75Å; F597-L601 HydrophobicContact CE1-CD2 4.13Å; F597-L601 HydrophobicContact CZ-CD2 4.25Å; F597-L601 WeakPolarHBondContact O-CB 3.46Å; F597-L601 PolarHBondContact O-N 2.69Å |
| 598 | F | 93.1 | Very high | 89.2 | Confident | 44 Ų | 44 | 51.8 Ų | 51.8 | 19% | 0.193 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69.9 | -30.4 | -178.1 | -74.5 | -64.8 | 0 | 0 | 0 | 112.7 | S594 W595 L601 L602 V735 C738 L739 V742 | S594-F598 WeakPolarHBondContact O-CD2 3.36Å; S594-F598 PolarHBondContact O-N 3.49Å; W595-F598 PolarHBondContact O-N 3.23Å; F598-L601 HydrophobicContact CD1-CD2 4.38Å; F598-L602 WeakPolarHBondContact O-CB 3.22Å; F598-L602 PolarHBondContact O-N 3.49Å; F598-V735 HydrophobicContact CD1-CG1 4.39Å; F598-C738 HydrophobicContact CD1-CB 3.76Å; F598-C738 HydrophobicContact CD2-CB 4.28Å; F598-C738 HydrophobicContact CE1-CB 3.49Å; F598-C738 VanDerWaalsContact CE1-CB 3.49Å; F598-C738 HydrophobicContact CE2-CB 4.04Å; F598-C738 HydrophobicContact CG-CB 4.17Å; F598-C738 HydrophobicContact CZ-CB 3.64Å; F598-L739 HydrophobicContact CB-CB 4.04Å; F598-L739 HydrophobicContact CB-CD1 3.87Å; F598-V742 HydrophobicContact CD2-CG2 3.95Å; F598-V742 HydrophobicContact CE2-CG2 4.18Å |
| 599 | S | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 174.3 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | W595 A596 F597 L602 A603 L739 | W595-S599 VanDerWaalsContact O-CB 3.28Å; W595-S599 WeakPolarHBondContact O-CB 3.34Å; W595-S599 PolarHBondContact O-N 2.99Å; W595-S599 PolarHBondContact O-OG 3Å; A596-S599 PolarHBondContact O-N 3.04Å; F597-S599 VanDerWaalsContact C-N 3.33Å; F597-S599 PolarHBondContact O-N 3.14Å; S599-L602 PolarHBondContact O-N 2.88Å; S599-A603 WeakPolarHBondContact O-CB 3.29Å; S599-A603 PolarHBondContact O-N 3.32Å; S599-L739 WeakPolarHBondContact OG-CD1 3.43Å |
| 600 | L | 93.4 | Very high | 88.9 | Confident | 88 Ų | 88 | 50.9 Ų | 50.9 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.4 | -37.4 | 176.4 | -69.1 | 172.6 | 0 | 0 | 0 | 112 | I573 A576 A596 F597 A603 | I573-L600 HydrophobicContact CG1-CD2 3.99Å; A576-L600 HydrophobicContact CB-CD2 4.19Å; A576-L600 HydrophobicContact CB-CG 4.13Å; A596-L600 WeakPolarHBondContact O-CB 3.44Å; A596-L600 VanDerWaalsContact O-CG 3.25Å; A596-L600 WeakPolarHBondContact O-CG 3.38Å; A596-L600 PolarHBondContact O-N 3.23Å; F597-L600 PolarHBondContact O-N 2.75Å; L600-A603 WeakPolarHBondContact O-CB 3.21Å; L600-A603 PolarHBondContact O-N 3.01Å |
| 601 | L | 94.1 | Very high | 88.1 | Confident | 64 Ų | 64 | 46.8 Ų | 46.8 | 34% | 0.335 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 174.8 | -174.5 | 60.2 | 0 | 0 | 0 | 111.5 | F597 F598 A603 V604 V735 | F597-L601 HydrophobicContact CE1-CD2 4.13Å; F597-L601 HydrophobicContact CZ-CD2 4.25Å; F597-L601 WeakPolarHBondContact O-CB 3.46Å; F597-L601 PolarHBondContact O-N 2.69Å; F598-L601 HydrophobicContact CD1-CD2 4.38Å; L601-A603 VanDerWaalsContact C-N 3.25Å; L601-A603 PolarHBondContact O-N 2.57Å; L601-V604 WeakPolarHBondContact O-CB 3.4Å; L601-V604 PolarHBondContact O-N 3.2Å; L601-V735 HydrophobicContact CB-CG1 4.15Å; L601-V735 HydrophobicContact CD2-CB 4.48Å; L601-V735 HydrophobicContact CD2-CG1 3.97Å; L601-V735 HydrophobicContact CD2-CG2 3.62Å; L601-V735 HydrophobicContact CG-CG1 3.91Å; L601-V735 HydrophobicContact CG-CG2 4Å |
| 602 | L | 91.8 | Very high | 87 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.9 | -32.5 | 174.7 | -166.1 | 65.2 | 0 | 0 | 0 | 111.7 | L572 F598 S599 V604 F605 P606 F732 V735 L736 L739 | L572-L602 HydrophobicContact CD1-CB 4.24Å; L572-L602 HydrophobicContact CD1-CD2 4.25Å; L572-L602 HydrophobicContact CD1-CG 4.04Å; L572-L602 HydrophobicContact CD2-CD2 4.18Å; F598-L602 WeakPolarHBondContact O-CB 3.22Å; F598-L602 PolarHBondContact O-N 3.49Å; S599-L602 PolarHBondContact O-N 2.88Å; L602-V604 PolarHBondContact O-N 3.15Å; L602-F605 HydrophobicContact CD1-CD2 4.21Å; L602-F605 PolarHBondContact O-N 2.82Å; L602-P606 WeakPolarHBondContact O-CD 3.43Å; L602-F732 HydrophobicContact CD1-CD2 3.71Å; L602-F732 HydrophobicContact CD1-CE2 3.47Å; L602-F732 VanDerWaalsContact CD1-CE2 3.47Å; L602-F732 HydrophobicContact CD1-CZ 4.35Å; L602-F732 HydrophobicContact CG-CE2 4.47Å; L602-V735 HydrophobicContact CB-CG1 4.11Å; L602-V735 HydrophobicContact CD1-CG1 4.12Å; L602-L736 HydrophobicContact CD1-CB 4.37Å; L602-L736 HydrophobicContact CD2-CD1 4.16Å; L602-L739 HydrophobicContact CB-CD2 4.5Å; L602-L739 HydrophobicContact CD2-CD2 3.57Å |
| 603 | A | 91.8 | Very high | 85.8 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T569 L572 I573 S599 L600 L601 P606 | T569-A603 WeakPolarHBondContact CB-O 3.24Å; T569-A603 HydrophobicContact CG2-CB 4.02Å; T569-A603 VanDerWaalsContact CG2-O 3.22Å; T569-A603 WeakPolarHBondContact CG2-O 3.46Å; T569-A603 PolarHBondContact OG1-O 2.71Å; L572-A603 HydrophobicContact CB-CB 3.76Å; L572-A603 HydrophobicContact CD1-CB 4.19Å; I573-A603 HydrophobicContact CG1-CB 4.41Å; S599-A603 WeakPolarHBondContact O-CB 3.29Å; S599-A603 PolarHBondContact O-N 3.32Å; L600-A603 WeakPolarHBondContact O-CB 3.21Å; L600-A603 PolarHBondContact O-N 3.01Å; L601-A603 VanDerWaalsContact C-N 3.25Å; L601-A603 PolarHBondContact O-N 2.57Å; A603-P606 WeakPolarHBondContact O-CD 3.42Å |
| 604 | V | 93.1 | Very high | 84.9 | Confident | 71 Ų | 71 | 56 Ų | 56 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -37.3 | 174.8 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | L601 L602 L607 M608 | L601-V604 WeakPolarHBondContact O-CB 3.4Å; L601-V604 PolarHBondContact O-N 3.2Å; L602-V604 PolarHBondContact O-N 3.15Å; V604-L607 WeakPolarHBondContact O-CB 3.3Å; V604-L607 PolarHBondContact O-N 3.22Å; V604-M608 HydrophobicContact CG1-CG 4.37Å; V604-M608 HydrophobicContact CG1-SD 4.21Å; V604-M608 PolarHBondContact O-N 3.07Å |
| 605 | F | 90.5 | Very high | 84.2 | Confident | 27 Ų | 27 | 56.3 Ų | 56.3 | 12% | 0.118 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -59.3 | -41.2 | -172.1 | -71.3 | -89 | 0 | 0 | 0 | 114.5 | L602 L607 M608 Y728 L731 F732 V735 | L602-F605 HydrophobicContact CD1-CD2 4.21Å; L602-F605 PolarHBondContact O-N 2.82Å; F605-L607 PolarHBondContact O-N 3.48Å; F605-M608 WeakPolarHBondContact O-CB 3.47Å; F605-M608 PolarHBondContact O-N 3.21Å; F605-M608 VanDerWaalsContact O-N 3.08Å; F605-Y728 AromaticContact CD1-CD2 3.89Å; F605-Y728 HydrophobicContact CD1-CD2 3.89Å; F605-Y728 HydrophobicContact CD1-CE2 4.07Å; F605-Y728 HydrophobicContact CE1-CD2 4.08Å; F605-L731 HydrophobicContact CE1-CB 4.21Å; F605-L731 HydrophobicContact CZ-CB 3.86Å; F605-F732 HydrophobicContact CB-CD2 4.05Å; F605-F732 HydrophobicContact CD1-CB 3.79Å; F605-F732 HydrophobicContact CD1-CD2 4.02Å; F605-F732 HydrophobicContact CD1-CG 4.39Å; F605-F732 AromaticContact CD2-CD2 3.98Å; F605-F732 HydrophobicContact CD2-CD2 3.98Å; F605-F732 HydrophobicContact CE1-CB 3.58Å; F605-F732 HydrophobicContact CE1-CD2 4.48Å; F605-F732 HydrophobicContact CE2-CD2 4.43Å; F605-F732 HydrophobicContact CG-CB 4.35Å; F605-F732 AromaticContact CG-CD2 3.75Å; F605-F732 HydrophobicContact CG-CD2 3.75Å; F605-F732 HydrophobicContact CZ-CB 3.96Å; F605-V735 HydrophobicContact CE2-CB 4.21Å; F605-V735 HydrophobicContact CE2-CG1 4.39Å; F605-V735 HydrophobicContact CE2-CG2 4.13Å; F605-V735 HydrophobicContact CZ-CG2 4.32Å |
| 606 | P | 89.5 | Confident | 84 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 13% | 0.13 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -65.3 | -18.6 | 176.5 | -19.8 | 31.3 | 0 | 0 | 0 | 114.6 | R565 L568 L602 A603 | R565-P606 HydrophobicContact CB-CB 4.38Å; R565-P606 WeakPolarHBondContact CB-O 3.4Å; R565-P606 WeakPolarHBondContact O-CB 3.4Å; L568-P606 HydrophobicContact CB-CB 4.12Å; L568-P606 HydrophobicContact CB-CG 3.75Å; L568-P606 HydrophobicContact CD1-CG 4.39Å; L602-P606 WeakPolarHBondContact O-CD 3.43Å; A603-P606 WeakPolarHBondContact O-CD 3.42Å |
| 607 | L | 89.5 | Confident | 83.9 | Confident | 106 Ų | 106 | 60.2 Ų | 60.2 | 56% | 0.555 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -84.8 | -14.8 | 174.8 | -57 | -179.3 | 0 | 0 | 0 | 112.9 | T569 V604 F605 | T569-L607 HydrophobicContact CG2-CD1 4.08Å; T569-L607 HydrophobicContact CG2-CD2 4.36Å; T569-L607 HydrophobicContact CG2-CG 4.2Å; V604-L607 WeakPolarHBondContact O-CB 3.3Å; V604-L607 PolarHBondContact O-N 3.22Å; F605-L607 PolarHBondContact O-N 3.48Å |
| 608 | M | 86.6 | Confident | 83.8 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 29% | 0.291 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -72.2 | 149.9 | -177.8 | -63.8 | -65.6 | -75.3 | 0 | 0 | 111.4 | R565 V604 F605 Y728 | R565-M608 PolarHBondContact NH1-O 3.04Å; R565-M608 PolarHBondContact NH2-O 2.81Å; R565-M608 VanDerWaalsContact NH2-O 3.08Å; V604-M608 HydrophobicContact CG1-CG 4.37Å; V604-M608 HydrophobicContact CG1-SD 4.21Å; V604-M608 PolarHBondContact O-N 3.07Å; F605-M608 WeakPolarHBondContact O-CB 3.47Å; F605-M608 PolarHBondContact O-N 3.21Å; F605-M608 VanDerWaalsContact O-N 3.08Å; M608-Y728 HydrophobicContact CB-CD1 4.47Å; M608-Y728 HydrophobicContact CB-CD2 4.15Å; M608-Y728 HydrophobicContact CB-CE1 3.88Å; M608-Y728 HydrophobicContact CB-CE2 3.54Å; M608-Y728 HydrophobicContact CE-CD1 3.8Å; M608-Y728 HydrophobicContact CE-CD2 4.2Å; M608-Y728 HydrophobicContact CE-CE1 4.29Å; M608-Y728 HydrophobicContact CE-CG 3.76Å; M608-Y728 HydrophobicContact CG-CD2 4.13Å; M608-Y728 HydrophobicContact CG-CE2 3.97Å |
| 609 | P | 80.5 | Confident | 83.7 | Confident | 63 Ų | 63 | 60 Ų | 60 | 41% | 0.409 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 150 | 175.9 | 27.1 | -35.4 | 0 | 0 | 0 | 110.4 | V611 Y728 | P609-V611 PolarHBondContact O-N 3.3Å; P609-Y728 VanDerWaalsContact O-CE1 3.29Å; P609-Y728 WeakPolarHBondContact O-CE1 3.3Å; P609-Y728 VanDerWaalsContact O-CZ 3.28Å; P609-Y728 PolarHBondContact O-OH 3.39Å |
| 610 | V | 75.2 | Confident | 83.8 | Confident | 70 Ų | 70 | 60 Ų | 60 | 42% | 0.424 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 134.9 | 176.2 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 611 | V | 69.1 | Low | 83.9 | Confident | 50 Ų | 50 | 58.3 Ų | 58.3 | 30% | 0.303 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 145.9 | 178.2 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | P609 Y728 E729 | P609-V611 PolarHBondContact O-N 3.3Å; V611-Y728 HydrophobicContact CG2-CE1 4.11Å; V611-Y728 HydrophobicContact CG2-CE2 4.38Å; V611-E729 VanDerWaalsContact CG1-CD 3.41Å; V611-E729 HydrophobicContact CG1-CG 4.1Å; V611-E729 WeakPolarHBondContact CG1-OE2 3.48Å; V611-E729 HydrophobicContact CG2-CB 3.78Å; V611-E729 HydrophobicContact CG2-CG 3.97Å |
| 612 | G | 60.3 | Low | 84 | Confident | 26 Ų | 26 | 56.7 Ų | 56.7 | 27% | 0.268 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.6 | 10 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | W268 | W268-G612 VanDerWaalsContact CB-O 3.27Å; W268-G612 WeakPolarHBondContact CB-O 3.3Å |
| 613 | R | 59.9 | Low | 84.1 | Confident | 139 Ų | 139 | 56.5 Ų | 56.5 | 53% | 0.525 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -80.1 | -49.4 | 170.1 | -68.7 | -173.4 | 176.6 | -174.1 | -3.7 | 112.9 | ||
| 614 | K | 68.4 | Low | 84.3 | Confident | 168 Ų | 168 | 56.3 Ų | 56.3 | 73% | 0.73 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -147.6 | 139.9 | 176.3 | -69.2 | -172 | 179.2 | 179.2 | 0 | 109.9 | ||
| 615 | P | 76.6 | Confident | 84.4 | Confident | 44 Ų | 44 | 58.7 Ų | 58.7 | 29% | 0.286 | 32% | 0.317 | S | S | . | . | trans | -71.2 | 140.9 | 176.9 | 32.4 | -32.2 | 0 | 0 | 0 | 109.3 | W268 T726 | W268-P615 HydrophobicContact CE3-CG 4.46Å; W268-P615 HydrophobicContact CH2-CB 3.78Å; W268-P615 HydrophobicContact CH2-CG 4.2Å; W268-P615 HydrophobicContact CZ3-CB 3.49Å; W268-P615 VanDerWaalsContact CZ3-CB 3.49Å; W268-P615 VanDerWaalsContact CZ3-CD 3.45Å; W268-P615 HydrophobicContact CZ3-CG 3.5Å; W268-P615 VanDerWaalsContact CZ3-CG 3.5Å; P615-T726 CarbonylContact C-O 3.5Å; P615-T726 WeakPolarHBondContact CA-O 3.47Å | ||
| 616 | N | 85.8 | Confident | 84.6 | Confident | 69 Ų | 69 | 61.4 Ų | 61.4 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | trans | -131.1 | 83.1 | 169.2 | -168 | -30.2 | 0 | 0 | 0 | 109.3 | S618 L619 V620 T726 | N616-S618 PolarHBondContact O-N 2.9Å; N616-S618 WeakPolarHBondContact OD1-CB 3.17Å; N616-S618 PolarHBondContact OD1-N 2.79Å; N616-L619 HydrophobicContact CB-CD1 4.09Å; N616-L619 HydrophobicContact CB-CG 4.36Å; N616-L619 PolarHBondContact O-N 3.48Å; N616-L619 VanDerWaalsContact O-N 3.14Å; N616-L619 PolarHBondContact OD1-N 3.36Å; N616-V620 PolarHBondContact O-N 3.35Å; N616-T726 CarbonylContact C-O 3.6Å; N616-T726 PolarHBondContact N-O 3.48Å | ||
| 617 | L | 88.3 | Confident | 84.9 | Confident | 29 Ų | 29 | 60.6 Ų | 60.6 | 15% | 0.152 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.8 | -30.7 | -178 | -174 | 61 | 0 | 0 | 0 | 112.1 | L619 V620 M621 V667 Y668 H671 | L617-L619 PolarHBondContact O-N 3.07Å; L617-V620 HydrophobicContact CD1-CB 4.33Å; L617-V620 PolarHBondContact O-N 3.04Å; L617-V620 VanDerWaalsContact O-N 3.12Å; L617-M621 HydrophobicContact CD1-CG 4.15Å; L617-M621 HydrophobicContact CD1-SD 4.37Å; L617-M621 HydrophobicContact CG-CG 3.98Å; L617-M621 WeakPolarHBondContact O-CB 3.5Å; L617-M621 VanDerWaalsContact O-CG 3.25Å; L617-M621 WeakPolarHBondContact O-CG 3.31Å; L617-M621 PolarHBondContact O-N 2.96Å; L617-V667 HydrophobicContact CD1-CG1 3.51Å; L617-Y668 HydrophobicContact CD2-CD2 3.79Å; L617-H671 HydrophobicContact CD2-CB 4.15Å |
| 618 | S | 91.4 | Very high | 85.1 | Confident | 96 Ų | 96 | 57.1 Ų | 57.1 | 67% | 0.671 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.4 | -36.9 | 177.1 | -55 | 0 | 0 | 0 | 0 | 112.2 | N616 G622 | N616-S618 PolarHBondContact O-N 2.9Å; N616-S618 WeakPolarHBondContact OD1-CB 3.17Å; N616-S618 PolarHBondContact OD1-N 2.79Å; S618-G622 PolarHBondContact O-N 3.48Å |
| 619 | L | 91.3 | Very high | 85.5 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.7 | -38.9 | 176 | -66.6 | 176.3 | 0 | 0 | 0 | 112.4 | N616 L617 G622 A623 L731 | N616-L619 HydrophobicContact CB-CD1 4.09Å; N616-L619 HydrophobicContact CB-CG 4.36Å; N616-L619 PolarHBondContact O-N 3.48Å; N616-L619 VanDerWaalsContact O-N 3.14Å; N616-L619 PolarHBondContact OD1-N 3.36Å; L617-L619 PolarHBondContact O-N 3.07Å; L619-G622 PolarHBondContact O-N 3.45Å; L619-A623 WeakPolarHBondContact O-CB 3.18Å; L619-A623 PolarHBondContact O-N 3.02Å; L619-L731 HydrophobicContact CD2-CD1 4.42Å |
| 620 | V | 93.3 | Very high | 85.9 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | N616 L617 G622 A623 G624 V667 L722 T726 G727 A730 | N616-V620 PolarHBondContact O-N 3.35Å; L617-V620 HydrophobicContact CD1-CB 4.33Å; L617-V620 PolarHBondContact O-N 3.04Å; L617-V620 VanDerWaalsContact O-N 3.12Å; V620-G622 VanDerWaalsContact C-N 3.33Å; V620-G622 PolarHBondContact O-N 3.5Å; V620-A623 WeakPolarHBondContact O-CB 3.35Å; V620-A623 PolarHBondContact O-N 2.9Å; V620-G624 PolarHBondContact O-N 3.44Å; V620-V667 HydrophobicContact CG1-CG1 4.4Å; V620-L722 HydrophobicContact CG1-CD2 3.91Å; V620-T726 VanDerWaalsContact CG2-C 3.49Å; V620-G727 WeakPolarHBondContact CG2-O 3.28Å; V620-A730 HydrophobicContact CB-CB 4.33Å; V620-A730 HydrophobicContact CG1-CB 4.3Å; V620-A730 HydrophobicContact CG2-CB 4.22Å |
| 621 | M | 95.3 | Very high | 86.6 | Confident | 52 Ų | 52 | 55.6 Ų | 55.6 | 26% | 0.256 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.6 | -62.4 | -57.8 | -77.6 | 0 | 0 | 111.3 | L617 G624 F625 M664 | L617-M621 HydrophobicContact CD1-CG 4.15Å; L617-M621 HydrophobicContact CD1-SD 4.37Å; L617-M621 HydrophobicContact CG-CG 3.98Å; L617-M621 WeakPolarHBondContact O-CB 3.5Å; L617-M621 VanDerWaalsContact O-CG 3.25Å; L617-M621 WeakPolarHBondContact O-CG 3.31Å; L617-M621 PolarHBondContact O-N 2.96Å; M621-G624 PolarHBondContact O-N 2.76Å; M621-F625 WeakPolarHBondContact O-CB 3.48Å; M621-F625 PolarHBondContact O-N 2.96Å; M621-M664 HydrophobicContact CB-CE 4.38Å; M621-M664 HydrophobicContact CE-CB 3.94Å; M621-M664 HydrophobicContact CE-CE 3.67Å; M621-M664 WeakPolarHBondContact O-CE 3.34Å; M621-M664 HydrophobicContact SD-CB 3.98Å; M621-M664 HydrophobicContact SD-CE 4.13Å; M621-M664 HydrophobicContact SD-CG 4.4Å |
| 622 | G | 95.4 | Very high | 87.6 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 30% | 0.299 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S618 L619 V620 F625 L626 | S618-G622 PolarHBondContact O-N 3.48Å; L619-G622 PolarHBondContact O-N 3.45Å; V620-G622 VanDerWaalsContact C-N 3.33Å; V620-G622 PolarHBondContact O-N 3.5Å; G622-F625 PolarHBondContact O-N 3.48Å; G622-L626 VanDerWaalsContact O-CG 3.27Å; G622-L626 WeakPolarHBondContact O-CG 3.4Å; G622-L626 PolarHBondContact O-N 3.36Å |
| 623 | A | 94.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.2 | -46.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L619 V620 F625 L626 V627 L722 A730 L731 | L619-A623 WeakPolarHBondContact O-CB 3.18Å; L619-A623 PolarHBondContact O-N 3.02Å; V620-A623 WeakPolarHBondContact O-CB 3.35Å; V620-A623 PolarHBondContact O-N 2.9Å; A623-F625 PolarHBondContact O-N 3.39Å; A623-L626 PolarHBondContact O-N 2.96Å; A623-V627 WeakPolarHBondContact O-CG2 3.41Å; A623-V627 PolarHBondContact O-N 3.45Å; A623-L722 HydrophobicContact CB-CD2 4.19Å; A623-A730 HydrophobicContact CB-CB 3.58Å; A623-L731 HydrophobicContact CB-CD2 3.58Å; A623-L731 HydrophobicContact CB-CG 4.05Å |
| 624 | G | 95.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V620 M621 L626 V627 L628 M664 | V620-G624 PolarHBondContact O-N 3.44Å; M621-G624 PolarHBondContact O-N 2.76Å; G624-L626 PolarHBondContact O-N 3.36Å; G624-V627 PolarHBondContact O-N 2.93Å; G624-L628 WeakPolarHBondContact O-CG 3.37Å; G624-L628 PolarHBondContact O-N 2.82Å; G624-M664 VanDerWaalsContact C-SD 3.6Å |
| 625 | F | 95.9 | Very high | 90.5 | Very high | 122 Ų | 122 | 47.6 Ų | 47.6 | 54% | 0.535 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 175.3 | -176.9 | -106.8 | 0 | 0 | 0 | 112.5 | M621 G622 A623 V627 L628 L629 | M621-F625 WeakPolarHBondContact O-CB 3.48Å; M621-F625 PolarHBondContact O-N 2.96Å; G622-F625 PolarHBondContact O-N 3.48Å; A623-F625 PolarHBondContact O-N 3.39Å; F625-V627 VanDerWaalsContact C-N 3.34Å; F625-V627 PolarHBondContact O-N 2.75Å; F625-L628 PolarHBondContact O-N 2.92Å; F625-L629 HydrophobicContact CD1-CD1 3.85Å; F625-L629 HydrophobicContact CD1-CG 4.23Å; F625-L629 HydrophobicContact CE1-CD1 3.37Å; F625-L629 HydrophobicContact CE1-CD2 4.34Å; F625-L629 HydrophobicContact CE1-CG 3.88Å; F625-L629 HydrophobicContact CE2-CG 4.49Å; F625-L629 HydrophobicContact CZ-CD1 3.91Å; F625-L629 HydrophobicContact CZ-CD2 4.02Å; F625-L629 HydrophobicContact CZ-CG 4Å; F625-L629 WeakPolarHBondContact O-CG 3.47Å; F625-L629 PolarHBondContact O-N 3.02Å |
| 626 | L | 95.4 | Very high | 90.7 | Very high | 83 Ų | 83 | 48.8 Ų | 48.8 | 44% | 0.435 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 176 | -71.4 | 169.4 | 0 | 0 | 0 | 112.3 | G622 A623 G624 L629 L630 L731 L734 | G622-L626 VanDerWaalsContact O-CG 3.27Å; G622-L626 WeakPolarHBondContact O-CG 3.4Å; G622-L626 PolarHBondContact O-N 3.36Å; A623-L626 PolarHBondContact O-N 2.96Å; G624-L626 PolarHBondContact O-N 3.36Å; L626-L629 PolarHBondContact O-N 3.07Å; L626-L630 WeakPolarHBondContact O-CB 3.44Å; L626-L630 PolarHBondContact O-N 3.15Å; L626-L731 HydrophobicContact CD1-CD2 3.83Å; L626-L734 HydrophobicContact CB-CD2 3.64Å; L626-L734 HydrophobicContact CD1-CD2 4.27Å |
| 627 | V | 94.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.024 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | 173.7 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | A623 G624 F625 L630 S631 T660 L715 M718 L734 | A623-V627 WeakPolarHBondContact O-CG2 3.41Å; A623-V627 PolarHBondContact O-N 3.45Å; G624-V627 PolarHBondContact O-N 2.93Å; F625-V627 VanDerWaalsContact C-N 3.34Å; F625-V627 PolarHBondContact O-N 2.75Å; V627-L630 PolarHBondContact O-N 3.38Å; V627-S631 WeakPolarHBondContact O-CB 3.34Å; V627-S631 PolarHBondContact O-N 2.92Å; V627-S631 PolarHBondContact O-OG 3.04Å; V627-T660 HydrophobicContact CG1-CG2 4.26Å; V627-L715 HydrophobicContact CG1-CD1 3.44Å; V627-L715 VanDerWaalsContact CG1-CD1 3.44Å; V627-M718 HydrophobicContact CG1-CB 4.23Å; V627-M718 HydrophobicContact CG1-CG 4.41Å; V627-M718 HydrophobicContact CG2-CB 4.17Å; V627-M718 HydrophobicContact CG2-CE 3.67Å; V627-M718 HydrophobicContact CG2-CG 3.83Å; V627-M718 HydrophobicContact CG2-SD 4.39Å; V627-L734 HydrophobicContact CG2-CD1 4.03Å; V627-L734 HydrophobicContact CG2-CD2 4.27Å |
| 628 | L | 94.5 | Very high | 89.5 | Confident | 32 Ų | 32 | 48 Ų | 48 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 176.4 | -69.3 | 172.2 | 0 | 0 | 0 | 112 | G624 F625 S631 L632 M657 T660 V661 M664 | G624-L628 WeakPolarHBondContact O-CG 3.37Å; G624-L628 PolarHBondContact O-N 2.82Å; F625-L628 PolarHBondContact O-N 2.92Å; L628-S631 WeakPolarHBondContact CA-OG 3.45Å; L628-S631 PolarHBondContact O-N 3.46Å; L628-S631 PolarHBondContact O-OG 2.92Å; L628-L632 WeakPolarHBondContact O-CB 3.28Å; L628-L632 PolarHBondContact O-N 3.34Å; L628-M657 HydrophobicContact CD2-CB 4.18Å; L628-M657 HydrophobicContact CD2-CE 4.23Å; L628-T660 HydrophobicContact CD2-CG2 4.17Å; L628-T660 HydrophobicContact CG-CG2 4.19Å; L628-V661 HydrophobicContact CD1-CG2 3.71Å; L628-V661 HydrophobicContact CD2-CG2 4.05Å; L628-M664 HydrophobicContact CD1-SD 4.01Å |
| 629 | L | 93.9 | Very high | 88.4 | Confident | 84 Ų | 84 | 45.8 Ų | 45.8 | 44% | 0.44 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 174.3 | -72.5 | -178.4 | 0 | 0 | 0 | 111.9 | F625 L626 L632 A633 | F625-L629 HydrophobicContact CD1-CD1 3.85Å; F625-L629 HydrophobicContact CD1-CG 4.23Å; F625-L629 HydrophobicContact CE1-CD1 3.37Å; F625-L629 HydrophobicContact CE1-CD2 4.34Å; F625-L629 HydrophobicContact CE1-CG 3.88Å; F625-L629 HydrophobicContact CE2-CG 4.49Å; F625-L629 HydrophobicContact CZ-CD1 3.91Å; F625-L629 HydrophobicContact CZ-CD2 4.02Å; F625-L629 HydrophobicContact CZ-CG 4Å; F625-L629 WeakPolarHBondContact O-CG 3.47Å; F625-L629 PolarHBondContact O-N 3.02Å; L626-L629 PolarHBondContact O-N 3.07Å; L629-L632 PolarHBondContact O-N 2.8Å; L629-A633 WeakPolarHBondContact O-CB 3.34Å; L629-A633 PolarHBondContact O-N 3.48Å |
| 630 | L | 90.8 | Very high | 87.2 | Confident | 66 Ų | 66 | 51.4 Ų | 51.4 | 35% | 0.346 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | 178 | -176.8 | 66.1 | 0 | 0 | 0 | 111.4 | L626 V627 L632 A633 V634 L714 L734 | L626-L630 WeakPolarHBondContact O-CB 3.44Å; L626-L630 PolarHBondContact O-N 3.15Å; V627-L630 PolarHBondContact O-N 3.38Å; L630-L632 PolarHBondContact O-N 2.85Å; L630-A633 WeakPolarHBondContact O-CB 3.4Å; L630-A633 PolarHBondContact O-N 2.82Å; L630-V634 WeakPolarHBondContact O-CG2 3.46Å; L630-V634 PolarHBondContact O-N 3.32Å; L630-L714 HydrophobicContact CD2-CD2 3.99Å; L630-L734 HydrophobicContact CD2-CD1 3.88Å |
| 631 | S | 88.8 | Confident | 85.7 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 8% | 0.077 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 177.7 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | V627 L628 A633 V634 V635 M657 | V627-S631 WeakPolarHBondContact O-CB 3.34Å; V627-S631 PolarHBondContact O-N 2.92Å; V627-S631 PolarHBondContact O-OG 3.04Å; L628-S631 WeakPolarHBondContact CA-OG 3.45Å; L628-S631 PolarHBondContact O-N 3.46Å; L628-S631 PolarHBondContact O-OG 2.92Å; S631-A633 PolarHBondContact O-N 3.23Å; S631-V634 PolarHBondContact O-N 3.04Å; S631-V635 WeakPolarHBondContact O-CG2 3.46Å; S631-V635 PolarHBondContact O-N 3.24Å; S631-M657 WeakPolarHBondContact OG-CE 3.4Å |
| 632 | L | 89.1 | Confident | 83.8 | Confident | 91 Ų | 91 | 63.9 Ų | 63.9 | 48% | 0.476 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 173 | -174.4 | 64.7 | 0 | 0 | 0 | 112.2 | L628 L629 L630 V634 V635 T636 | L628-L632 WeakPolarHBondContact O-CB 3.28Å; L628-L632 PolarHBondContact O-N 3.34Å; L629-L632 PolarHBondContact O-N 2.8Å; L630-L632 PolarHBondContact O-N 2.85Å; L632-V634 VanDerWaalsContact C-N 3.31Å; L632-V634 PolarHBondContact O-N 3.44Å; L632-V635 PolarHBondContact O-N 2.9Å; L632-T636 HydrophobicContact CD1-CG2 4.4Å; L632-T636 HydrophobicContact CG-CG2 4.48Å; L632-T636 WeakPolarHBondContact O-CB 3.43Å; L632-T636 VanDerWaalsContact O-CG2 3.3Å; L632-T636 WeakPolarHBondContact O-CG2 3.21Å; L632-T636 PolarHBondContact O-N 3.49Å; L632-T636 PolarHBondContact O-OG1 3.26Å |
| 633 | A | 86.4 | Confident | 82 | Confident | 48 Ų | 48 | 65.7 Ų | 65.7 | 40% | 0.397 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L629 L630 S631 T636 T637 | L629-A633 WeakPolarHBondContact O-CB 3.34Å; L629-A633 PolarHBondContact O-N 3.48Å; L630-A633 WeakPolarHBondContact O-CB 3.4Å; L630-A633 PolarHBondContact O-N 2.82Å; S631-A633 PolarHBondContact O-N 3.23Å; A633-T636 WeakPolarHBondContact CA-OG1 3.46Å; A633-T636 PolarHBondContact O-OG1 3.16Å; A633-T637 WeakPolarHBondContact O-CB 3.49Å; A633-T637 PolarHBondContact O-N 3.42Å; A633-T637 PolarHBondContact O-OG1 3.27Å |
| 634 | V | 82.9 | Confident | 80.2 | Confident | 40 Ų | 40 | 75.3 Ų | 75.3 | 24% | 0.242 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 174.5 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L630 S631 L632 T636 T637 L638 A711 | L630-V634 WeakPolarHBondContact O-CG2 3.46Å; L630-V634 PolarHBondContact O-N 3.32Å; S631-V634 PolarHBondContact O-N 3.04Å; L632-V634 VanDerWaalsContact C-N 3.31Å; L632-V634 PolarHBondContact O-N 3.44Å; V634-T636 PolarHBondContact O-N 3.15Å; V634-T637 WeakPolarHBondContact CA-OG1 3.3Å; V634-T637 PolarHBondContact O-N 2.85Å; V634-T637 PolarHBondContact O-OG1 3.49Å; V634-L638 HydrophobicContact CG1-CD1 3.81Å; V634-L638 HydrophobicContact CG1-CG 4.42Å; V634-L638 WeakPolarHBondContact O-CB 3.38Å; V634-L638 WeakPolarHBondContact O-CG 3.37Å; V634-L638 PolarHBondContact O-N 2.86Å; V634-A711 HydrophobicContact CG1-CB 4.33Å |
| 635 | V | 80.9 | Confident | 78.4 | Confident | 35 Ų | 35 | 77.3 Ų | 77.3 | 21% | 0.212 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60 | -47.2 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | S631 L632 T637 L638 G639 L650 L653 | S631-V635 WeakPolarHBondContact O-CG2 3.46Å; S631-V635 PolarHBondContact O-N 3.24Å; L632-V635 PolarHBondContact O-N 2.9Å; V635-T637 PolarHBondContact O-N 2.81Å; V635-L638 PolarHBondContact O-N 2.75Å; V635-G639 PolarHBondContact O-N 3.27Å; V635-L650 HydrophobicContact CG1-CD1 4.36Å; V635-L653 HydrophobicContact CG2-CD2 3.43Å; V635-L653 VanDerWaalsContact CG2-CD2 3.43Å; V635-L653 HydrophobicContact CG2-CG 4.27Å |
| 636 | T | 81.1 | Confident | 76.9 | Confident | 69 Ų | 69 | 76 Ų | 76 | 42% | 0.423 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.2 | -37.2 | -178.7 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | L632 A633 V634 G639 K640 | L632-T636 HydrophobicContact CD1-CG2 4.4Å; L632-T636 HydrophobicContact CG-CG2 4.48Å; L632-T636 WeakPolarHBondContact O-CB 3.43Å; L632-T636 VanDerWaalsContact O-CG2 3.3Å; L632-T636 WeakPolarHBondContact O-CG2 3.21Å; L632-T636 PolarHBondContact O-N 3.49Å; L632-T636 PolarHBondContact O-OG1 3.26Å; A633-T636 WeakPolarHBondContact CA-OG1 3.46Å; A633-T636 PolarHBondContact O-OG1 3.16Å; V634-T636 PolarHBondContact O-N 3.15Å; T636-G639 PolarHBondContact O-N 3.36Å; T636-K640 WeakPolarHBondContact O-CB 3.41Å; T636-K640 WeakPolarHBondContact O-CG 3.5Å; T636-K640 PolarHBondContact O-N 3.02Å |
| 637 | T | 77.5 | Confident | 75.6 | Confident | 69 Ų | 69 | 81.3 Ų | 81.3 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.9 | -34.3 | 174.5 | 42.5 | 0 | 0 | 0 | 0 | 112.9 | A633 V634 V635 R641 | A633-T637 WeakPolarHBondContact O-CB 3.49Å; A633-T637 PolarHBondContact O-N 3.42Å; A633-T637 PolarHBondContact O-OG1 3.27Å; V634-T637 WeakPolarHBondContact CA-OG1 3.3Å; V634-T637 PolarHBondContact O-N 2.85Å; V634-T637 PolarHBondContact O-OG1 3.49Å; V635-T637 PolarHBondContact O-N 2.81Å; T637-R641 VanDerWaalsContact O-CG 3.3Å; T637-R641 WeakPolarHBondContact O-CG 3.2Å; T637-R641 PolarHBondContact O-N 3.14Å |
| 638 | L | 71.5 | Confident | 74.5 | Confident | 12 Ų | 12 | 83 Ų | 83 | 6% | 0.063 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 172.3 | -71.6 | 169.5 | 0 | 0 | 0 | 111.6 | V634 V635 R641 I643 L645 Q708 | V634-L638 HydrophobicContact CG1-CD1 3.81Å; V634-L638 HydrophobicContact CG1-CG 4.42Å; V634-L638 WeakPolarHBondContact O-CB 3.38Å; V634-L638 WeakPolarHBondContact O-CG 3.37Å; V634-L638 PolarHBondContact O-N 2.86Å; V635-L638 PolarHBondContact O-N 2.75Å; L638-R641 PolarHBondContact O-N 3.34Å; L638-I643 HydrophobicContact CD2-CD1 4.26Å; L638-L645 HydrophobicContact CB-CD1 4.09Å; L638-L645 HydrophobicContact CD1-CD1 4.28Å; L638-Q708 HydrophobicContact CD1-CG 4Å; L638-Q708 HydrophobicContact CD2-CG 4.26Å |
| 639 | G | 67.4 | Low | 73.7 | Confident | 51 Ų | 51 | 83.7 Ų | 83.7 | 53% | 0.526 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V635 T636 R641 N642 | V635-G639 PolarHBondContact O-N 3.27Å; T636-G639 PolarHBondContact O-N 3.36Å; G639-R641 PolarHBondContact O-N 3.15Å; G639-N642 PolarHBondContact O-N 2.66Å |
| 640 | K | 67.4 | Low | 73.1 | Confident | 180 Ų | 180 | 82.8 Ų | 82.8 | 78% | 0.783 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.6 | -24.4 | 176.4 | -76.1 | 179.8 | -178.4 | -178 | 0 | 113.9 | T636 N642 | T636-K640 WeakPolarHBondContact O-CB 3.41Å; T636-K640 WeakPolarHBondContact O-CG 3.5Å; T636-K640 PolarHBondContact O-N 3.02Å; K640-N642 VanDerWaalsContact C-N 3.32Å |
| 641 | R | 61.9 | Low | 72.8 | Confident | 165 Ų | 165 | 84.5 Ų | 84.5 | 62% | 0.623 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 5.3 | -177.7 | -75.3 | 178.1 | 176 | -179.6 | 2.1 | 113.8 | T637 L638 G639 I643 | T637-R641 VanDerWaalsContact O-CG 3.3Å; T637-R641 WeakPolarHBondContact O-CG 3.2Å; T637-R641 PolarHBondContact O-N 3.14Å; L638-R641 PolarHBondContact O-N 3.34Å; G639-R641 PolarHBondContact O-N 3.15Å; R641-I643 HydrophobicContact CB-CD1 4.07Å; R641-I643 HydrophobicContact CB-CG1 4.05Å; R641-I643 PolarHBondContact O-N 2.89Å |
| 642 | N | 53.7 | Low | 72.7 | Confident | 150 Ų | 150 | 85.1 Ų | 85.1 | 80% | 0.802 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 26.5 | -177.7 | -77.3 | -21.2 | 0 | 0 | 0 | 114 | G639 K640 K644 | G639-N642 PolarHBondContact O-N 2.66Å; K640-N642 VanDerWaalsContact C-N 3.32Å; N642-K644 PolarHBondContact O-N 2.73Å |
| 643 | I | 59 | Low | 72.6 | Confident | 67 Ų | 67 | 81.7 Ų | 81.7 | 34% | 0.344 | 43% | 0.434 | S | S | . | . | trans | -75.8 | 111.6 | 172 | -60.3 | 173.1 | 0 | 0 | 0 | 105.5 | L638 R641 L645 | L638-I643 HydrophobicContact CD2-CD1 4.26Å; R641-I643 HydrophobicContact CB-CD1 4.07Å; R641-I643 HydrophobicContact CB-CG1 4.05Å; R641-I643 PolarHBondContact O-N 2.89Å; I643-L645 VanDerWaalsContact C-N 3.28Å; I643-L645 PolarHBondContact O-N 2.95Å | ||
| 644 | K | 55.6 | Low | 72.7 | Confident | 203 Ų | 203 | 83.7 Ų | 83.7 | 88% | 0.883 | 44% | 0.437 | S | S | * | . | trans | -62.4 | 90 | 174.9 | -75.9 | -178.1 | 178.2 | 178.3 | 0 | 108.7 | N642 V646 | N642-K644 PolarHBondContact O-N 2.73Å; K644-V646 PolarHBondContact O-N 3.36Å | ||
| 645 | L | 58 | Low | 73.1 | Confident | 42 Ų | 42 | 86.3 Ų | 86.3 | 22% | 0.22 | 45% | 0.449 | C | S | . | . | trans | -59.3 | 130.6 | 163.7 | -101.9 | 83.9 | 0 | 0 | 0 | 107.3 | L638 I643 K647 E649 L650 | L638-L645 HydrophobicContact CB-CD1 4.09Å; L638-L645 HydrophobicContact CD1-CD1 4.28Å; I643-L645 VanDerWaalsContact C-N 3.28Å; I643-L645 PolarHBondContact O-N 2.95Å; L645-K647 PolarHBondContact O-N 3.34Å; L645-E649 HydrophobicContact CD2-CB 4.3Å; L645-L650 HydrophobicContact CB-CB 4.49Å; L645-L650 HydrophobicContact CD2-CB 3.85Å; L645-L650 HydrophobicContact CD2-CD1 4.18Å | ||
| 646 | V | 65.6 | Low | 73.6 | Confident | 95 Ų | 95 | 85 Ų | 85 | 58% | 0.576 | 44% | 0.441 | S | S | * | . | trans | -62.2 | 135.7 | 168.5 | -179.6 | 0 | 0 | 0 | 0 | 106.6 | K644 G648 E649 L650 | K644-V646 PolarHBondContact O-N 3.36Å; V646-G648 PolarHBondContact O-N 3.46Å; V646-E649 HydrophobicContact CB-CG 4.14Å; V646-E649 PolarHBondContact N-OE2 3.49Å; V646-E649 VanDerWaalsContact N-OE2 3.14Å; V646-E649 PolarHBondContact O-N 3.25Å; V646-L650 PolarHBondContact O-N 2.78Å | ||
| 647 | K | 67.5 | Low | 74.2 | Confident | 193 Ų | 193 | 83.3 Ų | 83.3 | 84% | 0.839 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -48.7 | -33.8 | -176.7 | -74.3 | -177.4 | 176.4 | -179.7 | 0 | 113 | L645 L651 | L645-K647 PolarHBondContact O-N 3.34Å; K647-L651 WeakPolarHBondContact O-CB 3.32Å; K647-L651 PolarHBondContact O-N 3.26Å |
| 648 | G | 71.6 | Confident | 75 | Confident | 40 Ų | 40 | 84.4 Ų | 84.4 | 41% | 0.412 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.9 | -37.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | V646 L651 V652 | V646-G648 PolarHBondContact O-N 3.46Å; G648-L651 WeakPolarHBondContact O-CB 3.45Å; G648-L651 PolarHBondContact O-N 3.29Å; G648-V652 WeakPolarHBondContact O-CG2 3.25Å; G648-V652 PolarHBondContact O-N 3.1Å |
| 649 | E | 77.3 | Confident | 76.1 | Confident | 46 Ų | 46 | 84.8 Ų | 84.8 | 22% | 0.215 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -69.5 | -38.8 | 179.7 | -64 | 173 | 144.6 | 0 | 0 | 111.7 | L645 V646 L651 V652 L653 S703 | L645-E649 HydrophobicContact CD2-CB 4.3Å; V646-E649 HydrophobicContact CB-CG 4.14Å; V646-E649 PolarHBondContact N-OE2 3.49Å; V646-E649 VanDerWaalsContact N-OE2 3.14Å; V646-E649 PolarHBondContact O-N 3.25Å; E649-L651 VanDerWaalsContact C-N 3.33Å; E649-V652 PolarHBondContact O-N 2.94Å; E649-L653 PolarHBondContact O-N 3.08Å; E649-S703 WeakPolarHBondContact OE1-CA 3.38Å; E649-S703 WeakPolarHBondContact OE1-CB 3.42Å; E649-S703 PolarHBondContact OE1-OG 3.44Å |
| 650 | L | 80.1 | Confident | 77.4 | Confident | 66 Ų | 66 | 82.3 Ų | 82.3 | 35% | 0.346 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 174.5 | -178.6 | 64.2 | 0 | 0 | 0 | 110.8 | V635 L645 V646 L653 L654 | V635-L650 HydrophobicContact CG1-CD1 4.36Å; L645-L650 HydrophobicContact CB-CB 4.49Å; L645-L650 HydrophobicContact CD2-CB 3.85Å; L645-L650 HydrophobicContact CD2-CD1 4.18Å; V646-L650 PolarHBondContact O-N 2.78Å; L650-L653 PolarHBondContact O-N 3.4Å; L650-L654 HydrophobicContact CD1-CG 4.5Å; L650-L654 HydrophobicContact CG-CD1 4.15Å; L650-L654 WeakPolarHBondContact O-CG 3.35Å; L650-L654 PolarHBondContact O-N 2.92Å |
| 651 | L | 84.6 | Confident | 78.8 | Confident | 102 Ų | 102 | 77 Ų | 77 | 53% | 0.534 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 175.9 | -178.2 | 64.1 | 0 | 0 | 0 | 111.5 | K647 G648 E649 L653 L654 L655 | K647-L651 WeakPolarHBondContact O-CB 3.32Å; K647-L651 PolarHBondContact O-N 3.26Å; G648-L651 WeakPolarHBondContact O-CB 3.45Å; G648-L651 PolarHBondContact O-N 3.29Å; E649-L651 VanDerWaalsContact C-N 3.33Å; L651-L653 VanDerWaalsContact C-N 3.35Å; L651-L653 PolarHBondContact O-N 3.45Å; L651-L654 PolarHBondContact O-N 3.28Å; L651-L655 HydrophobicContact CD1-CD1 4.44Å; L651-L655 HydrophobicContact CD1-CG 4.4Å; L651-L655 HydrophobicContact CG-CD1 4.11Å; L651-L655 HydrophobicContact CG-CG 4.49Å; L651-L655 WeakPolarHBondContact O-CB 3.35Å; L651-L655 VanDerWaalsContact O-CG 3.28Å; L651-L655 WeakPolarHBondContact O-CG 3.22Å; L651-L655 PolarHBondContact O-N 2.82Å |
| 652 | V | 87.3 | Confident | 80.4 | Confident | 24 Ų | 24 | 72.6 Ų | 72.6 | 15% | 0.145 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.1 | -45.6 | 176.7 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | G648 E649 L654 L655 Q656 L701 | G648-V652 WeakPolarHBondContact O-CG2 3.25Å; G648-V652 PolarHBondContact O-N 3.1Å; E649-V652 PolarHBondContact O-N 2.94Å; V652-L654 PolarHBondContact O-N 3.34Å; V652-L655 PolarHBondContact O-N 3.16Å; V652-Q656 HydrophobicContact CG1-CG 4.48Å; V652-Q656 VanDerWaalsContact O-CG 3.31Å; V652-Q656 WeakPolarHBondContact O-CG 3.22Å; V652-Q656 PolarHBondContact O-N 3.26Å; V652-L701 HydrophobicContact CG2-CB 4.29Å |
| 653 | L | 86.4 | Confident | 82.4 | Confident | 19 Ų | 19 | 65.4 Ų | 65.4 | 10% | 0.099 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.4 | -40.3 | -179.9 | -171.2 | 63.9 | 0 | 0 | 0 | 112.3 | V635 E649 L650 L651 Q656 M657 L715 | V635-L653 HydrophobicContact CG2-CD2 3.43Å; V635-L653 VanDerWaalsContact CG2-CD2 3.43Å; V635-L653 HydrophobicContact CG2-CG 4.27Å; E649-L653 PolarHBondContact O-N 3.08Å; L650-L653 PolarHBondContact O-N 3.4Å; L651-L653 VanDerWaalsContact C-N 3.35Å; L651-L653 PolarHBondContact O-N 3.45Å; L653-Q656 PolarHBondContact O-N 3.19Å; L653-M657 WeakPolarHBondContact O-CG 3.28Å; L653-M657 PolarHBondContact O-N 3.43Å; L653-L715 HydrophobicContact CD1-CD2 3.8Å |
| 654 | L | 88.8 | Confident | 84.1 | Confident | 89 Ų | 89 | 63.4 Ų | 63.4 | 47% | 0.466 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 175.2 | -70.5 | 173.3 | 0 | 0 | 0 | 112.2 | L650 L651 V652 Q656 M657 L658 | L650-L654 HydrophobicContact CD1-CG 4.5Å; L650-L654 HydrophobicContact CG-CD1 4.15Å; L650-L654 WeakPolarHBondContact O-CG 3.35Å; L650-L654 PolarHBondContact O-N 2.92Å; L651-L654 PolarHBondContact O-N 3.28Å; V652-L654 PolarHBondContact O-N 3.34Å; L654-Q656 VanDerWaalsContact C-N 3.34Å; L654-M657 PolarHBondContact O-N 3.04Å; L654-L658 PolarHBondContact O-N 3.37Å |
| 655 | L | 90.9 | Very high | 86 | Confident | 96 Ų | 96 | 60.6 Ų | 60.6 | 50% | 0.503 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 174.3 | -72.5 | 172.2 | 0 | 0 | 0 | 111.8 | L651 V652 L658 S659 | L651-L655 HydrophobicContact CD1-CD1 4.44Å; L651-L655 HydrophobicContact CD1-CG 4.4Å; L651-L655 HydrophobicContact CG-CD1 4.11Å; L651-L655 HydrophobicContact CG-CG 4.49Å; L651-L655 WeakPolarHBondContact O-CB 3.35Å; L651-L655 VanDerWaalsContact O-CG 3.28Å; L651-L655 WeakPolarHBondContact O-CG 3.22Å; L651-L655 PolarHBondContact O-N 2.82Å; V652-L655 PolarHBondContact O-N 3.16Å; L655-L658 PolarHBondContact O-N 3.08Å; L655-S659 WeakPolarHBondContact O-CB 3.26Å; L655-S659 PolarHBondContact O-N 2.91Å |
| 656 | Q | 93.1 | Very high | 87.8 | Confident | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.8 | -38.7 | 174.4 | -71.6 | 177.1 | -47.5 | 0 | 0 | 111.7 | V652 L653 L654 S659 T660 A698 S712 L715 S716 | V652-Q656 HydrophobicContact CG1-CG 4.48Å; V652-Q656 VanDerWaalsContact O-CG 3.31Å; V652-Q656 WeakPolarHBondContact O-CG 3.22Å; V652-Q656 PolarHBondContact O-N 3.26Å; L653-Q656 PolarHBondContact O-N 3.19Å; L654-Q656 VanDerWaalsContact C-N 3.34Å; Q656-S659 WeakPolarHBondContact O-CB 3.43Å; Q656-S659 PolarHBondContact O-N 3.49Å; Q656-T660 PolarHBondContact O-N 3.04Å; Q656-T660 PolarHBondContact O-OG1 3.5Å; Q656-A698 HydrophobicContact CG-CB 4.11Å; Q656-S712 VanDerWaalsContact CD-OG 3.28Å; Q656-S712 PolarHBondContact NE2-O 3.48Å; Q656-S712 PolarHBondContact NE2-OG 2.92Å; Q656-S712 PolarHBondContact OE1-OG 3.01Å; Q656-L715 HydrophobicContact CB-CB 4.29Å; Q656-L715 HydrophobicContact CB-CD2 3.42Å; Q656-L715 VanDerWaalsContact CB-CD2 3.42Å; Q656-L715 HydrophobicContact CB-CG 3.75Å; Q656-S716 PolarHBondContact NE2-OG 3.13Å |
| 657 | M | 93.6 | Very high | 89 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 16% | 0.158 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 173.5 | -70.7 | -179.1 | 68.6 | 0 | 0 | 111.4 | L628 S631 L653 L654 S659 T660 V661 L715 | L628-M657 HydrophobicContact CD2-CB 4.18Å; L628-M657 HydrophobicContact CD2-CE 4.23Å; S631-M657 WeakPolarHBondContact OG-CE 3.4Å; L653-M657 WeakPolarHBondContact O-CG 3.28Å; L653-M657 PolarHBondContact O-N 3.43Å; L654-M657 PolarHBondContact O-N 3.04Å; M657-S659 VanDerWaalsContact C-N 3.31Å; M657-S659 PolarHBondContact O-N 2.96Å; M657-T660 WeakPolarHBondContact O-CB 3.45Å; M657-T660 PolarHBondContact O-N 3.22Å; M657-V661 PolarHBondContact O-N 3.35Å; M657-V661 VanDerWaalsContact O-N 3.1Å; M657-L715 HydrophobicContact CB-CD2 4.47Å; M657-L715 HydrophobicContact CG-CD2 3.69Å |
| 658 | L | 94.1 | Very high | 90.2 | Very high | 93 Ų | 93 | 51.8 Ų | 51.8 | 49% | 0.487 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 174.1 | 179.9 | 63.3 | 0 | 0 | 0 | 111.3 | L654 L655 T660 V661 L662 | L654-L658 PolarHBondContact O-N 3.37Å; L655-L658 PolarHBondContact O-N 3.08Å; L658-T660 VanDerWaalsContact C-N 3.3Å; L658-T660 PolarHBondContact O-N 3.43Å; L658-V661 WeakPolarHBondContact O-CB 3.38Å; L658-V661 PolarHBondContact O-N 2.95Å; L658-V661 VanDerWaalsContact O-N 3.15Å; L658-L662 HydrophobicContact CG-CD1 4.26Å; L658-L662 HydrophobicContact CG-CG 4.48Å; L658-L662 WeakPolarHBondContact O-CG 3.39Å; L658-L662 PolarHBondContact O-N 2.96Å |
| 659 | S | 94.3 | Very high | 91.3 | Very high | 19 Ų | 19 | 51.1 Ų | 51.1 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | L655 Q656 M657 L662 S663 | L655-S659 WeakPolarHBondContact O-CB 3.26Å; L655-S659 PolarHBondContact O-N 2.91Å; Q656-S659 WeakPolarHBondContact O-CB 3.43Å; Q656-S659 PolarHBondContact O-N 3.49Å; M657-S659 VanDerWaalsContact C-N 3.31Å; M657-S659 PolarHBondContact O-N 2.96Å; S659-L662 PolarHBondContact O-N 3.34Å; S659-S663 WeakPolarHBondContact O-CB 3.32Å; S659-S663 PolarHBondContact O-N 2.93Å; S659-S663 PolarHBondContact O-OG 3.18Å |
| 660 | T | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -44.2 | 172.6 | -56 | 0 | 0 | 0 | 0 | 111.7 | V627 L628 Q656 M657 L658 S663 M664 L715 S719 L722 | V627-T660 HydrophobicContact CG1-CG2 4.26Å; L628-T660 HydrophobicContact CD2-CG2 4.17Å; L628-T660 HydrophobicContact CG-CG2 4.19Å; Q656-T660 PolarHBondContact O-N 3.04Å; Q656-T660 PolarHBondContact O-OG1 3.5Å; M657-T660 WeakPolarHBondContact O-CB 3.45Å; M657-T660 PolarHBondContact O-N 3.22Å; L658-T660 VanDerWaalsContact C-N 3.3Å; L658-T660 PolarHBondContact O-N 3.43Å; T660-S663 WeakPolarHBondContact O-CB 3.3Å; T660-S663 PolarHBondContact O-N 3.27Å; T660-M664 WeakPolarHBondContact O-CG 3.29Å; T660-M664 PolarHBondContact O-N 3.2Å; T660-L715 WeakPolarHBondContact OG1-CD1 3.37Å; T660-S719 WeakPolarHBondContact CA-OG 3.38Å; T660-S719 PolarHBondContact N-OG 2.92Å; T660-S719 PolarHBondContact OG1-OG 2.91Å; T660-L722 HydrophobicContact CG2-CD1 3.84Å |
| 661 | V | 96.1 | Very high | 92.1 | Very high | 69 Ų | 69 | 49.3 Ų | 49.3 | 42% | 0.418 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 175.8 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | L628 M657 L658 S663 M664 Y665 | L628-V661 HydrophobicContact CD1-CG2 3.71Å; L628-V661 HydrophobicContact CD2-CG2 4.05Å; M657-V661 PolarHBondContact O-N 3.35Å; M657-V661 VanDerWaalsContact O-N 3.1Å; L658-V661 WeakPolarHBondContact O-CB 3.38Å; L658-V661 PolarHBondContact O-N 2.95Å; L658-V661 VanDerWaalsContact O-N 3.15Å; V661-S663 VanDerWaalsContact C-N 3.29Å; V661-S663 PolarHBondContact O-N 3.24Å; V661-M664 PolarHBondContact O-N 3.15Å; V661-Y665 PolarHBondContact O-N 2.89Å |
| 662 | L | 95.1 | Very high | 92.2 | Very high | 71 Ų | 71 | 48.2 Ų | 48.2 | 37% | 0.372 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 175.8 | -73 | 172.6 | 0 | 0 | 0 | 111.3 | L658 S659 Y665 V666 V687 | L658-L662 HydrophobicContact CG-CD1 4.26Å; L658-L662 HydrophobicContact CG-CG 4.48Å; L658-L662 WeakPolarHBondContact O-CG 3.39Å; L658-L662 PolarHBondContact O-N 2.96Å; S659-L662 PolarHBondContact O-N 3.34Å; L662-Y665 PolarHBondContact O-N 3.3Å; L662-V666 WeakPolarHBondContact O-CB 3.41Å; L662-V666 VanDerWaalsContact O-CG2 3.28Å; L662-V666 WeakPolarHBondContact O-CG2 3.32Å; L662-V666 PolarHBondContact O-N 3.13Å; L662-V687 HydrophobicContact CB-CG1 4.3Å |
| 663 | S | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 177.1 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | S659 T660 V661 Y665 V666 V667 S719 | S659-S663 WeakPolarHBondContact O-CB 3.32Å; S659-S663 PolarHBondContact O-N 2.93Å; S659-S663 PolarHBondContact O-OG 3.18Å; T660-S663 WeakPolarHBondContact O-CB 3.3Å; T660-S663 PolarHBondContact O-N 3.27Å; V661-S663 VanDerWaalsContact C-N 3.29Å; V661-S663 PolarHBondContact O-N 3.24Å; S663-Y665 VanDerWaalsContact C-N 3.35Å; S663-Y665 PolarHBondContact O-N 3.4Å; S663-V666 PolarHBondContact O-N 2.94Å; S663-V667 VanDerWaalsContact O-CG2 3.31Å; S663-V667 WeakPolarHBondContact O-CG2 3.4Å; S663-V667 PolarHBondContact O-N 2.94Å; S663-S719 WeakPolarHBondContact CB-O 3.44Å; S663-S719 PolarHBondContact OG-O 3.48Å; S663-S719 VanDerWaalsContact OG-O 3.13Å |
| 664 | M | 95.9 | Very high | 91.6 | Very high | 25 Ų | 25 | 50.7 Ų | 50.7 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 174.4 | -69.2 | 173.7 | 65.6 | 0 | 0 | 112 | M621 G624 L628 T660 V661 V667 Y668 L722 | M621-M664 HydrophobicContact CB-CE 4.38Å; M621-M664 HydrophobicContact CE-CB 3.94Å; M621-M664 HydrophobicContact CE-CE 3.67Å; M621-M664 WeakPolarHBondContact O-CE 3.34Å; M621-M664 HydrophobicContact SD-CB 3.98Å; M621-M664 HydrophobicContact SD-CE 4.13Å; M621-M664 HydrophobicContact SD-CG 4.4Å; G624-M664 VanDerWaalsContact C-SD 3.6Å; L628-M664 HydrophobicContact CD1-SD 4.01Å; T660-M664 WeakPolarHBondContact O-CG 3.29Å; T660-M664 PolarHBondContact O-N 3.2Å; V661-M664 PolarHBondContact O-N 3.15Å; M664-V667 PolarHBondContact O-N 2.97Å; M664-Y668 WeakPolarHBondContact O-CB 3.43Å; M664-Y668 PolarHBondContact O-N 3.45Å; M664-L722 HydrophobicContact CG-CD1 4.26Å |
| 665 | Y | 95 | Very high | 91.1 | Very high | 144 Ų | 144 | 51.3 Ų | 51.3 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 177.1 | 174.5 | -97.1 | 0 | 0 | 0 | 111.9 | V661 L662 S663 Y668 S669 | V661-Y665 PolarHBondContact O-N 2.89Å; L662-Y665 PolarHBondContact O-N 3.3Å; S663-Y665 VanDerWaalsContact C-N 3.35Å; S663-Y665 PolarHBondContact O-N 3.4Å; Y665-Y668 PolarHBondContact O-N 3.18Å; Y665-S669 WeakPolarHBondContact O-CB 3.26Å; Y665-S669 PolarHBondContact O-N 2.87Å |
| 666 | V | 95 | Very high | 90.6 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.024 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.3 | -45 | 179 | 165.6 | 0 | 0 | 0 | 0 | 111.2 | L662 S663 T670 N684 V687 L723 | L662-V666 WeakPolarHBondContact O-CB 3.41Å; L662-V666 VanDerWaalsContact O-CG2 3.28Å; L662-V666 WeakPolarHBondContact O-CG2 3.32Å; L662-V666 PolarHBondContact O-N 3.13Å; S663-V666 PolarHBondContact O-N 2.94Å; V666-T670 WeakPolarHBondContact O-CB 3.35Å; V666-T670 PolarHBondContact O-N 2.86Å; V666-T670 PolarHBondContact O-OG1 3.35Å; V666-N684 HydrophobicContact CG1-CB 4Å; V666-V687 HydrophobicContact CG2-CB 3.93Å; V666-V687 HydrophobicContact CG2-CG1 3.62Å; V666-L723 HydrophobicContact CB-CD2 4.01Å; V666-L723 HydrophobicContact CG1-CD2 3.74Å |
| 667 | V | 92.6 | Very high | 89.5 | Confident | 20 Ų | 20 | 57.2 Ų | 57.2 | 12% | 0.121 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 176.7 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | L617 V620 S663 M664 T670 H671 L722 L723 | L617-V667 HydrophobicContact CD1-CG1 3.51Å; V620-V667 HydrophobicContact CG1-CG1 4.4Å; S663-V667 VanDerWaalsContact O-CG2 3.31Å; S663-V667 WeakPolarHBondContact O-CG2 3.4Å; S663-V667 PolarHBondContact O-N 2.94Å; M664-V667 PolarHBondContact O-N 2.97Å; V667-T670 PolarHBondContact O-N 3.28Å; V667-H671 WeakPolarHBondContact O-CB 3.38Å; V667-H671 PolarHBondContact O-N 3Å; V667-L722 WeakPolarHBondContact CG2-O 3.44Å; V667-L723 HydrophobicContact CG2-CD2 4.19Å |
| 668 | Y | 92.8 | Very high | 88.6 | Confident | 120 Ų | 120 | 61.9 Ų | 61.9 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.4 | -49 | 178.5 | 178.1 | -92.5 | 0 | 0 | 0 | 112.6 | L617 M664 Y665 T670 H671 H672 | L617-Y668 HydrophobicContact CD2-CD2 3.79Å; M664-Y668 WeakPolarHBondContact O-CB 3.43Å; M664-Y668 PolarHBondContact O-N 3.45Å; Y665-Y668 PolarHBondContact O-N 3.18Å; Y668-T670 PolarHBondContact O-N 3.04Å; Y668-H671 PolarHBondContact O-N 3.44Å; Y668-H672 WeakPolarHBondContact O-CB 3.47Å; Y668-H672 PolarHBondContact O-N 3.47Å |
| 669 | S | 93.3 | Very high | 87.7 | Confident | 26 Ų | 26 | 59.1 Ų | 59.1 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 178.7 | 169.7 | 0 | 0 | 0 | 0 | 111.4 | Y665 H672 S673 N684 | Y665-S669 WeakPolarHBondContact O-CB 3.26Å; Y665-S669 PolarHBondContact O-N 2.87Å; S669-H672 PolarHBondContact O-N 3.31Å; S669-S673 VanDerWaalsContact O-CB 3.26Å; S669-S673 WeakPolarHBondContact O-CB 3.21Å; S669-S673 PolarHBondContact O-N 3.4Å; S669-N684 PolarHBondContact OG-ND2 3.2Å |
| 670 | T | 88.6 | Confident | 87 | Confident | 26 Ų | 26 | 62.6 Ų | 62.6 | 16% | 0.16 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 177.4 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | V666 V667 Y668 H672 S673 L674 L680 N684 | V666-T670 WeakPolarHBondContact O-CB 3.35Å; V666-T670 PolarHBondContact O-N 2.86Å; V666-T670 PolarHBondContact O-OG1 3.35Å; V667-T670 PolarHBondContact O-N 3.28Å; Y668-T670 PolarHBondContact O-N 3.04Å; T670-H672 VanDerWaalsContact C-N 3.31Å; T670-H672 PolarHBondContact O-N 3.48Å; T670-S673 PolarHBondContact O-N 3.06Å; T670-L674 HydrophobicContact CG2-CD1 3.92Å; T670-L674 HydrophobicContact CG2-CG 4.35Å; T670-L674 WeakPolarHBondContact O-CB 3.4Å; T670-L674 VanDerWaalsContact O-CG 3.26Å; T670-L674 WeakPolarHBondContact O-CG 3.5Å; T670-L674 PolarHBondContact O-N 3.37Å; T670-L680 HydrophobicContact CG2-CD1 3.52Å; T670-N684 PolarHBondContact N-ND2 3.32Å; T670-N684 PolarHBondContact OG1-ND2 3.38Å |
| 671 | H | 85.4 | Confident | 86.8 | Confident | 49 Ų | 49 | 64.3 Ų | 64.3 | 23% | 0.227 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.2 | -45.2 | 176.8 | -175.6 | 72.5 | 0 | 0 | 0 | 111.9 | L617 V667 Y668 L674 L675 | L617-H671 HydrophobicContact CD2-CB 4.15Å; V667-H671 WeakPolarHBondContact O-CB 3.38Å; V667-H671 PolarHBondContact O-N 3Å; Y668-H671 PolarHBondContact O-N 3.44Å; H671-L674 PolarHBondContact O-N 3.21Å; H671-L675 WeakPolarHBondContact O-CG 3.34Å; H671-L675 PolarHBondContact O-N 3.22Å |
| 672 | H | 86.7 | Confident | 86.5 | Confident | 79 Ų | 79 | 66.3 Ų | 66.3 | 37% | 0.366 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.8 | -38.6 | 179.5 | -162.1 | 59.8 | 0 | 0 | 0 | 113.2 | Y668 S669 T670 L674 L675 K676 | Y668-H672 WeakPolarHBondContact O-CB 3.47Å; Y668-H672 PolarHBondContact O-N 3.47Å; S669-H672 PolarHBondContact O-N 3.31Å; T670-H672 VanDerWaalsContact C-N 3.31Å; T670-H672 PolarHBondContact O-N 3.48Å; H672-L674 VanDerWaalsContact C-N 3.35Å; H672-L675 PolarHBondContact O-N 2.97Å; H672-K676 WeakPolarHBondContact NE2-CE 3.46Å; H672-K676 WeakPolarHBondContact O-CB 3.35Å; H672-K676 WeakPolarHBondContact O-CG 3.21Å; H672-K676 PolarHBondContact O-N 3.27Å |
| 673 | S | 83.7 | Confident | 86.4 | Confident | 5 Ų | 5 | 68.9 Ų | 68.9 | 4% | 0.035 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 176.5 | -168 | 0 | 0 | 0 | 0 | 111.3 | S669 T670 K676 K677 E678 G679 P681 | S669-S673 VanDerWaalsContact O-CB 3.26Å; S669-S673 WeakPolarHBondContact O-CB 3.21Å; S669-S673 PolarHBondContact O-N 3.4Å; T670-S673 PolarHBondContact O-N 3.06Å; S673-K676 CarbonylContact O-C 3.54Å; S673-K676 PolarHBondContact O-N 3.01Å; S673-K677 PolarHBondContact O-N 3.47Å; S673-E678 PolarHBondContact O-N 2.86Å; S673-E678 WeakPolarHBondContact OG-CB 3.49Å; S673-G679 PolarHBondContact OG-O 2.93Å; S673-G679 VanDerWaalsContact OG-O 3.04Å; S673-P681 WeakPolarHBondContact OG-CG 3.4Å |
| 674 | L | 78.5 | Confident | 86.3 | Confident | 90 Ų | 90 | 69.3 Ų | 69.3 | 47% | 0.471 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 173.7 | -67.7 | 174.5 | 0 | 0 | 0 | 112.1 | T670 H671 H672 K676 K677 | T670-L674 HydrophobicContact CG2-CD1 3.92Å; T670-L674 HydrophobicContact CG2-CG 4.35Å; T670-L674 WeakPolarHBondContact O-CB 3.4Å; T670-L674 VanDerWaalsContact O-CG 3.26Å; T670-L674 WeakPolarHBondContact O-CG 3.5Å; T670-L674 PolarHBondContact O-N 3.37Å; H671-L674 PolarHBondContact O-N 3.21Å; H672-L674 VanDerWaalsContact C-N 3.35Å; L674-K676 PolarHBondContact O-N 3.27Å; L674-K677 PolarHBondContact O-N 3.02Å |
| 675 | L | 77.7 | Confident | 86.1 | Confident | 102 Ų | 102 | 71.5 Ų | 71.5 | 53% | 0.534 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.2 | -35.4 | 173.1 | -76.1 | 176.8 | 0 | 0 | 0 | 112.4 | H671 H672 K677 | H671-L675 WeakPolarHBondContact O-CG 3.34Å; H671-L675 PolarHBondContact O-N 3.22Å; H672-L675 PolarHBondContact O-N 2.97Å; L675-K677 VanDerWaalsContact C-N 3.31Å |
| 676 | K | 80.8 | Confident | 86.1 | Confident | 113 Ų | 113 | 69 Ų | 69 | 49% | 0.491 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -3.7 | 175.4 | -73.7 | 179.3 | 166.4 | -175.5 | 0 | 114.4 | H672 S673 L674 E678 | H672-K676 WeakPolarHBondContact NE2-CE 3.46Å; H672-K676 WeakPolarHBondContact O-CB 3.35Å; H672-K676 WeakPolarHBondContact O-CG 3.21Å; H672-K676 PolarHBondContact O-N 3.27Å; S673-K676 CarbonylContact O-C 3.54Å; S673-K676 PolarHBondContact O-N 3.01Å; L674-K676 PolarHBondContact O-N 3.27Å; K676-E678 HydrophobicContact CB-CG 4Å; K676-E678 PolarHBondContact O-N 3.48Å |
| 677 | K | 70.2 | Confident | 86 | Confident | 114 Ų | 114 | 70.7 Ų | 70.7 | 50% | 0.496 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 28.7 | -176.7 | -48.9 | 179 | 177.1 | -173.6 | 0 | 114.1 | E226 S673 L674 L675 G679 | E226-K677 IonicContact OE1-NZ 3.63Å; E226-K677 PolarHBondContact OE1-NZ 3.25Å; S673-K677 PolarHBondContact O-N 3.47Å; L674-K677 PolarHBondContact O-N 3.02Å; L675-K677 VanDerWaalsContact C-N 3.31Å; K677-G679 PolarHBondContact O-N 3.37Å |
| 678 | E | 74.3 | Confident | 86.1 | Confident | 131 Ų | 131 | 71.4 Ų | 71.4 | 61% | 0.612 | 36% | 0.364 | S | S | * | . | trans | -84.3 | -0.5 | 176.4 | -69.4 | 169 | 177.2 | 0 | 0 | 112.1 | S673 K676 | S673-E678 PolarHBondContact O-N 2.86Å; S673-E678 WeakPolarHBondContact OG-CB 3.49Å; K676-E678 HydrophobicContact CB-CG 4Å; K676-E678 PolarHBondContact O-N 3.48Å | ||
| 679 | G | 74.8 | Confident | 86.2 | Confident | 34 Ų | 34 | 74.3 Ų | 74.3 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | trans | 80.6 | -155.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | S673 K677 P681 | S673-G679 PolarHBondContact OG-O 2.93Å; S673-G679 VanDerWaalsContact OG-O 3.04Å; K677-G679 PolarHBondContact O-N 3.37Å; G679-P681 WeakPolarHBondContact O-CD 3.47Å | ||
| 680 | L | 80.9 | Confident | 86.2 | Confident | 93 Ų | 93 | 75.7 Ų | 75.7 | 49% | 0.487 | 39% | 0.387 | S | S | . | . | trans | -100.7 | 108 | -179.8 | -166 | 77.5 | 0 | 0 | 0 | 110.2 | T670 L682 Q685 | T670-L680 HydrophobicContact CG2-CD1 3.52Å; L680-L682 PolarHBondContact O-N 3.37Å; L680-Q685 HydrophobicContact CD2-CG 3.45Å; L680-Q685 VanDerWaalsContact CD2-CG 3.45Å; L680-Q685 HydrophobicContact CG-CG 3.92Å; L680-Q685 PolarHBondContact O-NE2 2.89Å; L680-Q685 VanDerWaalsContact O-NE2 3.08Å | ||
| 681 | P | 89.4 | Confident | 86.4 | Confident | 36 Ų | 36 | 74.7 Ų | 74.7 | 23% | 0.234 | 38% | 0.381 | C | S | . | . | trans | -59.8 | 132.3 | -176 | -25 | 34.6 | 0 | 0 | 0 | 112.5 | S673 G679 M683 N684 Q685 | S673-P681 WeakPolarHBondContact OG-CG 3.4Å; G679-P681 WeakPolarHBondContact O-CD 3.47Å; P681-M683 PolarHBondContact O-N 3.12Å; P681-N684 HydrophobicContact CB-CB 4.25Å; P681-N684 WeakPolarHBondContact O-CB 3.25Å; P681-N684 PolarHBondContact O-N 3.27Å; P681-Q685 PolarHBondContact O-N 2.85Å | ||
| 682 | L | 90.7 | Very high | 86.8 | Confident | 110 Ų | 110 | 75.7 Ų | 75.7 | 58% | 0.576 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -55.1 | -38.9 | -179.3 | -179.2 | 65.6 | 0 | 0 | 0 | 112.5 | L680 N684 Q685 I686 | L680-L682 PolarHBondContact O-N 3.37Å; L682-N684 VanDerWaalsContact C-N 3.31Å; L682-N684 PolarHBondContact O-N 2.91Å; L682-Q685 WeakPolarHBondContact O-CB 3.5Å; L682-Q685 PolarHBondContact O-N 3.38Å; L682-I686 HydrophobicContact CD1-CD1 4.45Å; L682-I686 HydrophobicContact CG-CD1 4.02Å; L682-I686 WeakPolarHBondContact O-CG1 3.27Å; L682-I686 PolarHBondContact O-N 3.32Å |
| 683 | M | 92.2 | Very high | 87 | Confident | 125 Ų | 125 | 74.8 Ų | 74.8 | 62% | 0.616 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -63.4 | -37.5 | 177.8 | -66.8 | -61.1 | 147 | 0 | 0 | 112.1 | P681 Q685 I686 V687 | P681-M683 PolarHBondContact O-N 3.12Å; M683-Q685 VanDerWaalsContact C-N 3.31Å; M683-Q685 PolarHBondContact O-N 3.49Å; M683-I686 PolarHBondContact O-N 3.01Å; M683-I686 HydrophobicContact SD-CD1 4.4Å; M683-V687 VanDerWaalsContact O-CG2 3.27Å; M683-V687 WeakPolarHBondContact O-CG2 3.23Å; M683-V687 PolarHBondContact O-N 2.92Å |
| 684 | N | 93.6 | Very high | 87.3 | Confident | 9 Ų | 9 | 77 Ų | 77 | 5% | 0.048 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 176.4 | -69.6 | 4.1 | 0 | 0 | 0 | 110.8 | V666 S669 T670 P681 L682 S688 | V666-N684 HydrophobicContact CG1-CB 4Å; S669-N684 PolarHBondContact OG-ND2 3.2Å; T670-N684 PolarHBondContact N-ND2 3.32Å; T670-N684 PolarHBondContact OG1-ND2 3.38Å; P681-N684 HydrophobicContact CB-CB 4.25Å; P681-N684 WeakPolarHBondContact O-CB 3.25Å; P681-N684 PolarHBondContact O-N 3.27Å; L682-N684 VanDerWaalsContact C-N 3.31Å; L682-N684 PolarHBondContact O-N 2.91Å; N684-S688 VanDerWaalsContact O-CB 3.31Å; N684-S688 WeakPolarHBondContact O-CB 3.19Å; N684-S688 PolarHBondContact O-N 3.35Å; N684-S688 PolarHBondContact O-OG 3.46Å |
| 685 | Q | 91.6 | Very high | 87.9 | Confident | 72 Ų | 72 | 73 Ų | 73 | 34% | 0.336 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.1 | -49.8 | 175.3 | -59.7 | 179.6 | 38.2 | 0 | 0 | 111.4 | L680 P681 L682 M683 V687 S688 W689 | L680-Q685 HydrophobicContact CD2-CG 3.45Å; L680-Q685 VanDerWaalsContact CD2-CG 3.45Å; L680-Q685 HydrophobicContact CG-CG 3.92Å; L680-Q685 PolarHBondContact O-NE2 2.89Å; L680-Q685 VanDerWaalsContact O-NE2 3.08Å; P681-Q685 PolarHBondContact O-N 2.85Å; L682-Q685 WeakPolarHBondContact O-CB 3.5Å; L682-Q685 PolarHBondContact O-N 3.38Å; M683-Q685 VanDerWaalsContact C-N 3.31Å; M683-Q685 PolarHBondContact O-N 3.49Å; Q685-V687 PolarHBondContact O-N 2.99Å; Q685-S688 PolarHBondContact O-N 3.35Å; Q685-W689 PolarHBondContact O-N 2.82Å |
| 686 | I | 94.7 | Very high | 88.4 | Confident | 90 Ų | 90 | 73.9 Ų | 73.9 | 46% | 0.462 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 179.7 | -66 | 167.4 | 0 | 0 | 0 | 110.6 | L682 M683 S688 W689 A690 | L682-I686 HydrophobicContact CD1-CD1 4.45Å; L682-I686 HydrophobicContact CG-CD1 4.02Å; L682-I686 WeakPolarHBondContact O-CG1 3.27Å; L682-I686 PolarHBondContact O-N 3.32Å; M683-I686 PolarHBondContact O-N 3.01Å; M683-I686 HydrophobicContact SD-CD1 4.4Å; I686-S688 VanDerWaalsContact C-N 3.31Å; I686-S688 PolarHBondContact O-N 2.93Å; I686-W689 PolarHBondContact O-N 3.46Å; I686-A690 VanDerWaalsContact O-CB 3.29Å; I686-A690 WeakPolarHBondContact O-CB 3.42Å; I686-A690 PolarHBondContact O-N 2.94Å |
| 687 | V | 94.3 | Very high | 88.8 | Confident | 41 Ų | 41 | 72.2 Ų | 72.2 | 25% | 0.248 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.8 | -37.3 | 179 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | L662 V666 M683 Q685 T691 | L662-V687 HydrophobicContact CB-CG1 4.3Å; V666-V687 HydrophobicContact CG2-CB 3.93Å; V666-V687 HydrophobicContact CG2-CG1 3.62Å; M683-V687 VanDerWaalsContact O-CG2 3.27Å; M683-V687 WeakPolarHBondContact O-CG2 3.23Å; M683-V687 PolarHBondContact O-N 2.92Å; Q685-V687 PolarHBondContact O-N 2.99Å; V687-T691 VanDerWaalsContact O-CB 3.26Å; V687-T691 WeakPolarHBondContact O-CB 3.35Å; V687-T691 PolarHBondContact O-N 3.48Å; V687-T691 PolarHBondContact O-OG1 3.37Å |
| 688 | S | 93.9 | Very high | 89.6 | Confident | 35 Ų | 35 | 67.7 Ų | 67.7 | 25% | 0.245 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.2 | -49.6 | 177.8 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | N684 Q685 I686 T691 L692 | N684-S688 VanDerWaalsContact O-CB 3.31Å; N684-S688 WeakPolarHBondContact O-CB 3.19Å; N684-S688 PolarHBondContact O-N 3.35Å; N684-S688 PolarHBondContact O-OG 3.46Å; Q685-S688 PolarHBondContact O-N 3.35Å; I686-S688 VanDerWaalsContact C-N 3.31Å; I686-S688 PolarHBondContact O-N 2.93Å; S688-T691 PolarHBondContact O-N 3.43Å; S688-L692 PolarHBondContact O-N 3.41Å |
| 689 | W | 94.4 | Very high | 90.2 | Very high | 181 Ų | 181 | 62.2 Ų | 62.2 | 69% | 0.686 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.4 | -41.1 | 177.6 | -74.9 | 115.4 | 0 | 0 | 0 | 112.5 | Q685 I686 T691 L692 A693 | Q685-W689 PolarHBondContact O-N 2.82Å; I686-W689 PolarHBondContact O-N 3.46Å; W689-T691 VanDerWaalsContact C-N 3.33Å; W689-T691 PolarHBondContact O-N 3.45Å; W689-L692 HydrophobicContact CE3-CD2 3.91Å; W689-L692 HydrophobicContact CZ3-CD2 3.77Å; W689-L692 PolarHBondContact O-N 3.44Å; W689-A693 PolarHBondContact O-N 3.16Å |
| 690 | A | 93.6 | Very high | 90.8 | Very high | 55 Ų | 55 | 67 Ų | 67 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | I686 S694 | I686-A690 VanDerWaalsContact O-CB 3.29Å; I686-A690 WeakPolarHBondContact O-CB 3.42Å; I686-A690 PolarHBondContact O-N 2.94Å; A690-S694 VanDerWaalsContact O-CB 3.26Å; A690-S694 WeakPolarHBondContact O-CB 3.41Å; A690-S694 PolarHBondContact O-N 3.3Å; A690-S694 PolarHBondContact O-OG 2.86Å |
| 691 | T | 93.8 | Very high | 91 | Very high | 5 Ų | 5 | 68.2 Ų | 68.2 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -65.9 | -42 | 176.2 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | V687 S688 W689 S694 S695 L723 | V687-T691 VanDerWaalsContact O-CB 3.26Å; V687-T691 WeakPolarHBondContact O-CB 3.35Å; V687-T691 PolarHBondContact O-N 3.48Å; V687-T691 PolarHBondContact O-OG1 3.37Å; S688-T691 PolarHBondContact O-N 3.43Å; W689-T691 VanDerWaalsContact C-N 3.33Å; W689-T691 PolarHBondContact O-N 3.45Å; T691-S694 WeakPolarHBondContact CA-OG 3.49Å; T691-S694 PolarHBondContact O-OG 3.49Å; T691-S695 WeakPolarHBondContact O-CB 3.22Å; T691-S695 PolarHBondContact O-N 3.38Å; T691-S695 PolarHBondContact O-OG 2.97Å; T691-L723 HydrophobicContact CG2-CD1 3.76Å |
| 692 | L | 92.4 | Very high | 90.7 | Very high | 70 Ų | 70 | 67.1 Ų | 67.1 | 37% | 0.366 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 175.2 | 178.4 | 64.4 | 0 | 0 | 0 | 112.2 | S688 W689 S695 T720 | S688-L692 PolarHBondContact O-N 3.41Å; W689-L692 HydrophobicContact CE3-CD2 3.91Å; W689-L692 HydrophobicContact CZ3-CD2 3.77Å; W689-L692 PolarHBondContact O-N 3.44Å; L692-S695 PolarHBondContact O-OG 3.3Å; L692-T720 HydrophobicContact CD1-CG2 3.5Å |
| 693 | A | 91.4 | Very high | 90.4 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 49% | 0.488 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | W689 S695 L696 | W689-A693 PolarHBondContact O-N 3.16Å; A693-S695 PolarHBondContact O-N 3.47Å; A693-L696 PolarHBondContact O-N 3.45Å |
| 694 | S | 91 | Very high | 89.8 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.2 | -28.5 | -179.1 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | A690 T691 L696 V697 A698 | A690-S694 VanDerWaalsContact O-CB 3.26Å; A690-S694 WeakPolarHBondContact O-CB 3.41Å; A690-S694 PolarHBondContact O-N 3.3Å; A690-S694 PolarHBondContact O-OG 2.86Å; T691-S694 WeakPolarHBondContact CA-OG 3.49Å; T691-S694 PolarHBondContact O-OG 3.49Å; S694-L696 VanDerWaalsContact C-N 3.27Å; S694-L696 PolarHBondContact O-N 2.71Å; S694-V697 PolarHBondContact O-N 2.97Å; S694-A698 WeakPolarHBondContact O-CB 3.42Å; S694-A698 PolarHBondContact O-N 2.84Å |
| 695 | S | 90.8 | Very high | 89.1 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.8 | -27.2 | 178.3 | 71.4 | 0 | 0 | 0 | 0 | 113.4 | T691 L692 A693 P699 S716 T720 | T691-S695 WeakPolarHBondContact O-CB 3.22Å; T691-S695 PolarHBondContact O-N 3.38Å; T691-S695 PolarHBondContact O-OG 2.97Å; L692-S695 PolarHBondContact O-OG 3.3Å; A693-S695 PolarHBondContact O-N 3.47Å; S695-P699 WeakPolarHBondContact O-CD 3.42Å; S695-P699 VanDerWaalsContact O-CG 3.31Å; S695-P699 WeakPolarHBondContact O-CG 3.26Å; S695-S716 VanDerWaalsContact CB-O 3.29Å; S695-S716 WeakPolarHBondContact CB-O 3.4Å; S695-S716 VanDerWaalsContact O-CB 3.31Å; S695-S716 WeakPolarHBondContact O-CB 3.28Å; S695-S716 PolarHBondContact O-OG 3.13Å; S695-T720 WeakPolarHBondContact CB-OG1 3.38Å; S695-T720 PolarHBondContact OG-OG1 3.48Å |
| 696 | L | 88 | Confident | 88.5 | Confident | 121 Ų | 121 | 56.1 Ų | 56.1 | 63% | 0.634 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -78.4 | -31.4 | 175.5 | -60.5 | 178.5 | 0 | 0 | 0 | 112.5 | A693 S694 | A693-L696 PolarHBondContact O-N 3.45Å; S694-L696 VanDerWaalsContact C-N 3.27Å; S694-L696 PolarHBondContact O-N 2.71Å |
| 697 | V | 88.6 | Confident | 87.7 | Confident | 77 Ų | 77 | 52.9 Ų | 52.9 | 47% | 0.467 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -92.6 | -40.2 | -174.6 | -179 | 0 | 0 | 0 | 0 | 112.3 | S694 P699 L700 L701 | S694-V697 PolarHBondContact O-N 2.97Å; V697-P699 VanDerWaalsContact C-CD 3.47Å; V697-P699 VanDerWaalsContact C-N 3.35Å; V697-L700 WeakPolarHBondContact O-CB 3.33Å; V697-L700 PolarHBondContact O-N 2.78Å; V697-L701 HydrophobicContact CG1-CD1 4.23Å; V697-L701 HydrophobicContact CG1-CG 4.48Å |
| 698 | A | 87.6 | Confident | 87 | Confident | 19 Ų | 19 | 52.1 Ų | 52.1 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.7 | -38.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | Q656 S694 L700 L701 S702 | Q656-A698 HydrophobicContact CG-CB 4.11Å; S694-A698 WeakPolarHBondContact O-CB 3.42Å; S694-A698 PolarHBondContact O-N 2.84Å; A698-L700 PolarHBondContact O-N 3.04Å; A698-L701 PolarHBondContact O-N 2.85Å; A698-L701 VanDerWaalsContact O-N 3.14Å; A698-S702 PolarHBondContact O-N 3.4Å |
| 699 | P | 87.4 | Confident | 86.6 | Confident | 16 Ų | 16 | 52 Ų | 52 | 10% | 0.104 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68 | -13.4 | 175.5 | -22 | 35.3 | 0 | 0 | 0 | 114.5 | S695 V697 S702 R709 I713 S716 | S695-P699 WeakPolarHBondContact O-CD 3.42Å; S695-P699 VanDerWaalsContact O-CG 3.31Å; S695-P699 WeakPolarHBondContact O-CG 3.26Å; V697-P699 VanDerWaalsContact C-CD 3.47Å; V697-P699 VanDerWaalsContact C-N 3.35Å; P699-S702 PolarHBondContact O-OG 3.26Å; P699-S702 VanDerWaalsContact O-OG 3.1Å; P699-R709 WeakPolarHBondContact O-CD 3.31Å; P699-R709 PolarHBondContact O-NH1 3.18Å; P699-I713 HydrophobicContact CB-CG1 3.76Å; P699-I713 HydrophobicContact CG-CG1 4.45Å; P699-S716 WeakPolarHBondContact CD-OG 3.43Å; P699-S716 WeakPolarHBondContact CG-OG 3.4Å |
| 700 | L | 86 | Confident | 86.3 | Confident | 134 Ų | 134 | 46 Ų | 46 | 70% | 0.702 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -82.7 | -28.6 | 173.5 | -58.9 | 174.8 | 0 | 0 | 0 | 111.4 | V697 A698 R709 | V697-L700 WeakPolarHBondContact O-CB 3.33Å; V697-L700 PolarHBondContact O-N 2.78Å; A698-L700 PolarHBondContact O-N 3.04Å; L700-R709 PolarHBondContact O-NH1 3.42Å |
| 701 | L | 85.8 | Confident | 85.9 | Confident | 119 Ų | 119 | 44.4 Ų | 44.4 | 62% | 0.623 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -85.8 | -10.8 | -179.1 | -58 | 177 | 0 | 0 | 0 | 113.5 | V652 V697 A698 | V652-L701 HydrophobicContact CG2-CB 4.29Å; V697-L701 HydrophobicContact CG1-CD1 4.23Å; V697-L701 HydrophobicContact CG1-CG 4.48Å; A698-L701 PolarHBondContact O-N 2.85Å; A698-L701 VanDerWaalsContact O-N 3.14Å |
| 702 | S | 84.1 | Confident | 85.7 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 10% | 0.098 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -78 | 179.7 | 178.1 | 59.5 | 0 | 0 | 0 | 0 | 113 | A698 P699 R709 S712 | A698-S702 PolarHBondContact O-N 3.4Å; P699-S702 PolarHBondContact O-OG 3.26Å; P699-S702 VanDerWaalsContact O-OG 3.1Å; S702-R709 PolarHBondContact O-NH1 2.9Å; S702-R709 PolarHBondContact O-NH2 2.84Å; S702-R709 PolarHBondContact OG-NH1 3.44Å; S702-S712 WeakPolarHBondContact CB-OG 3.29Å; S702-S712 VanDerWaalsContact OG-CB 3.23Å; S702-S712 WeakPolarHBondContact OG-CB 3.15Å; S702-S712 PolarHBondContact OG-OG 3.35Å |
| 703 | S | 82.4 | Confident | 85.6 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | trans | -64 | 146.6 | 179.5 | -163.9 | 0 | 0 | 0 | 0 | 112.4 | E649 A705 Q708 R709 | E649-S703 WeakPolarHBondContact OE1-CA 3.38Å; E649-S703 WeakPolarHBondContact OE1-CB 3.42Å; E649-S703 PolarHBondContact OE1-OG 3.44Å; S703-A705 PolarHBondContact O-N 2.96Å; S703-A705 PolarHBondContact OG-N 3.18Å; S703-Q708 PolarHBondContact OG-OE1 2.88Å; S703-R709 VanDerWaalsContact C-NH2 3.31Å; S703-R709 WeakPolarHBondContact O-CB 3.44Å; S703-R709 PolarHBondContact O-NE 3.2Å; S703-R709 VanDerWaalsContact O-NE 3.09Å; S703-R709 PolarHBondContact O-NH2 2.76Å | ||
| 704 | T | 80.4 | Confident | 85.5 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 20% | 0.202 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -78.2 | -7 | 174.7 | 64.5 | 0 | 0 | 0 | 0 | 112.6 | L706 R709 Q766 F767 T768 | T704-L706 PolarHBondContact O-N 2.94Å; T704-R709 VanDerWaalsContact CA-NH2 3.35Å; T704-Q766 CarbonylContact O-C 3.59Å; T704-Q766 WeakPolarHBondContact O-CA 3.47Å; T704-F767 WeakPolarHBondContact O-CD2 3.42Å; T704-F767 PolarHBondContact O-N 2.92Å; T704-T768 WeakPolarHBondContact CB-OG1 3.49Å; T704-T768 HydrophobicContact CG2-CG2 3.33Å; T704-T768 PolarHBondContact OG1-OG1 3.35Å |
| 705 | A | 78.9 | Confident | 85.5 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 7% | 0.074 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -63.7 | 130.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | S703 S707 Q708 R709 I765 | S703-A705 PolarHBondContact O-N 2.96Å; S703-A705 PolarHBondContact OG-N 3.18Å; A705-S707 PolarHBondContact O-N 3.42Å; A705-Q708 HydrophobicContact CB-CB 4.34Å; A705-Q708 HydrophobicContact CB-CG 4.47Å; A705-Q708 PolarHBondContact O-N 2.73Å; A705-R709 WeakPolarHBondContact O-CB 3.31Å; A705-R709 PolarHBondContact O-N 2.96Å; A705-I765 CarbonylContact C-O 3.59Å; A705-I765 WeakPolarHBondContact CA-O 3.41Å |
| 706 | L | 79.9 | Confident | 85.6 | Confident | 29 Ų | 29 | 40 Ų | 40 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -50.7 | -52.9 | -171 | 178.3 | 63.3 | 0 | 0 | 0 | 113 | T704 Q708 R709 L710 L762 I765 F767 | T704-L706 PolarHBondContact O-N 2.94Å; L706-Q708 VanDerWaalsContact C-N 3.32Å; L706-Q708 PolarHBondContact O-N 2.96Å; L706-R709 PolarHBondContact O-N 3.41Å; L706-L710 HydrophobicContact CD1-CD1 3.83Å; L706-L710 HydrophobicContact CD1-CG 4.1Å; L706-L710 HydrophobicContact CG-CD1 4.09Å; L706-L710 WeakPolarHBondContact O-CB 3.02Å; L706-L710 VanDerWaalsContact O-CG 3.26Å; L706-L710 WeakPolarHBondContact O-CG 3.31Å; L706-L710 PolarHBondContact O-N 3.13Å; L706-L762 HydrophobicContact CD2-CD2 3.85Å; L706-L762 HydrophobicContact CG-CD2 4.31Å; L706-I765 HydrophobicContact CB-CB 4.08Å; L706-I765 HydrophobicContact CB-CG2 4.22Å; L706-I765 HydrophobicContact CD2-CB 4.23Å; L706-I765 HydrophobicContact CD2-CD1 4.16Å; L706-I765 HydrophobicContact CD2-CG2 4.15Å; L706-I765 PolarHBondContact N-O 2.69Å; L706-F767 HydrophobicContact CB-CE2 4.46Å; L706-F767 HydrophobicContact CD1-CE2 3.52Å; L706-F767 HydrophobicContact CD1-CZ 3.52Å |
| 707 | S | 77.4 | Confident | 85.7 | Confident | 23 Ų | 23 | 38.8 Ų | 38.8 | 16% | 0.161 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.9 | -35.1 | -177.9 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | A705 A711 | A705-S707 PolarHBondContact O-N 3.42Å; S707-A711 WeakPolarHBondContact O-CB 3.42Å; S707-A711 PolarHBondContact O-N 3.21Å |
| 708 | Q | 80.1 | Confident | 85.9 | Confident | 25 Ų | 25 | 35.2 Ų | 35.2 | 12% | 0.117 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -78.1 | -40.8 | -179.9 | -69.4 | 174.9 | -12.6 | 0 | 0 | 111.2 | L638 S703 A705 L706 A711 S712 | L638-Q708 HydrophobicContact CD1-CG 4Å; L638-Q708 HydrophobicContact CD2-CG 4.26Å; S703-Q708 PolarHBondContact OG-OE1 2.88Å; A705-Q708 HydrophobicContact CB-CB 4.34Å; A705-Q708 HydrophobicContact CB-CG 4.47Å; A705-Q708 PolarHBondContact O-N 2.73Å; L706-Q708 VanDerWaalsContact C-N 3.32Å; L706-Q708 PolarHBondContact O-N 2.96Å; Q708-A711 PolarHBondContact O-N 2.95Å; Q708-S712 WeakPolarHBondContact O-CB 3.14Å; Q708-S712 PolarHBondContact O-N 3.26Å |
| 709 | R | 85.8 | Confident | 86.2 | Confident | 31 Ų | 31 | 34.3 Ų | 34.3 | 12% | 0.117 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 174.4 | -174.8 | 71.3 | 73.8 | -158 | -2.6 | 111.2 | P699 L700 S702 S703 T704 A705 L706 S712 I713 F767 | P699-R709 WeakPolarHBondContact O-CD 3.31Å; P699-R709 PolarHBondContact O-NH1 3.18Å; L700-R709 PolarHBondContact O-NH1 3.42Å; S702-R709 PolarHBondContact O-NH1 2.9Å; S702-R709 PolarHBondContact O-NH2 2.84Å; S702-R709 PolarHBondContact OG-NH1 3.44Å; S703-R709 VanDerWaalsContact C-NH2 3.31Å; S703-R709 WeakPolarHBondContact O-CB 3.44Å; S703-R709 PolarHBondContact O-NE 3.2Å; S703-R709 VanDerWaalsContact O-NE 3.09Å; S703-R709 PolarHBondContact O-NH2 2.76Å; T704-R709 VanDerWaalsContact CA-NH2 3.35Å; A705-R709 WeakPolarHBondContact O-CB 3.31Å; A705-R709 PolarHBondContact O-N 2.96Å; L706-R709 PolarHBondContact O-N 3.41Å; R709-S712 WeakPolarHBondContact O-CB 3.4Å; R709-S712 PolarHBondContact O-N 3.35Å; R709-I713 HydrophobicContact CG-CD1 3.97Å; R709-I713 VanDerWaalsContact O-CG1 3.28Å; R709-I713 WeakPolarHBondContact O-CG1 3.26Å; R709-I713 PolarHBondContact O-N 2.96Å; R709-F767 HydrophobicContact CB-CD2 3.81Å; R709-F767 HydrophobicContact CB-CE2 3.65Å; R709-F767 HydrophobicContact CG-CD2 3.73Å; R709-F767 HydrophobicContact CG-CE2 3.59Å; R709-F767 HydrophobicContact CG-CZ 4.44Å |
| 710 | L | 86.1 | Confident | 86.5 | Confident | 55 Ų | 55 | 34.4 Ų | 34.4 | 29% | 0.288 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.2 | -41.9 | 177.8 | -70.6 | 175.8 | 0 | 0 | 0 | 112.2 | L706 S712 I713 L714 I744 | L706-L710 HydrophobicContact CD1-CD1 3.83Å; L706-L710 HydrophobicContact CD1-CG 4.1Å; L706-L710 HydrophobicContact CG-CD1 4.09Å; L706-L710 WeakPolarHBondContact O-CB 3.02Å; L706-L710 VanDerWaalsContact O-CG 3.26Å; L706-L710 WeakPolarHBondContact O-CG 3.31Å; L706-L710 PolarHBondContact O-N 3.13Å; L710-S712 VanDerWaalsContact C-N 3.32Å; L710-S712 PolarHBondContact O-N 3.45Å; L710-I713 PolarHBondContact O-N 3.47Å; L710-L714 WeakPolarHBondContact O-CB 3.26Å; L710-L714 PolarHBondContact O-N 3.44Å; L710-I744 HydrophobicContact CD1-CD1 3.69Å |
| 711 | A | 85.7 | Confident | 86.8 | Confident | 23 Ų | 23 | 30.3 Ų | 30.3 | 19% | 0.19 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.3 | -39 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V634 S707 Q708 L714 L715 | V634-A711 HydrophobicContact CG1-CB 4.33Å; S707-A711 WeakPolarHBondContact O-CB 3.42Å; S707-A711 PolarHBondContact O-N 3.21Å; Q708-A711 PolarHBondContact O-N 2.95Å; A711-L714 PolarHBondContact O-N 3.01Å; A711-L715 WeakPolarHBondContact O-CB 3.31Å; A711-L715 PolarHBondContact O-N 3.41Å |
| 712 | S | 89.5 | Confident | 87.2 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.5 | -41.7 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | Q656 S702 Q708 R709 L710 L715 S716 | Q656-S712 VanDerWaalsContact CD-OG 3.28Å; Q656-S712 PolarHBondContact NE2-O 3.48Å; Q656-S712 PolarHBondContact NE2-OG 2.92Å; Q656-S712 PolarHBondContact OE1-OG 3.01Å; S702-S712 WeakPolarHBondContact CB-OG 3.29Å; S702-S712 VanDerWaalsContact OG-CB 3.23Å; S702-S712 WeakPolarHBondContact OG-CB 3.15Å; S702-S712 PolarHBondContact OG-OG 3.35Å; Q708-S712 WeakPolarHBondContact O-CB 3.14Å; Q708-S712 PolarHBondContact O-N 3.26Å; R709-S712 WeakPolarHBondContact O-CB 3.4Å; R709-S712 PolarHBondContact O-N 3.35Å; L710-S712 VanDerWaalsContact C-N 3.32Å; L710-S712 PolarHBondContact O-N 3.45Å; S712-L715 PolarHBondContact O-N 3.19Å; S712-S716 WeakPolarHBondContact O-CB 3.29Å; S712-S716 PolarHBondContact O-N 3.48Å |
| 713 | I | 90.2 | Very high | 87.6 | Confident | 61 Ų | 61 | 25.8 Ų | 25.8 | 31% | 0.313 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -60.7 | -48.4 | 173.3 | -69.6 | 166.2 | 0 | 0 | 0 | 110 | P699 R709 L710 L715 S716 L717 | P699-I713 HydrophobicContact CB-CG1 3.76Å; P699-I713 HydrophobicContact CG-CG1 4.45Å; R709-I713 HydrophobicContact CG-CD1 3.97Å; R709-I713 VanDerWaalsContact O-CG1 3.28Å; R709-I713 WeakPolarHBondContact O-CG1 3.26Å; R709-I713 PolarHBondContact O-N 2.96Å; L710-I713 PolarHBondContact O-N 3.47Å; I713-L715 PolarHBondContact O-N 3.25Å; I713-S716 PolarHBondContact O-N 2.93Å; I713-L717 HydrophobicContact CG2-CD1 3.69Å; I713-L717 HydrophobicContact CG2-CG 4.26Å; I713-L717 WeakPolarHBondContact O-CB 3.27Å; I713-L717 WeakPolarHBondContact O-CG 3.32Å; I713-L717 PolarHBondContact O-N 2.75Å |
| 714 | L | 90.3 | Very high | 87.9 | Confident | 30 Ų | 30 | 31.9 Ų | 31.9 | 16% | 0.157 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.2 | -50.9 | 177.9 | 175.2 | 60.7 | 0 | 0 | 0 | 111.4 | L630 L710 A711 S716 L717 M718 S737 | L630-L714 HydrophobicContact CD2-CD2 3.99Å; L710-L714 WeakPolarHBondContact O-CB 3.26Å; L710-L714 PolarHBondContact O-N 3.44Å; A711-L714 PolarHBondContact O-N 3.01Å; L714-S716 PolarHBondContact O-N 3.45Å; L714-L717 PolarHBondContact O-N 3.07Å; L714-M718 HydrophobicContact CD1-CG 3.68Å; L714-M718 HydrophobicContact CD1-SD 4.36Å; L714-M718 HydrophobicContact CG-CG 4.22Å; L714-M718 VanDerWaalsContact O-CB 3.28Å; L714-M718 WeakPolarHBondContact O-CB 3.42Å; L714-M718 VanDerWaalsContact O-CG 3.23Å; L714-M718 WeakPolarHBondContact O-CG 3.46Å; L714-M718 PolarHBondContact O-N 3.01Å; L714-S737 VanDerWaalsContact CD1-OG 3.27Å; L714-S737 WeakPolarHBondContact CD1-OG 3.23Å |
| 715 | L | 90.9 | Very high | 88.4 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.1 | -38.9 | -175.1 | -166.2 | 60.8 | 0 | 0 | 0 | 112.4 | V627 L653 Q656 M657 T660 A711 S712 I713 S719 | V627-L715 HydrophobicContact CG1-CD1 3.44Å; V627-L715 VanDerWaalsContact CG1-CD1 3.44Å; L653-L715 HydrophobicContact CD1-CD2 3.8Å; Q656-L715 HydrophobicContact CB-CB 4.29Å; Q656-L715 HydrophobicContact CB-CD2 3.42Å; Q656-L715 VanDerWaalsContact CB-CD2 3.42Å; Q656-L715 HydrophobicContact CB-CG 3.75Å; M657-L715 HydrophobicContact CB-CD2 4.47Å; M657-L715 HydrophobicContact CG-CD2 3.69Å; T660-L715 WeakPolarHBondContact OG1-CD1 3.37Å; A711-L715 WeakPolarHBondContact O-CB 3.31Å; A711-L715 PolarHBondContact O-N 3.41Å; S712-L715 PolarHBondContact O-N 3.19Å; I713-L715 PolarHBondContact O-N 3.25Å; L715-S719 PolarHBondContact O-N 3.28Å; L715-S719 VanDerWaalsContact O-N 3.16Å; L715-S719 PolarHBondContact O-OG 3.2Å |
| 716 | S | 91.7 | Very high | 88.7 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 3% | 0.028 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.4 | -50.8 | 172.5 | -89.2 | 0 | 0 | 0 | 0 | 112.5 | Q656 S695 P699 S712 I713 L714 M718 S719 T720 | Q656-S716 PolarHBondContact NE2-OG 3.13Å; S695-S716 VanDerWaalsContact CB-O 3.29Å; S695-S716 WeakPolarHBondContact CB-O 3.4Å; S695-S716 VanDerWaalsContact O-CB 3.31Å; S695-S716 WeakPolarHBondContact O-CB 3.28Å; S695-S716 PolarHBondContact O-OG 3.13Å; P699-S716 WeakPolarHBondContact CD-OG 3.43Å; P699-S716 WeakPolarHBondContact CG-OG 3.4Å; S712-S716 WeakPolarHBondContact O-CB 3.29Å; S712-S716 PolarHBondContact O-N 3.48Å; I713-S716 PolarHBondContact O-N 2.93Å; L714-S716 PolarHBondContact O-N 3.45Å; S716-M718 VanDerWaalsContact C-N 3.35Å; S716-M718 PolarHBondContact O-N 3.1Å; S716-S719 PolarHBondContact O-N 3.38Å; S716-T720 PolarHBondContact O-N 3.36Å |
| 717 | L | 90.9 | Very high | 89.1 | Confident | 95 Ų | 95 | 31 Ų | 31 | 50% | 0.497 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.5 | -38.7 | -179.1 | -69.6 | 177.7 | 0 | 0 | 0 | 111.8 | I713 L714 S719 T720 Y721 | I713-L717 HydrophobicContact CG2-CD1 3.69Å; I713-L717 HydrophobicContact CG2-CG 4.26Å; I713-L717 WeakPolarHBondContact O-CB 3.27Å; I713-L717 WeakPolarHBondContact O-CG 3.32Å; I713-L717 PolarHBondContact O-N 2.75Å; L714-L717 PolarHBondContact O-N 3.07Å; L717-S719 VanDerWaalsContact C-N 3.32Å; L717-S719 PolarHBondContact O-N 2.93Å; L717-T720 PolarHBondContact O-N 2.91Å; L717-Y721 VanDerWaalsContact O-CB 3.22Å; L717-Y721 WeakPolarHBondContact O-CB 3.4Å; L717-Y721 PolarHBondContact O-N 2.82Å |
| 718 | M | 93.4 | Very high | 89.7 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 176.5 | -76.9 | -55.2 | -58.4 | 0 | 0 | 112.2 | V627 L714 S716 T720 Y721 L722 A730 P733 L734 | V627-M718 HydrophobicContact CG1-CB 4.23Å; V627-M718 HydrophobicContact CG1-CG 4.41Å; V627-M718 HydrophobicContact CG2-CB 4.17Å; V627-M718 HydrophobicContact CG2-CE 3.67Å; V627-M718 HydrophobicContact CG2-CG 3.83Å; V627-M718 HydrophobicContact CG2-SD 4.39Å; L714-M718 HydrophobicContact CD1-CG 3.68Å; L714-M718 HydrophobicContact CD1-SD 4.36Å; L714-M718 HydrophobicContact CG-CG 4.22Å; L714-M718 VanDerWaalsContact O-CB 3.28Å; L714-M718 WeakPolarHBondContact O-CB 3.42Å; L714-M718 VanDerWaalsContact O-CG 3.23Å; L714-M718 WeakPolarHBondContact O-CG 3.46Å; L714-M718 PolarHBondContact O-N 3.01Å; S716-M718 VanDerWaalsContact C-N 3.35Å; S716-M718 PolarHBondContact O-N 3.1Å; M718-T720 PolarHBondContact O-N 3.02Å; M718-Y721 PolarHBondContact O-N 3.45Å; M718-L722 HydrophobicContact CE-CD2 4.46Å; M718-L722 HydrophobicContact CE-CG 4.41Å; M718-L722 WeakPolarHBondContact O-CB 3.4Å; M718-L722 WeakPolarHBondContact O-CG 3.49Å; M718-L722 PolarHBondContact O-N 3.45Å; M718-A730 WeakPolarHBondContact CE-O 3.43Å; M718-P733 HydrophobicContact SD-CB 3.82Å; M718-P733 HydrophobicContact SD-CG 4.36Å; M718-L734 HydrophobicContact CE-CB 4.42Å; M718-L734 HydrophobicContact SD-CB 4.5Å |
| 719 | S | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | T660 S663 L715 S716 L717 | T660-S719 WeakPolarHBondContact CA-OG 3.38Å; T660-S719 PolarHBondContact N-OG 2.92Å; T660-S719 PolarHBondContact OG1-OG 2.91Å; S663-S719 WeakPolarHBondContact CB-O 3.44Å; S663-S719 PolarHBondContact OG-O 3.48Å; S663-S719 VanDerWaalsContact OG-O 3.13Å; L715-S719 PolarHBondContact O-N 3.28Å; L715-S719 VanDerWaalsContact O-N 3.16Å; L715-S719 PolarHBondContact O-OG 3.2Å; S716-S719 PolarHBondContact O-N 3.38Å; L717-S719 VanDerWaalsContact C-N 3.32Å; L717-S719 PolarHBondContact O-N 2.93Å |
| 720 | T | 93.3 | Very high | 90.4 | Very high | 18 Ų | 18 | 29.3 Ų | 29.3 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.2 | -42.1 | 174 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | L692 S695 S716 L717 M718 L722 L723 L724 | L692-T720 HydrophobicContact CD1-CG2 3.5Å; S695-T720 WeakPolarHBondContact CB-OG1 3.38Å; S695-T720 PolarHBondContact OG-OG1 3.48Å; S716-T720 PolarHBondContact O-N 3.36Å; L717-T720 PolarHBondContact O-N 2.91Å; M718-T720 PolarHBondContact O-N 3.02Å; T720-L722 VanDerWaalsContact C-N 3.34Å; T720-L722 PolarHBondContact O-N 2.91Å; T720-L723 WeakPolarHBondContact O-CB 3.46Å; T720-L723 PolarHBondContact O-N 2.91Å; T720-L724 PolarHBondContact O-N 2.82Å |
| 721 | Y | 92.9 | Very high | 90.8 | Very high | 47 Ų | 47 | 28.6 Ų | 28.6 | 18% | 0.184 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.3 | -34.8 | -176.6 | -169.6 | -84.2 | 0 | 0 | 0 | 112.3 | L717 M718 L723 L724 S725 E729 P733 R796 | L717-Y721 VanDerWaalsContact O-CB 3.22Å; L717-Y721 WeakPolarHBondContact O-CB 3.4Å; L717-Y721 PolarHBondContact O-N 2.82Å; M718-Y721 PolarHBondContact O-N 3.45Å; Y721-L723 VanDerWaalsContact C-N 3.3Å; Y721-L723 PolarHBondContact O-N 2.96Å; Y721-L724 CarbonylContact O-C 3.44Å; Y721-L724 PolarHBondContact O-N 3.23Å; Y721-L724 VanDerWaalsContact O-N 3.08Å; Y721-S725 VanDerWaalsContact CD1-OG 3.28Å; Y721-S725 WeakPolarHBondContact CD1-OG 3.38Å; Y721-S725 VanDerWaalsContact CE1-OG 3.25Å; Y721-S725 WeakPolarHBondContact CE1-OG 3.42Å; Y721-S725 PolarHBondContact O-N 3.39Å; Y721-S725 VanDerWaalsContact O-N 3.16Å; Y721-S725 PolarHBondContact O-OG 2.85Å; Y721-E729 VanDerWaalsContact CE1-O 3.22Å; Y721-E729 WeakPolarHBondContact CE1-O 3.37Å; Y721-E729 PolarHBondContact OH-O 3.46Å; Y721-P733 HydrophobicContact CD1-CG 3.63Å; Y721-P733 HydrophobicContact CD2-CG 3.86Å; Y721-P733 HydrophobicContact CE1-CG 3.4Å; Y721-P733 HydrophobicContact CE2-CG 3.62Å; Y721-P733 HydrophobicContact CG-CG 3.84Å; Y721-R796 PolarHBondContact OH-NH1 3.36Å |
| 722 | L | 93.8 | Very high | 91 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.7 | -39.6 | 173.2 | -74.2 | 170.2 | 0 | 0 | 0 | 111.7 | V620 A623 T660 M664 V667 M718 T720 L724 S725 A730 | V620-L722 HydrophobicContact CG1-CD2 3.91Å; A623-L722 HydrophobicContact CB-CD2 4.19Å; T660-L722 HydrophobicContact CG2-CD1 3.84Å; M664-L722 HydrophobicContact CG-CD1 4.26Å; V667-L722 WeakPolarHBondContact CG2-O 3.44Å; M718-L722 HydrophobicContact CE-CD2 4.46Å; M718-L722 HydrophobicContact CE-CG 4.41Å; M718-L722 WeakPolarHBondContact O-CB 3.4Å; M718-L722 WeakPolarHBondContact O-CG 3.49Å; M718-L722 PolarHBondContact O-N 3.45Å; T720-L722 VanDerWaalsContact C-N 3.34Å; T720-L722 PolarHBondContact O-N 2.91Å; L722-L724 PolarHBondContact O-N 3.27Å; L722-S725 PolarHBondContact O-N 3.41Å; L722-S725 VanDerWaalsContact O-N 3.1Å; L722-A730 HydrophobicContact CD2-CB 4.19Å |
| 723 | L | 92.3 | Very high | 91.1 | Very high | 38 Ų | 38 | 29.7 Ų | 29.7 | 20% | 0.199 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -26.5 | 175 | -64.4 | 172.7 | 0 | 0 | 0 | 112.7 | V666 V667 T691 T720 Y721 | V666-L723 HydrophobicContact CB-CD2 4.01Å; V666-L723 HydrophobicContact CG1-CD2 3.74Å; V667-L723 HydrophobicContact CG2-CD2 4.19Å; T691-L723 HydrophobicContact CG2-CD1 3.76Å; T720-L723 WeakPolarHBondContact O-CB 3.46Å; T720-L723 PolarHBondContact O-N 2.91Å; Y721-L723 VanDerWaalsContact C-N 3.3Å; Y721-L723 PolarHBondContact O-N 2.96Å |
| 724 | L | 89.6 | Confident | 91.2 | Very high | 140 Ų | 140 | 27.4 Ų | 27.4 | 73% | 0.733 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 2.5 | 178.7 | -58.9 | 174.5 | 0 | 0 | 0 | 113.2 | T720 Y721 L722 | T720-L724 PolarHBondContact O-N 2.82Å; Y721-L724 CarbonylContact O-C 3.44Å; Y721-L724 PolarHBondContact O-N 3.23Å; Y721-L724 VanDerWaalsContact O-N 3.08Å; L722-L724 PolarHBondContact O-N 3.27Å |
| 725 | S | 89.7 | Confident | 91.3 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.028 | 14% | 0.139 | C | C | . | . | trans | -105.5 | 143.6 | -174.2 | -61.5 | 0 | 0 | 0 | 0 | 112.3 | Y721 L722 | Y721-S725 VanDerWaalsContact CD1-OG 3.28Å; Y721-S725 WeakPolarHBondContact CD1-OG 3.38Å; Y721-S725 VanDerWaalsContact CE1-OG 3.25Å; Y721-S725 WeakPolarHBondContact CE1-OG 3.42Å; Y721-S725 PolarHBondContact O-N 3.39Å; Y721-S725 VanDerWaalsContact O-N 3.16Å; Y721-S725 PolarHBondContact O-OG 2.85Å; L722-S725 PolarHBondContact O-N 3.41Å; L722-S725 VanDerWaalsContact O-N 3.1Å | ||
| 726 | T | 85.1 | Confident | 91.3 | Very high | 44 Ų | 44 | 27.5 Ų | 27.5 | 27% | 0.27 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -125.3 | -13.1 | 179.4 | 61.5 | 0 | 0 | 0 | 0 | 113.3 | W268 P615 N616 V620 E729 | W268-T726 HydrophobicContact CH2-CG2 4.26Å; W268-T726 HydrophobicContact CZ2-CG2 4Å; P615-T726 CarbonylContact C-O 3.5Å; P615-T726 WeakPolarHBondContact CA-O 3.47Å; N616-T726 CarbonylContact C-O 3.6Å; N616-T726 PolarHBondContact N-O 3.48Å; V620-T726 VanDerWaalsContact CG2-C 3.49Å; T726-E729 PolarHBondContact N-OE1 2.98Å; T726-E729 PolarHBondContact OG1-OE1 3.46Å |
| 727 | G | 89.1 | Confident | 91.2 | Very high | 4 Ų | 4 | 29 Ų | 29 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -156 | -137.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | V620 E729 A730 | V620-G727 WeakPolarHBondContact CG2-O 3.28Å; G727-E729 VanDerWaalsContact CA-OE2 3.3Å; G727-E729 WeakPolarHBondContact CA-OE2 3.35Å; G727-E729 PolarHBondContact N-OE1 3.23Å; G727-E729 PolarHBondContact N-OE2 2.81Å; G727-E729 PolarHBondContact O-N 3.04Å; G727-A730 PolarHBondContact O-N 2.87Å |
| 728 | Y | 89.1 | Confident | 91.1 | Very high | 37 Ų | 37 | 25.5 Ų | 25.5 | 15% | 0.145 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -66.2 | -23.2 | -172.2 | 70.2 | -98.3 | 0 | 0 | 0 | 113.2 | F605 M608 P609 V611 A730 L731 | F605-Y728 AromaticContact CD1-CD2 3.89Å; F605-Y728 HydrophobicContact CD1-CD2 3.89Å; F605-Y728 HydrophobicContact CD1-CE2 4.07Å; F605-Y728 HydrophobicContact CE1-CD2 4.08Å; M608-Y728 HydrophobicContact CB-CD1 4.47Å; M608-Y728 HydrophobicContact CB-CD2 4.15Å; M608-Y728 HydrophobicContact CB-CE1 3.88Å; M608-Y728 HydrophobicContact CB-CE2 3.54Å; M608-Y728 HydrophobicContact CE-CD1 3.8Å; M608-Y728 HydrophobicContact CE-CD2 4.2Å; M608-Y728 HydrophobicContact CE-CE1 4.29Å; M608-Y728 HydrophobicContact CE-CG 3.76Å; M608-Y728 HydrophobicContact CG-CD2 4.13Å; M608-Y728 HydrophobicContact CG-CE2 3.97Å; P609-Y728 VanDerWaalsContact O-CE1 3.29Å; P609-Y728 WeakPolarHBondContact O-CE1 3.3Å; P609-Y728 VanDerWaalsContact O-CZ 3.28Å; P609-Y728 PolarHBondContact O-OH 3.39Å; V611-Y728 HydrophobicContact CG2-CE1 4.11Å; V611-Y728 HydrophobicContact CG2-CE2 4.38Å; Y728-A730 PolarHBondContact O-N 2.91Å; Y728-A730 VanDerWaalsContact O-N 3.16Å; Y728-L731 WeakPolarHBondContact O-CB 3.28Å; Y728-L731 PolarHBondContact O-N 3.31Å |
| 729 | E | 90.3 | Very high | 91 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.037 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -63 | -20.2 | -178.8 | 70.2 | -72.2 | 172 | 0 | 0 | 113.4 | V611 Y721 T726 G727 L731 F732 P733 | V611-E729 VanDerWaalsContact CG1-CD 3.41Å; V611-E729 HydrophobicContact CG1-CG 4.1Å; V611-E729 WeakPolarHBondContact CG1-OE2 3.48Å; V611-E729 HydrophobicContact CG2-CB 3.78Å; V611-E729 HydrophobicContact CG2-CG 3.97Å; Y721-E729 VanDerWaalsContact CE1-O 3.22Å; Y721-E729 WeakPolarHBondContact CE1-O 3.37Å; Y721-E729 PolarHBondContact OH-O 3.46Å; T726-E729 PolarHBondContact N-OE1 2.98Å; T726-E729 PolarHBondContact OG1-OE1 3.46Å; G727-E729 VanDerWaalsContact CA-OE2 3.3Å; G727-E729 WeakPolarHBondContact CA-OE2 3.35Å; G727-E729 PolarHBondContact N-OE1 3.23Å; G727-E729 PolarHBondContact N-OE2 2.81Å; G727-E729 PolarHBondContact O-N 3.04Å; E729-L731 PolarHBondContact O-N 3.22Å; E729-F732 WeakPolarHBondContact O-CB 3.21Å; E729-F732 PolarHBondContact O-N 3.25Å; E729-F732 VanDerWaalsContact O-N 3.15Å; E729-P733 VanDerWaalsContact O-CD 3.32Å; E729-P733 WeakPolarHBondContact O-CD 3.21Å |
| 730 | A | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -56.8 | -30 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V620 A623 M718 L722 G727 Y728 | V620-A730 HydrophobicContact CB-CB 4.33Å; V620-A730 HydrophobicContact CG1-CB 4.3Å; V620-A730 HydrophobicContact CG2-CB 4.22Å; A623-A730 HydrophobicContact CB-CB 3.58Å; M718-A730 WeakPolarHBondContact CE-O 3.43Å; L722-A730 HydrophobicContact CD2-CB 4.19Å; G727-A730 PolarHBondContact O-N 2.87Å; Y728-A730 PolarHBondContact O-N 2.91Å; Y728-A730 VanDerWaalsContact O-N 3.16Å |
| 731 | L | 92.9 | Very high | 90.3 | Very high | 39 Ų | 39 | 32 Ų | 32 | 20% | 0.204 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -80.7 | -21.8 | -179.3 | -64.6 | 166.8 | 0 | 0 | 0 | 112.5 | F605 L619 A623 L626 Y728 E729 L734 V735 | F605-L731 HydrophobicContact CE1-CB 4.21Å; F605-L731 HydrophobicContact CZ-CB 3.86Å; L619-L731 HydrophobicContact CD2-CD1 4.42Å; A623-L731 HydrophobicContact CB-CD2 3.58Å; A623-L731 HydrophobicContact CB-CG 4.05Å; L626-L731 HydrophobicContact CD1-CD2 3.83Å; Y728-L731 WeakPolarHBondContact O-CB 3.28Å; Y728-L731 PolarHBondContact O-N 3.31Å; E729-L731 PolarHBondContact O-N 3.22Å; L731-L734 PolarHBondContact O-N 2.74Å; L731-V735 WeakPolarHBondContact O-CG2 3.44Å; L731-V735 PolarHBondContact O-N 2.85Å |
| 732 | F | 91.3 | Very high | 90.1 | Very high | 26 Ų | 26 | 30.2 Ų | 30.2 | 11% | 0.114 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.9 | -52.7 | -172.7 | 172.3 | -93.5 | 0 | 0 | 0 | 113.1 | L602 F605 E729 L734 V735 L736 R796 | L602-F732 HydrophobicContact CD1-CD2 3.71Å; L602-F732 HydrophobicContact CD1-CE2 3.47Å; L602-F732 VanDerWaalsContact CD1-CE2 3.47Å; L602-F732 HydrophobicContact CD1-CZ 4.35Å; L602-F732 HydrophobicContact CG-CE2 4.47Å; F605-F732 HydrophobicContact CB-CD2 4.05Å; F605-F732 HydrophobicContact CD1-CB 3.79Å; F605-F732 HydrophobicContact CD1-CD2 4.02Å; F605-F732 HydrophobicContact CD1-CG 4.39Å; F605-F732 AromaticContact CD2-CD2 3.98Å; F605-F732 HydrophobicContact CD2-CD2 3.98Å; F605-F732 HydrophobicContact CE1-CB 3.58Å; F605-F732 HydrophobicContact CE1-CD2 4.48Å; F605-F732 HydrophobicContact CE2-CD2 4.43Å; F605-F732 HydrophobicContact CG-CB 4.35Å; F605-F732 AromaticContact CG-CD2 3.75Å; F605-F732 HydrophobicContact CG-CD2 3.75Å; F605-F732 HydrophobicContact CZ-CB 3.96Å; E729-F732 WeakPolarHBondContact O-CB 3.21Å; E729-F732 PolarHBondContact O-N 3.25Å; E729-F732 VanDerWaalsContact O-N 3.15Å; F732-L734 PolarHBondContact O-N 2.87Å; F732-V735 PolarHBondContact O-N 3.15Å; F732-L736 HydrophobicContact CE1-CD2 3.95Å; F732-L736 HydrophobicContact CZ-CD2 4.14Å; F732-L736 WeakPolarHBondContact O-CB 3.33Å; F732-L736 PolarHBondContact O-N 3.22Å; F732-R796 HydrophobicContact CE1-CB 4.19Å; F732-R796 HydrophobicContact CZ-CB 4.23Å |
| 733 | P | 90.6 | Very high | 89.7 | Confident | 22 Ų | 22 | 31 Ų | 31 | 14% | 0.143 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.4 | -29.6 | -178.3 | -16.7 | 29.4 | 0 | 0 | 0 | 112.3 | M718 Y721 E729 S737 | M718-P733 HydrophobicContact SD-CB 3.82Å; M718-P733 HydrophobicContact SD-CG 4.36Å; Y721-P733 HydrophobicContact CD1-CG 3.63Å; Y721-P733 HydrophobicContact CD2-CG 3.86Å; Y721-P733 HydrophobicContact CE1-CG 3.4Å; Y721-P733 HydrophobicContact CE2-CG 3.62Å; Y721-P733 HydrophobicContact CG-CG 3.84Å; E729-P733 VanDerWaalsContact O-CD 3.32Å; E729-P733 WeakPolarHBondContact O-CD 3.21Å; P733-S737 WeakPolarHBondContact O-CB 3.41Å; P733-S737 PolarHBondContact O-N 3.28Å; P733-S737 PolarHBondContact O-OG 3.44Å |
| 734 | L | 91.6 | Very high | 89.3 | Confident | 14 Ų | 14 | 31.5 Ų | 31.5 | 7% | 0.073 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.7 | -51.7 | 174.5 | 175.8 | 63 | 0 | 0 | 0 | 111 | L626 V627 L630 M718 L731 F732 L736 S737 C738 | L626-L734 HydrophobicContact CB-CD2 3.64Å; L626-L734 HydrophobicContact CD1-CD2 4.27Å; V627-L734 HydrophobicContact CG2-CD1 4.03Å; V627-L734 HydrophobicContact CG2-CD2 4.27Å; L630-L734 HydrophobicContact CD2-CD1 3.88Å; M718-L734 HydrophobicContact CE-CB 4.42Å; M718-L734 HydrophobicContact SD-CB 4.5Å; L731-L734 PolarHBondContact O-N 2.74Å; F732-L734 PolarHBondContact O-N 2.87Å; L734-L736 VanDerWaalsContact C-N 3.35Å; L734-L736 PolarHBondContact O-N 3.04Å; L734-S737 PolarHBondContact O-N 3.39Å; L734-C738 PolarHBondContact O-N 2.93Å; L734-C738 PolarHBondContact O-SG 3.06Å; L734-C738 VanDerWaalsContact O-SG 3.37Å |
| 735 | V | 92.9 | Very high | 88.9 | Confident | 13 Ų | 13 | 27.9 Ų | 27.9 | 8% | 0.079 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 178.2 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | F598 L601 L602 F605 L731 F732 S737 C738 L739 | F598-V735 HydrophobicContact CD1-CG1 4.39Å; L601-V735 HydrophobicContact CB-CG1 4.15Å; L601-V735 HydrophobicContact CD2-CB 4.48Å; L601-V735 HydrophobicContact CD2-CG1 3.97Å; L601-V735 HydrophobicContact CD2-CG2 3.62Å; L601-V735 HydrophobicContact CG-CG1 3.91Å; L601-V735 HydrophobicContact CG-CG2 4Å; L602-V735 HydrophobicContact CB-CG1 4.11Å; L602-V735 HydrophobicContact CD1-CG1 4.12Å; F605-V735 HydrophobicContact CE2-CB 4.21Å; F605-V735 HydrophobicContact CE2-CG1 4.39Å; F605-V735 HydrophobicContact CE2-CG2 4.13Å; F605-V735 HydrophobicContact CZ-CG2 4.32Å; L731-V735 WeakPolarHBondContact O-CG2 3.44Å; L731-V735 PolarHBondContact O-N 2.85Å; F732-V735 PolarHBondContact O-N 3.15Å; V735-S737 VanDerWaalsContact C-N 3.34Å; V735-S737 PolarHBondContact O-N 3.1Å; V735-C738 PolarHBondContact O-N 2.99Å; V735-L739 WeakPolarHBondContact O-CB 3.41Å; V735-L739 PolarHBondContact O-N 3.41Å |
| 736 | L | 90.6 | Very high | 88.6 | Confident | 22 Ų | 22 | 28 Ų | 28 | 12% | 0.115 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.2 | -44.2 | 176.4 | 177.1 | 59.3 | 0 | 0 | 0 | 111.7 | L602 F732 L734 L739 M740 C793 | L602-L736 HydrophobicContact CD1-CB 4.37Å; L602-L736 HydrophobicContact CD2-CD1 4.16Å; F732-L736 HydrophobicContact CE1-CD2 3.95Å; F732-L736 HydrophobicContact CZ-CD2 4.14Å; F732-L736 WeakPolarHBondContact O-CB 3.33Å; F732-L736 PolarHBondContact O-N 3.22Å; L734-L736 VanDerWaalsContact C-N 3.35Å; L734-L736 PolarHBondContact O-N 3.04Å; L736-L739 WeakPolarHBondContact O-CB 3.42Å; L736-L739 PolarHBondContact O-N 2.83Å; L736-M740 HydrophobicContact CD1-CG 4.3Å; L736-M740 HydrophobicContact CD1-SD 4.43Å; L736-M740 HydrophobicContact CG-SD 4.25Å; L736-M740 VanDerWaalsContact O-CG 3.3Å; L736-M740 WeakPolarHBondContact O-CG 3.15Å; L736-M740 PolarHBondContact O-N 2.89Å; L736-C793 HydrophobicContact CD1-CB 3.94Å; L736-C793 WeakPolarHBondContact CD1-O 3.48Å |
| 737 | S | 89.2 | Confident | 88.3 | Confident | 35 Ų | 35 | 26.4 Ų | 26.4 | 25% | 0.245 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68 | -38.6 | -179.6 | -61 | 0 | 0 | 0 | 0 | 112.4 | L714 P733 L734 V735 M740 F741 | L714-S737 VanDerWaalsContact CD1-OG 3.27Å; L714-S737 WeakPolarHBondContact CD1-OG 3.23Å; P733-S737 WeakPolarHBondContact O-CB 3.41Å; P733-S737 PolarHBondContact O-N 3.28Å; P733-S737 PolarHBondContact O-OG 3.44Å; L734-S737 PolarHBondContact O-N 3.39Å; V735-S737 VanDerWaalsContact C-N 3.34Å; V735-S737 PolarHBondContact O-N 3.1Å; S737-M740 PolarHBondContact O-N 2.83Å; S737-F741 WeakPolarHBondContact O-CB 3.48Å; S737-F741 PolarHBondContact O-N 2.88Å |
| 738 | C | 90.2 | Very high | 87.7 | Confident | 22 Ų | 22 | 29.1 Ų | 29.1 | 15% | 0.149 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 171.1 | -72.3 | 0 | 0 | 0 | 0 | 111.3 | F598 L734 V735 M740 F741 V742 | F598-C738 HydrophobicContact CD1-CB 3.76Å; F598-C738 HydrophobicContact CD2-CB 4.28Å; F598-C738 HydrophobicContact CE1-CB 3.49Å; F598-C738 VanDerWaalsContact CE1-CB 3.49Å; F598-C738 HydrophobicContact CE2-CB 4.04Å; F598-C738 HydrophobicContact CG-CB 4.17Å; F598-C738 HydrophobicContact CZ-CB 3.64Å; L734-C738 PolarHBondContact O-N 2.93Å; L734-C738 PolarHBondContact O-SG 3.06Å; L734-C738 VanDerWaalsContact O-SG 3.37Å; V735-C738 PolarHBondContact O-N 2.99Å; C738-M740 PolarHBondContact O-N 2.87Å; C738-F741 PolarHBondContact O-N 3.3Å; C738-V742 WeakPolarHBondContact O-CG2 3.33Å; C738-V742 PolarHBondContact O-N 3.1Å |
| 739 | L | 90.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 176.1 | -176.6 | 61.1 | 0 | 0 | 0 | 111.7 | W595 F598 S599 L602 V735 L736 F741 V742 W743 F789 C793 | W595-L739 HydrophobicContact CD2-CD1 4.32Å; W595-L739 HydrophobicContact CE3-CD1 3.56Å; W595-L739 HydrophobicContact CH2-CD1 4.29Å; W595-L739 HydrophobicContact CZ3-CD1 3.52Å; W595-L739 HydrophobicContact CZ3-CG 4.19Å; F598-L739 HydrophobicContact CB-CB 4.04Å; F598-L739 HydrophobicContact CB-CD1 3.87Å; S599-L739 WeakPolarHBondContact OG-CD1 3.43Å; L602-L739 HydrophobicContact CB-CD2 4.5Å; L602-L739 HydrophobicContact CD2-CD2 3.57Å; V735-L739 WeakPolarHBondContact O-CB 3.41Å; V735-L739 PolarHBondContact O-N 3.41Å; L736-L739 WeakPolarHBondContact O-CB 3.42Å; L736-L739 PolarHBondContact O-N 2.83Å; L739-F741 VanDerWaalsContact C-N 3.34Å; L739-F741 PolarHBondContact O-N 2.83Å; L739-V742 PolarHBondContact O-N 3.47Å; L739-W743 WeakPolarHBondContact O-CB 3.19Å; L739-W743 PolarHBondContact O-N 3.09Å; L739-F789 HydrophobicContact CG-CE2 4.45Å; L739-C793 VanDerWaalsContact CD2-SG 3.52Å |
| 740 | M | 87.3 | Confident | 86.3 | Confident | 77 Ų | 77 | 31 Ų | 31 | 38% | 0.379 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.6 | -37.8 | 175.4 | -71.1 | -180 | 72.9 | 0 | 0 | 112.5 | L736 S737 C738 W743 I744 F789 | L736-M740 HydrophobicContact CD1-CG 4.3Å; L736-M740 HydrophobicContact CD1-SD 4.43Å; L736-M740 HydrophobicContact CG-SD 4.25Å; L736-M740 VanDerWaalsContact O-CG 3.3Å; L736-M740 WeakPolarHBondContact O-CG 3.15Å; L736-M740 PolarHBondContact O-N 2.89Å; S737-M740 PolarHBondContact O-N 2.83Å; C738-M740 PolarHBondContact O-N 2.87Å; M740-W743 WeakPolarHBondContact O-CB 3.26Å; M740-W743 PolarHBondContact O-N 2.77Å; M740-I744 WeakPolarHBondContact O-CG1 3.49Å; M740-I744 PolarHBondContact O-N 2.95Å; M740-F789 HydrophobicContact CB-CZ 4.47Å; M740-F789 HydrophobicContact CG-CE1 4.12Å; M740-F789 HydrophobicContact CG-CZ 3.95Å |
| 741 | F | 86.3 | Confident | 85.2 | Confident | 79 Ų | 79 | 34.6 Ų | 34.6 | 35% | 0.346 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.3 | -42.4 | 175.9 | -171.8 | -104.7 | 0 | 0 | 0 | 111.9 | S737 C738 L739 W743 I744 Q745 L762 | S737-F741 WeakPolarHBondContact O-CB 3.48Å; S737-F741 PolarHBondContact O-N 2.88Å; C738-F741 PolarHBondContact O-N 3.3Å; L739-F741 VanDerWaalsContact C-N 3.34Å; L739-F741 PolarHBondContact O-N 2.83Å; F741-W743 VanDerWaalsContact C-N 3.3Å; F741-W743 PolarHBondContact O-N 3.05Å; F741-I744 PolarHBondContact O-N 2.75Å; F741-Q745 PolarHBondContact O-N 2.95Å; F741-L762 HydrophobicContact CE2-CD2 4.44Å |
| 742 | V | 87.9 | Confident | 83.7 | Confident | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.055 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -39 | 174 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | W595 F598 C738 L739 I744 Q745 V746 | W595-V742 HydrophobicContact CB-CG1 3.97Å; W595-V742 HydrophobicContact CE3-CG1 4.37Å; F598-V742 HydrophobicContact CD2-CG2 3.95Å; F598-V742 HydrophobicContact CE2-CG2 4.18Å; C738-V742 WeakPolarHBondContact O-CG2 3.33Å; C738-V742 PolarHBondContact O-N 3.1Å; L739-V742 PolarHBondContact O-N 3.47Å; V742-I744 VanDerWaalsContact C-N 3.33Å; V742-I744 PolarHBondContact O-N 2.97Å; V742-Q745 WeakPolarHBondContact O-CA 3.39Å; V742-Q745 WeakPolarHBondContact O-CB 3.27Å; V742-Q745 PolarHBondContact O-N 3.36Å; V742-V746 HydrophobicContact CG1-CG2 4.15Å; V742-V746 WeakPolarHBondContact O-CG2 3.36Å; V742-V746 PolarHBondContact O-N 2.7Å |
| 743 | W | 85.4 | Confident | 81.7 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 7% | 0.072 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.8 | -45.3 | 174.9 | 175.6 | -108.4 | 0 | 0 | 0 | 112.6 | F575 W595 L739 M740 F741 Q745 V746 E747 R785 R786 F789 | F575-W743 HydrophobicContact CZ-CZ3 4.25Å; W595-W743 HydrophobicContact CE3-CE3 4.34Å; W595-W743 HydrophobicContact CH2-CD2 4.46Å; W595-W743 AromaticContact CH2-CE3 3.46Å; W595-W743 HydrophobicContact CH2-CE3 3.46Å; W595-W743 VanDerWaalsContact CH2-CE3 3.46Å; W595-W743 AromaticContact CH2-CZ3 3.85Å; W595-W743 HydrophobicContact CH2-CZ3 3.85Å; W595-W743 HydrophobicContact CZ2-CE3 4.33Å; W595-W743 HydrophobicContact CZ2-CZ3 4.36Å; W595-W743 HydrophobicContact CZ3-CB 4.07Å; W595-W743 HydrophobicContact CZ3-CD2 4.32Å; W595-W743 AromaticContact CZ3-CE3 3.5Å; W595-W743 HydrophobicContact CZ3-CE3 3.5Å; W595-W743 VanDerWaalsContact CZ3-CE3 3.5Å; W595-W743 HydrophobicContact CZ3-CZ3 4.3Å; L739-W743 WeakPolarHBondContact O-CB 3.19Å; L739-W743 PolarHBondContact O-N 3.09Å; M740-W743 WeakPolarHBondContact O-CB 3.26Å; M740-W743 PolarHBondContact O-N 2.77Å; F741-W743 VanDerWaalsContact C-N 3.3Å; F741-W743 PolarHBondContact O-N 3.05Å; W743-Q745 VanDerWaalsContact C-N 3.25Å; W743-Q745 PolarHBondContact O-N 2.6Å; W743-V746 PolarHBondContact O-N 3.14Å; W743-E747 HydrophobicContact CD2-CG 4.21Å; W743-E747 HydrophobicContact CH2-CG 4.41Å; W743-E747 WeakPolarHBondContact CH2-OE1 3.33Å; W743-E747 HydrophobicContact CZ2-CG 3.74Å; W743-E747 WeakPolarHBondContact CZ2-OE1 3.39Å; W743-E747 PolarHBondContact O-N 3.22Å; W743-R785 HydrophobicContact CH2-CG 4.04Å; W743-R785 HydrophobicContact CZ2-CG 4.38Å; W743-R786 HydrophobicContact CZ2-CG 4.15Å; W743-F789 HydrophobicContact CB-CD2 4.25Å; W743-F789 HydrophobicContact CB-CE1 3.99Å; W743-F789 HydrophobicContact CB-CE2 3.64Å; W743-F789 HydrophobicContact CB-CZ 3.5Å; W743-F789 VanDerWaalsContact CB-CZ 3.5Å; W743-F789 AromaticContact CD1-CD1 3.47Å; W743-F789 VanDerWaalsContact CD1-CD1 3.47Å; W743-F789 AromaticContact CD1-CE1 3.47Å; W743-F789 VanDerWaalsContact CD1-CE1 3.47Å; W743-F789 AromaticContact CD1-CG 3.88Å; W743-F789 AromaticContact CD1-CZ 3.91Å; W743-F789 HydrophobicContact CD2-CB 4.15Å; W743-F789 AromaticContact CD2-CD1 3.97Å; W743-F789 HydrophobicContact CD2-CD1 3.97Å; W743-F789 AromaticContact CD2-CD2 3.41Å; W743-F789 HydrophobicContact CD2-CD2 3.41Å; W743-F789 VanDerWaalsContact CD2-CD2 3.41Å; W743-F789 HydrophobicContact CD2-CE1 4.26Å; W743-F789 AromaticContact CD2-CE2 3.77Å; W743-F789 HydrophobicContact CD2-CE2 3.77Å; W743-F789 AromaticContact CD2-CG 3.54Å; W743-F789 HydrophobicContact CD2-CG 3.54Å; W743-F789 HydrophobicContact CD2-CZ 4.19Å; W743-F789 AromaticContact CE2-CD1 3.81Å; W743-F789 AromaticContact CE2-CD2 3.85Å; W743-F789 AromaticContact CE2-CG 3.46Å; W743-F789 VanDerWaalsContact CE2-CG 3.46Å; W743-F789 AromaticContact CE3-CD2 3.58Å; W743-F789 HydrophobicContact CE3-CD2 3.58Å; W743-F789 HydrophobicContact CE3-CE2 4.02Å; W743-F789 HydrophobicContact CE3-CG 4.08Å; W743-F789 AromaticContact CG-CD1 3.76Å; W743-F789 HydrophobicContact CG-CD1 3.76Å; W743-F789 AromaticContact CG-CD2 3.72Å; W743-F789 HydrophobicContact CG-CD2 3.72Å; W743-F789 AromaticContact CG-CE1 3.63Å; W743-F789 HydrophobicContact CG-CE1 3.63Å; W743-F789 AromaticContact CG-CE2 3.6Å; W743-F789 HydrophobicContact CG-CE2 3.6Å; W743-F789 AromaticContact CG-CG 3.82Å; W743-F789 HydrophobicContact CG-CG 3.82Å; W743-F789 AromaticContact CG-CZ 3.56Å; W743-F789 HydrophobicContact CG-CZ 3.56Å; W743-F789 HydrophobicContact CH2-CB 3.96Å; W743-F789 HydrophobicContact CH2-CD2 4.46Å; W743-F789 HydrophobicContact CH2-CG 4.39Å; W743-F789 HydrophobicContact CZ2-CB 3.58Å; W743-F789 HydrophobicContact CZ2-CD2 4.37Å; W743-F789 AromaticContact CZ2-CG 3.93Å; W743-F789 HydrophobicContact CZ2-CG 3.93Å; W743-F789 HydrophobicContact CZ3-CB 4.41Å; W743-F789 HydrophobicContact CZ3-CD2 4.09Å; W743-F789 HydrophobicContact CZ3-CG 4.45Å; W743-F789 AromaticContact NE1-CD1 3.48Å; W743-F789 AromaticContact NE1-CG 3.66Å |
| 744 | I | 83.4 | Confident | 79.3 | Confident | 48 Ų | 48 | 47.8 Ų | 47.8 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.9 | -39.6 | 177.2 | -60.9 | 166 | 0 | 0 | 0 | 110.5 | L710 M740 F741 V742 E747 Q748 L762 | L710-I744 HydrophobicContact CD1-CD1 3.69Å; M740-I744 WeakPolarHBondContact O-CG1 3.49Å; M740-I744 PolarHBondContact O-N 2.95Å; F741-I744 PolarHBondContact O-N 2.75Å; V742-I744 VanDerWaalsContact C-N 3.33Å; V742-I744 PolarHBondContact O-N 2.97Å; I744-E747 PolarHBondContact O-N 2.93Å; I744-Q748 WeakPolarHBondContact O-CG 3.46Å; I744-Q748 PolarHBondContact O-N 2.99Å; I744-L762 HydrophobicContact CG2-CD1 4.01Å; I744-L762 HydrophobicContact CG2-CD2 4.17Å; I744-L762 HydrophobicContact CG2-CG 4.34Å |
| 745 | Q | 82.4 | Confident | 77 | Confident | 63 Ų | 63 | 50.9 Ų | 50.9 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -67.9 | -43.1 | 176.5 | -62.5 | -180 | 2.5 | 0 | 0 | 112.2 | T591 F741 V742 W743 E747 Q748 E749 L762 | T591-Q745 HydrophobicContact CG2-CB 3.92Å; F741-Q745 PolarHBondContact O-N 2.95Å; V742-Q745 WeakPolarHBondContact O-CA 3.39Å; V742-Q745 WeakPolarHBondContact O-CB 3.27Å; V742-Q745 PolarHBondContact O-N 3.36Å; W743-Q745 VanDerWaalsContact C-N 3.25Å; W743-Q745 PolarHBondContact O-N 2.6Å; Q745-E747 VanDerWaalsContact C-N 3.31Å; Q745-E747 PolarHBondContact O-N 3.35Å; Q745-Q748 PolarHBondContact O-N 3.23Å; Q745-E749 WeakPolarHBondContact O-CG 3.43Å; Q745-E749 PolarHBondContact O-N 2.98Å; Q745-L762 HydrophobicContact CG-CD1 4.07Å |
| 746 | V | 81.6 | Confident | 74.7 | Confident | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.8 | -44.7 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | L584 T591 W595 V742 W743 Q748 E749 T750 | L584-V746 HydrophobicContact CD1-CG1 3.7Å; T591-V746 HydrophobicContact CG2-CG2 3.63Å; W595-V746 HydrophobicContact CB-CG2 4.3Å; W595-V746 HydrophobicContact CE3-CG2 4.48Å; V742-V746 HydrophobicContact CG1-CG2 4.15Å; V742-V746 WeakPolarHBondContact O-CG2 3.36Å; V742-V746 PolarHBondContact O-N 2.7Å; W743-V746 PolarHBondContact O-N 3.14Å; V746-Q748 VanDerWaalsContact C-N 3.34Å; V746-Q748 PolarHBondContact O-N 3.49Å; V746-E749 PolarHBondContact O-N 3.4Å; V746-T750 HydrophobicContact CG1-CG2 4.49Å; V746-T750 WeakPolarHBondContact O-CG2 3.41Å; V746-T750 PolarHBondContact O-N 3.41Å; V746-T750 PolarHBondContact O-OG1 2.91Å; V746-T750 VanDerWaalsContact O-OG1 3.04Å |
| 747 | E | 79.1 | Confident | 72.2 | Confident | 12 Ų | 12 | 61.2 Ų | 61.2 | 6% | 0.056 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64 | -37.1 | 176.7 | -79.9 | -62.2 | 138.8 | 0 | 0 | 112.6 | W743 I744 Q745 T750 L751 R785 R786 | W743-E747 HydrophobicContact CD2-CG 4.21Å; W743-E747 HydrophobicContact CH2-CG 4.41Å; W743-E747 WeakPolarHBondContact CH2-OE1 3.33Å; W743-E747 HydrophobicContact CZ2-CG 3.74Å; W743-E747 WeakPolarHBondContact CZ2-OE1 3.39Å; W743-E747 PolarHBondContact O-N 3.22Å; I744-E747 PolarHBondContact O-N 2.93Å; Q745-E747 VanDerWaalsContact C-N 3.31Å; Q745-E747 PolarHBondContact O-N 3.35Å; E747-T750 VanDerWaalsContact CA-OG1 3.28Å; E747-T750 WeakPolarHBondContact CA-OG1 3.32Å; E747-T750 PolarHBondContact O-OG1 3.04Å; E747-L751 WeakPolarHBondContact O-CG 3.44Å; E747-L751 PolarHBondContact O-N 3.4Å; E747-L751 VanDerWaalsContact O-N 3.13Å; E747-R785 IonicContact OE1-CZ 3.56Å; E747-R785 IonicContact OE1-NE 2.64Å; E747-R785 PolarHBondContact OE1-NE 3Å; E747-R785 IonicContact OE1-NH2 2.79Å; E747-R785 IonicContact OE2-CZ 2.77Å; E747-R785 IonicContact OE2-NE 2.77Å; E747-R785 IonicContact OE2-NH2 3.49Å; E747-R785 PolarHBondContact OE2-NH2 3.14Å; E747-R785 VanDerWaalsContact OE2-NH2 3.15Å; E747-R786 IonicContact OE2-CZ 3.24Å; E747-R786 VanDerWaalsContact OE2-CZ 3.24Å; E747-R786 IonicContact OE2-NE 2.8Å; E747-R786 PolarHBondContact OE2-NE 2.84Å; E747-R786 IonicContact OE2-NH2 2.82Å; E747-R786 PolarHBondContact OE2-NH2 2.77Å |
| 748 | Q | 77.3 | Confident | 69.9 | Low | 60 Ų | 60 | 64.1 Ų | 64.1 | 28% | 0.28 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 174.2 | -74.6 | -169.8 | -12.6 | 0 | 0 | 113 | I744 Q745 V746 L762 | I744-Q748 WeakPolarHBondContact O-CG 3.46Å; I744-Q748 PolarHBondContact O-N 2.99Å; Q745-Q748 PolarHBondContact O-N 3.23Å; V746-Q748 VanDerWaalsContact C-N 3.34Å; V746-Q748 PolarHBondContact O-N 3.49Å; Q748-L762 VanDerWaalsContact OE1-CD1 3.25Å |
| 749 | E | 77.6 | Confident | 67.9 | Low | 44 Ų | 44 | 70.8 Ų | 70.8 | 21% | 0.206 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72.5 | -31.8 | 178.9 | -65.5 | -64.2 | 158.9 | 0 | 0 | 112 | L584 A588 Q745 V746 Q752 K759 | L584-E749 HydrophobicContact CD2-CB 3.97Å; A588-E749 HydrophobicContact CB-CB 4.39Å; A588-E749 HydrophobicContact CB-CG 4.18Å; Q745-E749 WeakPolarHBondContact O-CG 3.43Å; Q745-E749 PolarHBondContact O-N 2.98Å; V746-E749 PolarHBondContact O-N 3.4Å; E749-Q752 PolarHBondContact OE2-NE2 2.96Å; E749-K759 IonicContact OE1-NZ 3.92Å |
| 750 | T | 72.9 | Confident | 66.2 | Low | 40 Ų | 40 | 76.4 Ų | 76.4 | 25% | 0.245 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -72.9 | -30 | 174.4 | 47.9 | 0 | 0 | 0 | 0 | 113.8 | L584 V746 E747 Q752 R785 | L584-T750 HydrophobicContact CD1-CG2 3.53Å; L584-T750 HydrophobicContact CD2-CG2 3.68Å; L584-T750 HydrophobicContact CG-CG2 3.76Å; V746-T750 HydrophobicContact CG1-CG2 4.49Å; V746-T750 WeakPolarHBondContact O-CG2 3.41Å; V746-T750 PolarHBondContact O-N 3.41Å; V746-T750 PolarHBondContact O-OG1 2.91Å; V746-T750 VanDerWaalsContact O-OG1 3.04Å; E747-T750 VanDerWaalsContact CA-OG1 3.28Å; E747-T750 WeakPolarHBondContact CA-OG1 3.32Å; E747-T750 PolarHBondContact O-OG1 3.04Å; T750-Q752 PolarHBondContact O-N 2.78Å; T750-R785 PolarHBondContact OG1-NH2 3.39Å; T750-R785 VanDerWaalsContact OG1-NH2 3.07Å |
| 751 | L | 68.8 | Low | 64.8 | Low | 76 Ų | 76 | 80 Ų | 80 | 40% | 0.398 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -7.6 | 177.2 | -74.2 | 173.7 | 0 | 0 | 0 | 114.2 | E747 Q753 R777 | E747-L751 WeakPolarHBondContact O-CG 3.44Å; E747-L751 PolarHBondContact O-N 3.4Å; E747-L751 VanDerWaalsContact O-N 3.13Å; L751-Q753 VanDerWaalsContact C-N 3.35Å; L751-Q753 PolarHBondContact O-N 2.82Å; L751-R777 VanDerWaalsContact CD2-NH2 3.29Å |
| 752 | Q | 60.2 | Low | 63.6 | Low | 83 Ų | 83 | 77.2 Ų | 77.2 | 39% | 0.388 | 43% | 0.427 | S | S | . | . | trans | -71 | 87.3 | 177.3 | -66.5 | 179.9 | 19.4 | 0 | 0 | 111 | E749 T750 | E749-Q752 PolarHBondContact OE2-NE2 2.96Å; T750-Q752 PolarHBondContact O-N 2.78Å | ||
| 753 | Q | 50.4 | Low | 62.1 | Low | 155 Ų | 155 | 78.7 Ų | 78.7 | 72% | 0.724 | 44% | 0.435 | S | S | * | . | trans | -74.3 | 148 | 163.7 | -71.1 | -154.7 | -6.4 | 0 | 0 | 111 | L751 G755 | L751-Q753 VanDerWaalsContact C-N 3.35Å; L751-Q753 PolarHBondContact O-N 2.82Å; Q753-G755 PolarHBondContact O-N 2.93Å | ||
| 754 | P | 40 | Very low | 60.9 | Low | 127 Ų | 127 | 80.8 Ų | 80.8 | 83% | 0.825 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 110.1 | 174.8 | -4.3 | 19.6 | 0 | 0 | 0 | 109 | ||
| 755 | G | 44.4 | Very low | 60.2 | Low | 78 Ų | 78 | 81.1 Ų | 81.1 | 80% | 0.804 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 129.1 | -12 | 172.4 | 0 | 0 | 0 | 0 | 0 | 117 | Q753 | Q753-G755 PolarHBondContact O-N 2.93Š|
| 756 | V | 43.8 | Very low | 59.5 | Low | 122 Ų | 122 | 83.5 Ų | 83.5 | 74% | 0.739 | 47% | 0.466 | S | S | * | . | trans | -106.8 | 97.9 | 176.4 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | C758 | V756-C758 VanDerWaalsContact C-N 3.27Å; V756-C758 PolarHBondContact O-N 3.49Å; V756-C758 VanDerWaalsContact O-N 3.1Å | ||
| 757 | S | 37.1 | Very low | 58.6 | Low | 130 Ų | 130 | 88.9 Ų | 88.9 | 91% | 0.909 | 49% | 0.489 | S | S | * | . | trans | -83.3 | 48.1 | -177.2 | 179.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 758 | C | 42.3 | Very low | 57.5 | Low | 97 Ų | 97 | 92.5 Ų | 92.5 | 66% | 0.655 | 51% | 0.512 | S | S | * | . | trans | -121.2 | 85.7 | 170.7 | -160.1 | 0 | 0 | 0 | 0 | 110.8 | V756 Q760 | V756-C758 VanDerWaalsContact C-N 3.27Å; V756-C758 PolarHBondContact O-N 3.49Å; V756-C758 VanDerWaalsContact O-N 3.1Å; C758-Q760 PolarHBondContact O-N 2.98Å | ||
| 759 | K | 48.1 | Very low | 56.2 | Low | 162 Ų | 162 | 93.4 Ų | 93.4 | 70% | 0.704 | 52% | 0.524 | S | S | * | . | trans | -73.2 | 76.7 | 164.7 | -160.1 | 172.1 | -167.7 | 165.5 | 0 | 107.8 | E749 K761 | E749-K759 IonicContact OE1-NZ 3.92Å; K759-K761 PolarHBondContact O-N 3.21Å | ||
| 760 | Q | 53.3 | Low | 54.7 | Low | 117 Ų | 117 | 99 Ų | 99 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | trans | -63.5 | 112.2 | 171.5 | -161 | 173.2 | 12.7 | 0 | 0 | 106.8 | C758 L762 S764 | C758-Q760 PolarHBondContact O-N 2.98Å; Q760-L762 PolarHBondContact O-N 3.06Å; Q760-S764 WeakPolarHBondContact CG-OG 3.4Å | ||
| 761 | K | 59.1 | Low | 53.2 | Low | 153 Ų | 153 | 101.3 Ų | 101.3 | 67% | 0.665 | 57% | 0.57 | S | S | * | * | trans | -61.1 | 137.3 | -177.6 | -72.6 | 178.7 | 178.6 | 172.3 | 0 | 108 | K759 T763 S764 | K759-K761 PolarHBondContact O-N 3.21Å; K761-T763 PolarHBondContact O-N 3.5Å; K761-S764 PolarHBondContact N-OG 2.92Å; K761-S764 PolarHBondContact O-N 2.92Å; K761-S764 PolarHBondContact O-OG 3.49Å | ||
| 762 | L | 59.9 | Low | 51.9 | Low | 21 Ų | 21 | 103.4 Ų | 103.4 | 11% | 0.11 | 58% | 0.582 | C | S | . | * | G | 310 helix | trans | -48.9 | -29.4 | 175 | -129.1 | 143.3 | 0 | 0 | 0 | 112.9 | L706 F741 I744 Q745 Q748 Q760 S764 | L706-L762 HydrophobicContact CD2-CD2 3.85Å; L706-L762 HydrophobicContact CG-CD2 4.31Å; F741-L762 HydrophobicContact CE2-CD2 4.44Å; I744-L762 HydrophobicContact CG2-CD1 4.01Å; I744-L762 HydrophobicContact CG2-CD2 4.17Å; I744-L762 HydrophobicContact CG2-CG 4.34Å; Q745-L762 HydrophobicContact CG-CD1 4.07Å; Q748-L762 VanDerWaalsContact OE1-CD1 3.25Å; Q760-L762 PolarHBondContact O-N 3.06Å; L762-S764 VanDerWaalsContact C-N 3.33Å; L762-S764 PolarHBondContact O-N 3.34Å |
| 763 | T | 58.3 | Low | 51.2 | Low | 39 Ų | 39 | 106.4 Ų | 106.4 | 24% | 0.239 | 60% | 0.599 | C | S | . | * | G | 310 helix | trans | -74.3 | -13.3 | 177.6 | 55.2 | 0 | 0 | 0 | 0 | 115 | K761 | K761-T763 PolarHBondContact O-N 3.5Š|
| 764 | S | 59.7 | Low | 50.9 | Low | 64 Ų | 64 | 103.6 Ų | 103.6 | 45% | 0.448 | 60% | 0.602 | S | S | . | * | G | 310 helix | trans | -100 | -0.6 | 179 | 59.2 | 0 | 0 | 0 | 0 | 113.8 | Q760 K761 L762 | Q760-S764 WeakPolarHBondContact CG-OG 3.4Å; K761-S764 PolarHBondContact N-OG 2.92Å; K761-S764 PolarHBondContact O-N 2.92Å; K761-S764 PolarHBondContact O-OG 3.49Å; L762-S764 VanDerWaalsContact C-N 3.33Å; L762-S764 PolarHBondContact O-N 3.34Å |
| 765 | I | 67.8 | Low | 51.3 | Low | 54 Ų | 54 | 104.9 Ų | 104.9 | 28% | 0.277 | 60% | 0.597 | S | S | . | * | trans | -85.4 | 128.6 | 176.8 | -58 | 173.9 | 0 | 0 | 0 | 108.5 | A705 L706 | A705-I765 CarbonylContact C-O 3.59Å; A705-I765 WeakPolarHBondContact CA-O 3.41Å; L706-I765 HydrophobicContact CB-CB 4.08Å; L706-I765 HydrophobicContact CB-CG2 4.22Å; L706-I765 HydrophobicContact CD2-CB 4.23Å; L706-I765 HydrophobicContact CD2-CD1 4.16Å; L706-I765 HydrophobicContact CD2-CG2 4.15Å; L706-I765 PolarHBondContact N-O 2.69Å | ||
| 766 | Q | 67.6 | Low | 51.8 | Low | 114 Ų | 114 | 106 Ų | 106 | 53% | 0.533 | 58% | 0.58 | S | S | . | * | B | Isolated β-bridge | trans | -119.3 | 142.5 | -179.9 | -68.9 | -177 | -16.1 | 0 | 0 | 111.7 | T704 T768 | T704-Q766 CarbonylContact O-C 3.59Å; T704-Q766 WeakPolarHBondContact O-CA 3.47Å; Q766-T768 VanDerWaalsContact C-N 3.3Å; Q766-T768 PolarHBondContact O-N 2.96Å |
| 767 | F | 64 | Low | 52.8 | Low | 118 Ų | 118 | 105.4 Ų | 105.4 | 52% | 0.518 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.2 | -18.3 | 176.3 | -83 | -79.1 | 0 | 0 | 0 | 114.2 | T704 L706 R709 | T704-F767 WeakPolarHBondContact O-CD2 3.42Å; T704-F767 PolarHBondContact O-N 2.92Å; L706-F767 HydrophobicContact CB-CE2 4.46Å; L706-F767 HydrophobicContact CD1-CE2 3.52Å; L706-F767 HydrophobicContact CD1-CZ 3.52Å; R709-F767 HydrophobicContact CB-CD2 3.81Å; R709-F767 HydrophobicContact CB-CE2 3.65Å; R709-F767 HydrophobicContact CG-CD2 3.73Å; R709-F767 HydrophobicContact CG-CE2 3.59Å; R709-F767 HydrophobicContact CG-CZ 4.44Å |
| 768 | T | 55.7 | Low | 54.2 | Low | 88 Ų | 88 | 104.2 Ų | 104.2 | 54% | 0.54 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 3.4 | -175.5 | 41 | 0 | 0 | 0 | 0 | 114.6 | T704 Q766 D770 | T704-T768 WeakPolarHBondContact CB-OG1 3.49Å; T704-T768 HydrophobicContact CG2-CG2 3.33Å; T704-T768 PolarHBondContact OG1-OG1 3.35Å; Q766-T768 VanDerWaalsContact C-N 3.3Å; Q766-T768 PolarHBondContact O-N 2.96Å; T768-D770 PolarHBondContact O-N 3.3Å |
| 769 | C | 49.4 | Very low | 55.4 | Low | 80 Ų | 80 | 103.9 Ų | 103.9 | 54% | 0.541 | 54% | 0.536 | S | S | . | . | trans | -66.4 | 109.9 | 177.2 | -151.1 | 0 | 0 | 0 | 0 | 107.6 | T771 | C769-T771 PolarHBondContact O-N 3.26Å; C769-T771 PolarHBondContact O-OG1 3.48Å | ||
| 770 | D | 45.5 | Very low | 56.3 | Low | 161 Ų | 161 | 98.4 Ų | 98.4 | 86% | 0.861 | 52% | 0.517 | S | S | * | . | trans | -51.8 | 96.3 | 160.5 | -89 | -31.6 | 0 | 0 | 0 | 105.4 | T768 D772 | T768-D770 PolarHBondContact O-N 3.3Å; D770-D772 VanDerWaalsContact C-N 3.32Å; D770-D772 PolarHBondContact O-N 3.44Å | ||
| 771 | T | 43 | Very low | 56.9 | Low | 88 Ų | 88 | 96.2 Ų | 96.2 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | trans | -80.3 | 96.6 | -170.2 | -11.8 | 0 | 0 | 0 | 0 | 104 | C769 I773 | C769-T771 PolarHBondContact O-N 3.26Å; C769-T771 PolarHBondContact O-OG1 3.48Å; T771-I773 PolarHBondContact O-N 3.41Å; T771-I773 VanDerWaalsContact O-N 3.13Å | ||
| 772 | D | 39.9 | Very low | 57.3 | Low | 121 Ų | 121 | 93.3 Ų | 93.3 | 65% | 0.647 | 51% | 0.505 | S | S | * | . | trans | -45.8 | 123.2 | 174.4 | -133.7 | -17.4 | 0 | 0 | 0 | 107.7 | D770 A774 Q775 | D770-D772 VanDerWaalsContact C-N 3.32Å; D770-D772 PolarHBondContact O-N 3.44Å; D772-A774 PolarHBondContact O-N 2.76Å; D772-Q775 PolarHBondContact O-N 3.24Å | ||
| 773 | I | 46.1 | Very low | 57.9 | Low | 145 Ų | 145 | 93.1 Ų | 93.1 | 74% | 0.744 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -56.4 | -18.5 | -169.5 | -64.6 | 168.2 | 0 | 0 | 0 | 111.5 | T771 Q775 | T771-I773 PolarHBondContact O-N 3.41Å; T771-I773 VanDerWaalsContact O-N 3.13Å; I773-Q775 VanDerWaalsContact C-N 3.32Å; I773-Q775 PolarHBondContact O-N 3.44Å |
| 774 | A | 43.4 | Very low | 58.3 | Low | 97 Ų | 97 | 93.7 Ų | 93.7 | 80% | 0.802 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -72.3 | -9.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | D772 | D772-A774 PolarHBondContact O-N 2.76Š|
| 775 | Q | 48.2 | Very low | 59 | Low | 154 Ų | 154 | 92.4 Ų | 92.4 | 72% | 0.72 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -107.9 | 17.9 | -175.3 | -69.5 | -169.2 | -0.3 | 0 | 0 | 115.4 | D772 I773 R777 | D772-Q775 PolarHBondContact O-N 3.24Å; I773-Q775 VanDerWaalsContact C-N 3.32Å; I773-Q775 PolarHBondContact O-N 3.44Å; Q775-R777 PolarHBondContact O-N 3.34Å |
| 776 | F | 56.7 | Low | 59.3 | Low | 100 Ų | 100 | 93.2 Ų | 93.2 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 121.7 | 175.4 | -81.3 | -76.5 | 0 | 0 | 0 | 111.7 | H466 Q778 | H466-F776 AromaticContact CE1-CD1 3.32Å; H466-F776 WeakPolarHBondContact CE1-CD1 3.35Å; H466-F776 AromaticContact CE1-CD2 3.73Å; H466-F776 AromaticContact CE1-CE1 3.38Å; H466-F776 WeakPolarHBondContact CE1-CE1 3.31Å; H466-F776 AromaticContact CE1-CE2 3.79Å; H466-F776 AromaticContact CE1-CG 3.51Å; H466-F776 AromaticContact CE1-CZ 3.63Å; H466-F776 AromaticContact ND1-CD1 3.32Å; H466-F776 VanDerWaalsContact ND1-CD1 3.32Å; H466-F776 WeakPolarHBondContact ND1-CD1 3.05Å; H466-F776 AromaticContact ND1-CD2 3.84Å; H466-F776 AromaticContact ND1-CE1 3.9Å; H466-F776 AromaticContact ND1-CG 3.3Å; H466-F776 VanDerWaalsContact ND1-CG 3.3Å; H466-F776 WeakPolarHBondContact ND1-CG 3.39Å; F776-Q778 PolarHBondContact O-N 3.18Å |
| 777 | R | 63.9 | Low | 59.3 | Low | 111 Ų | 111 | 90.2 Ų | 90.2 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 124.7 | 164.9 | 174.3 | 177.4 | 170.1 | -108.2 | 1.2 | 108.3 | L751 Q775 C780 D783 R786 | L751-R777 VanDerWaalsContact CD2-NH2 3.29Å; Q775-R777 PolarHBondContact O-N 3.34Å; R777-C780 PolarHBondContact NH2-SG 2.67Å; R777-D783 IonicContact CZ-OD1 3.26Å; R777-D783 VanDerWaalsContact CZ-OD1 3.26Å; R777-D783 IonicContact CZ-OD2 2.93Å; R777-D783 IonicContact NH1-OD1 2.75Å; R777-D783 PolarHBondContact NH1-OD1 3.48Å; R777-D783 IonicContact NH1-OD2 2.75Å; R777-D783 PolarHBondContact NH1-OD2 3.45Å; R777-D783 IonicContact NH2-OD1 2.86Å; R777-D783 PolarHBondContact NH2-OD1 2.92Å; R777-D783 IonicContact NH2-OD2 3.56Å; R777-D783 PolarHBondContact NH2-OD2 3.32Å; R777-R786 VanDerWaalsContact NH1-CZ 3.31Å |
| 778 | Q | 65.9 | Low | 59.4 | Low | 105 Ų | 105 | 86.1 Ų | 86.1 | 49% | 0.491 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 142 | 176.5 | -68.6 | 158.7 | 4.7 | 0 | 0 | 110.8 | N468 F776 | N468-Q778 PolarHBondContact ND2-NE2 3.38Å; N468-Q778 PolarHBondContact ND2-OE1 2.99Å; N468-Q778 WeakPolarHBondContact OD1-CG 3.47Å; N468-Q778 PolarHBondContact OD1-NE2 3.31Å; N468-Q778 PolarHBondContact OD1-OE1 2.94Å; F776-Q778 PolarHBondContact O-N 3.18Å |
| 779 | L | 67.2 | Low | 60 | Low | 90 Ų | 90 | 82.1 Ų | 82.1 | 47% | 0.471 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 134 | 173.2 | -68.8 | 169.9 | 0 | 0 | 0 | 110.5 | I462 H466 | I462-L779 HydrophobicContact CG2-CD1 3.69Å; H466-L779 HydrophobicContact CB-CD1 4.36Å; H466-L779 HydrophobicContact CB-CG 4.44Å; H466-L779 PolarHBondContact O-N 2.87Å; H466-L779 VanDerWaalsContact O-N 3.15Å |
| 780 | C | 68 | Low | 60.5 | Low | 47 Ų | 47 | 83.6 Ų | 83.6 | 32% | 0.318 | 44% | 0.444 | S | S | . | . | trans | -122 | 157 | 175.1 | 64.2 | 0 | 0 | 0 | 0 | 110.7 | R777 D782 D783 | R777-C780 PolarHBondContact NH2-SG 2.67Å; C780-D782 PolarHBondContact O-N 3.5Å; C780-D782 VanDerWaalsContact O-N 3.09Å; C780-D783 PolarHBondContact N-OD2 3.15Å; C780-D783 VanDerWaalsContact O-CB 3.3Å; C780-D783 WeakPolarHBondContact O-CB 3.47Å; C780-D783 PolarHBondContact O-N 2.93Å; C780-D783 VanDerWaalsContact SG-CG 3.55Å; C780-D783 PolarHBondContact SG-OD2 3.31Å | ||
| 781 | P | 65.5 | Low | 61 | Low | 71 Ų | 71 | 81 Ų | 81 | 46% | 0.461 | 43% | 0.425 | S | S | . | . | G | 310 helix | trans | -55.1 | -30.5 | 179.9 | -27.1 | 35.5 | 0 | 0 | 0 | 113.7 | D783 I784 | P781-D783 PolarHBondContact O-N 3Å; P781-I784 VanDerWaalsContact O-CB 3.29Å; P781-I784 WeakPolarHBondContact O-CB 3.48Å; P781-I784 WeakPolarHBondContact O-CD1 3.42Å; P781-I784 VanDerWaalsContact O-CG1 3.22Å; P781-I784 WeakPolarHBondContact O-CG1 3.38Å; P781-I784 PolarHBondContact O-N 3.02Å |
| 782 | D | 68.1 | Low | 61.6 | Low | 91 Ų | 91 | 78.1 Ų | 78.1 | 49% | 0.487 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -60.1 | -25.1 | 174.3 | -91.5 | 24.2 | 0 | 0 | 0 | 113.8 | C780 I784 R785 | C780-D782 PolarHBondContact O-N 3.5Å; C780-D782 VanDerWaalsContact O-N 3.09Å; D782-I784 PolarHBondContact O-N 3.4Å; D782-R785 VanDerWaalsContact CG-NH1 3.33Å; D782-R785 WeakPolarHBondContact O-CD 3.42Å; D782-R785 WeakPolarHBondContact O-CG 3.43Å; D782-R785 PolarHBondContact O-N 3.01Å; D782-R785 IonicContact OD2-NH1 2.78Å; D782-R785 PolarHBondContact OD2-NH1 3.49Å |
| 783 | D | 71.7 | Confident | 62.1 | Low | 18 Ų | 18 | 72.5 Ų | 72.5 | 10% | 0.096 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -69 | -12.7 | 178.7 | -65.5 | -48.4 | 0 | 0 | 0 | 112.7 | R777 C780 P781 R785 R786 | R777-D783 IonicContact CZ-OD1 3.26Å; R777-D783 VanDerWaalsContact CZ-OD1 3.26Å; R777-D783 IonicContact CZ-OD2 2.93Å; R777-D783 IonicContact NH1-OD1 2.75Å; R777-D783 PolarHBondContact NH1-OD1 3.48Å; R777-D783 IonicContact NH1-OD2 2.75Å; R777-D783 PolarHBondContact NH1-OD2 3.45Å; R777-D783 IonicContact NH2-OD1 2.86Å; R777-D783 PolarHBondContact NH2-OD1 2.92Å; R777-D783 IonicContact NH2-OD2 3.56Å; R777-D783 PolarHBondContact NH2-OD2 3.32Å; C780-D783 PolarHBondContact N-OD2 3.15Å; C780-D783 VanDerWaalsContact O-CB 3.3Å; C780-D783 WeakPolarHBondContact O-CB 3.47Å; C780-D783 PolarHBondContact O-N 2.93Å; C780-D783 VanDerWaalsContact SG-CG 3.55Å; C780-D783 PolarHBondContact SG-OD2 3.31Å; P781-D783 PolarHBondContact O-N 3Å; D783-R785 PolarHBondContact O-N 3.03Å; D783-R786 VanDerWaalsContact O-CB 3.3Å; D783-R786 WeakPolarHBondContact O-CB 3.3Å; D783-R786 PolarHBondContact O-N 3.43Å; D783-R786 IonicContact OD1-CZ 3.38Å; D783-R786 IonicContact OD1-NE 3.34Å; D783-R786 PolarHBondContact OD1-NE 3.34Å; D783-R786 IonicContact OD1-NH1 3.56Å; D783-R786 IonicContact OD1-NH2 3.99Å |
| 784 | I | 67.6 | Low | 62.2 | Low | 51 Ų | 51 | 68.9 Ų | 68.9 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -53.6 | -38.3 | 172 | -71.8 | 170.3 | 0 | 0 | 0 | 111.2 | Y547 F551 P781 D782 R786 A787 F788 | Y547-I784 HydrophobicContact CD1-CD1 4.2Å; Y547-I784 HydrophobicContact CE1-CD1 4.15Å; Y547-I784 HydrophobicContact CG-CD1 4.5Å; F551-I784 HydrophobicContact CE1-CG2 4.5Å; F551-I784 HydrophobicContact CE2-CG2 3.91Å; F551-I784 HydrophobicContact CZ-CG2 3.54Å; P781-I784 VanDerWaalsContact O-CB 3.29Å; P781-I784 WeakPolarHBondContact O-CB 3.48Å; P781-I784 WeakPolarHBondContact O-CD1 3.42Å; P781-I784 VanDerWaalsContact O-CG1 3.22Å; P781-I784 WeakPolarHBondContact O-CG1 3.38Å; P781-I784 PolarHBondContact O-N 3.02Å; D782-I784 PolarHBondContact O-N 3.4Å; I784-R786 PolarHBondContact O-N 2.97Å; I784-A787 WeakPolarHBondContact O-CB 3.38Å; I784-A787 PolarHBondContact O-N 3.46Å; I784-A787 VanDerWaalsContact O-N 3.1Å; I784-F788 HydrophobicContact CG2-CD2 3.83Å; I784-F788 HydrophobicContact CG2-CE2 3.75Å; I784-F788 WeakPolarHBondContact O-CD2 3.22Å; I784-F788 PolarHBondContact O-N 2.91Å |
| 785 | R | 73.1 | Confident | 62.2 | Low | 36 Ų | 36 | 69.6 Ų | 69.6 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.5 | -29.2 | 179.2 | 76.9 | -164.2 | 174.5 | -132.2 | -6.4 | 113 | W743 E747 T750 D782 D783 F788 F789 | W743-R785 HydrophobicContact CH2-CG 4.04Å; W743-R785 HydrophobicContact CZ2-CG 4.38Å; E747-R785 IonicContact OE1-CZ 3.56Å; E747-R785 IonicContact OE1-NE 2.64Å; E747-R785 PolarHBondContact OE1-NE 3Å; E747-R785 IonicContact OE1-NH2 2.79Å; E747-R785 IonicContact OE2-CZ 2.77Å; E747-R785 IonicContact OE2-NE 2.77Å; E747-R785 IonicContact OE2-NH2 3.49Å; E747-R785 PolarHBondContact OE2-NH2 3.14Å; E747-R785 VanDerWaalsContact OE2-NH2 3.15Å; T750-R785 PolarHBondContact OG1-NH2 3.39Å; T750-R785 VanDerWaalsContact OG1-NH2 3.07Å; D782-R785 VanDerWaalsContact CG-NH1 3.33Å; D782-R785 WeakPolarHBondContact O-CD 3.42Å; D782-R785 WeakPolarHBondContact O-CG 3.43Å; D782-R785 PolarHBondContact O-N 3.01Å; D782-R785 IonicContact OD2-NH1 2.78Å; D782-R785 PolarHBondContact OD2-NH1 3.49Å; D783-R785 PolarHBondContact O-N 3.03Å; R785-F788 PolarHBondContact O-N 3.33Å; R785-F789 PolarHBondContact O-N 2.97Å |
| 786 | R | 74.3 | Confident | 61.7 | Low | 71 Ų | 71 | 67.5 Ų | 67.5 | 27% | 0.268 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.8 | -34.8 | 177.1 | -58.4 | 175.2 | 174.4 | -165.2 | -0.5 | 111.7 | W743 E747 R777 D783 I784 L790 | W743-R786 HydrophobicContact CZ2-CG 4.15Å; E747-R786 IonicContact OE2-CZ 3.24Å; E747-R786 VanDerWaalsContact OE2-CZ 3.24Å; E747-R786 IonicContact OE2-NE 2.8Å; E747-R786 PolarHBondContact OE2-NE 2.84Å; E747-R786 IonicContact OE2-NH2 2.82Å; E747-R786 PolarHBondContact OE2-NH2 2.77Å; R777-R786 VanDerWaalsContact NH1-CZ 3.31Å; D783-R786 VanDerWaalsContact O-CB 3.3Å; D783-R786 WeakPolarHBondContact O-CB 3.3Å; D783-R786 PolarHBondContact O-N 3.43Å; D783-R786 IonicContact OD1-CZ 3.38Å; D783-R786 IonicContact OD1-NE 3.34Å; D783-R786 PolarHBondContact OD1-NE 3.34Å; D783-R786 IonicContact OD1-NH1 3.56Å; D783-R786 IonicContact OD1-NH2 3.99Å; I784-R786 PolarHBondContact O-N 2.97Å; R786-L790 WeakPolarHBondContact O-CG 3.28Å; R786-L790 PolarHBondContact O-N 3.05Å |
| 787 | A | 67.7 | Low | 60.7 | Low | 52 Ų | 52 | 64.3 Ų | 64.3 | 43% | 0.43 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | I784 F789 L790 F791 | I784-A787 WeakPolarHBondContact O-CB 3.38Å; I784-A787 PolarHBondContact O-N 3.46Å; I784-A787 VanDerWaalsContact O-N 3.1Å; A787-F789 PolarHBondContact O-N 3.47Å; A787-L790 PolarHBondContact O-N 2.84Å; A787-F791 WeakPolarHBondContact O-CB 3.48Å; A787-F791 PolarHBondContact O-N 3.02Å |
| 788 | F | 66.4 | Low | 59.3 | Low | 31 Ų | 31 | 72 Ų | 72 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -39.7 | 176.2 | -85.3 | -81.5 | 0 | 0 | 0 | 113.4 | V550 F551 I784 R785 L790 F791 F792 | V550-F788 HydrophobicContact CG1-CE1 4.33Å; V550-F788 HydrophobicContact CG1-CE2 4.4Å; V550-F788 HydrophobicContact CG1-CZ 3.83Å; F551-F788 HydrophobicContact CB-CZ 4.33Å; F551-F788 HydrophobicContact CD1-CE1 4.05Å; F551-F788 AromaticContact CD1-CE2 3.54Å; F551-F788 HydrophobicContact CD1-CE2 3.54Å; F551-F788 AromaticContact CD1-CZ 3.22Å; F551-F788 HydrophobicContact CD1-CZ 3.22Å; F551-F788 HydrophobicContact CD2-CE2 4.27Å; F551-F788 HydrophobicContact CD2-CZ 4.24Å; F551-F788 AromaticContact CE1-CD2 3.99Å; F551-F788 HydrophobicContact CE1-CD2 3.99Å; F551-F788 HydrophobicContact CE1-CE1 4.36Å; F551-F788 AromaticContact CE1-CE2 3.21Å; F551-F788 HydrophobicContact CE1-CE2 3.21Å; F551-F788 AromaticContact CE1-CZ 3.45Å; F551-F788 HydrophobicContact CE1-CZ 3.45Å; F551-F788 VanDerWaalsContact CE1-CZ 3.45Å; F551-F788 AromaticContact CE2-CE2 3.98Å; F551-F788 HydrophobicContact CE2-CE2 3.98Å; F551-F788 HydrophobicContact CE2-CZ 4.41Å; F551-F788 HydrophobicContact CG-CE2 4.07Å; F551-F788 AromaticContact CG-CZ 3.66Å; F551-F788 HydrophobicContact CG-CZ 3.66Å; F551-F788 HydrophobicContact CZ-CD2 4.29Å; F551-F788 AromaticContact CZ-CE2 3.47Å; F551-F788 HydrophobicContact CZ-CE2 3.47Å; F551-F788 VanDerWaalsContact CZ-CE2 3.47Å; F551-F788 HydrophobicContact CZ-CZ 4.06Å; I784-F788 HydrophobicContact CG2-CD2 3.83Å; I784-F788 HydrophobicContact CG2-CE2 3.75Å; I784-F788 WeakPolarHBondContact O-CD2 3.22Å; I784-F788 PolarHBondContact O-N 2.91Å; R785-F788 PolarHBondContact O-N 3.33Å; F788-L790 PolarHBondContact O-N 2.92Å; F788-F791 WeakPolarHBondContact O-CB 3.3Å; F788-F791 PolarHBondContact O-N 3.18Å; F788-F791 VanDerWaalsContact O-N 3.07Å; F788-F792 HydrophobicContact CD1-CD2 4.33Å; F788-F792 HydrophobicContact CD1-CE2 4Å; F788-F792 PolarHBondContact O-N 3.33Å |
| 789 | F | 67.3 | Low | 58.9 | Low | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -57.9 | -49 | 174.5 | 178.7 | -98.2 | 0 | 0 | 0 | 112.1 | F575 W595 L739 M740 W743 R785 A787 F791 F792 C793 | F575-F789 AromaticContact CE1-CD2 3.7Å; F575-F789 HydrophobicContact CE1-CD2 3.7Å; F575-F789 HydrophobicContact CE1-CE2 4.33Å; F575-F789 HydrophobicContact CZ-CB 4.15Å; F575-F789 AromaticContact CZ-CD2 3.83Å; F575-F789 HydrophobicContact CZ-CD2 3.83Å; W595-F789 AromaticContact CH2-CD2 3.74Å; W595-F789 HydrophobicContact CH2-CD2 3.74Å; W595-F789 AromaticContact CH2-CE2 3.71Å; W595-F789 HydrophobicContact CH2-CE2 3.71Å; W595-F789 HydrophobicContact CZ3-CD2 4.17Å; W595-F789 AromaticContact CZ3-CE2 3.73Å; W595-F789 HydrophobicContact CZ3-CE2 3.73Å; L739-F789 HydrophobicContact CG-CE2 4.45Å; M740-F789 HydrophobicContact CB-CZ 4.47Å; M740-F789 HydrophobicContact CG-CE1 4.12Å; M740-F789 HydrophobicContact CG-CZ 3.95Å; W743-F789 HydrophobicContact CB-CD2 4.25Å; W743-F789 HydrophobicContact CB-CE1 3.99Å; W743-F789 HydrophobicContact CB-CE2 3.64Å; W743-F789 HydrophobicContact CB-CZ 3.5Å; W743-F789 VanDerWaalsContact CB-CZ 3.5Å; W743-F789 AromaticContact CD1-CD1 3.47Å; W743-F789 VanDerWaalsContact CD1-CD1 3.47Å; W743-F789 AromaticContact CD1-CE1 3.47Å; W743-F789 VanDerWaalsContact CD1-CE1 3.47Å; W743-F789 AromaticContact CD1-CG 3.88Å; W743-F789 AromaticContact CD1-CZ 3.91Å; W743-F789 HydrophobicContact CD2-CB 4.15Å; W743-F789 AromaticContact CD2-CD1 3.97Å; W743-F789 HydrophobicContact CD2-CD1 3.97Å; W743-F789 AromaticContact CD2-CD2 3.41Å; W743-F789 HydrophobicContact CD2-CD2 3.41Å; W743-F789 VanDerWaalsContact CD2-CD2 3.41Å; W743-F789 HydrophobicContact CD2-CE1 4.26Å; W743-F789 AromaticContact CD2-CE2 3.77Å; W743-F789 HydrophobicContact CD2-CE2 3.77Å; W743-F789 AromaticContact CD2-CG 3.54Å; W743-F789 HydrophobicContact CD2-CG 3.54Å; W743-F789 HydrophobicContact CD2-CZ 4.19Å; W743-F789 AromaticContact CE2-CD1 3.81Å; W743-F789 AromaticContact CE2-CD2 3.85Å; W743-F789 AromaticContact CE2-CG 3.46Å; W743-F789 VanDerWaalsContact CE2-CG 3.46Å; W743-F789 AromaticContact CE3-CD2 3.58Å; W743-F789 HydrophobicContact CE3-CD2 3.58Å; W743-F789 HydrophobicContact CE3-CE2 4.02Å; W743-F789 HydrophobicContact CE3-CG 4.08Å; W743-F789 AromaticContact CG-CD1 3.76Å; W743-F789 HydrophobicContact CG-CD1 3.76Å; W743-F789 AromaticContact CG-CD2 3.72Å; W743-F789 HydrophobicContact CG-CD2 3.72Å; W743-F789 AromaticContact CG-CE1 3.63Å; W743-F789 HydrophobicContact CG-CE1 3.63Å; W743-F789 AromaticContact CG-CE2 3.6Å; W743-F789 HydrophobicContact CG-CE2 3.6Å; W743-F789 AromaticContact CG-CG 3.82Å; W743-F789 HydrophobicContact CG-CG 3.82Å; W743-F789 AromaticContact CG-CZ 3.56Å; W743-F789 HydrophobicContact CG-CZ 3.56Å; W743-F789 HydrophobicContact CH2-CB 3.96Å; W743-F789 HydrophobicContact CH2-CD2 4.46Å; W743-F789 HydrophobicContact CH2-CG 4.39Å; W743-F789 HydrophobicContact CZ2-CB 3.58Å; W743-F789 HydrophobicContact CZ2-CD2 4.37Å; W743-F789 AromaticContact CZ2-CG 3.93Å; W743-F789 HydrophobicContact CZ2-CG 3.93Å; W743-F789 HydrophobicContact CZ3-CB 4.41Å; W743-F789 HydrophobicContact CZ3-CD2 4.09Å; W743-F789 HydrophobicContact CZ3-CG 4.45Å; W743-F789 AromaticContact NE1-CD1 3.48Å; W743-F789 AromaticContact NE1-CG 3.66Å; R785-F789 PolarHBondContact O-N 2.97Å; A787-F789 PolarHBondContact O-N 3.47Å; F789-F791 PolarHBondContact O-N 3.33Å; F789-F792 PolarHBondContact O-N 3.26Å; F789-C793 HydrophobicContact CE1-CB 4.46Å; F789-C793 HydrophobicContact CE2-CB 4.15Å; F789-C793 WeakPolarHBondContact CE2-SG 3.35Å; F789-C793 HydrophobicContact CZ-CB 4.07Å; F789-C793 WeakPolarHBondContact O-CB 3.46Å; F789-C793 PolarHBondContact O-N 3.25Å |
| 790 | L | 61 | Low | 58.5 | Low | 112 Ų | 112 | 69.3 Ų | 69.3 | 59% | 0.586 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -68.3 | -17.8 | 176.3 | -68 | 172.2 | 0 | 0 | 0 | 112.8 | R786 A787 F788 P794 | R786-L790 WeakPolarHBondContact O-CG 3.28Å; R786-L790 PolarHBondContact O-N 3.05Å; A787-L790 PolarHBondContact O-N 2.84Å; F788-L790 PolarHBondContact O-N 2.92Å; L790-P794 WeakPolarHBondContact O-CD 3.32Å; L790-P794 VanDerWaalsContact O-CG 3.23Å; L790-P794 WeakPolarHBondContact O-CG 3.43Å |
| 791 | F | 56.2 | Low | 58 | Low | 106 Ų | 106 | 70.5 Ų | 70.5 | 47% | 0.465 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -82.9 | -37.5 | 177.4 | -132.7 | -115.7 | 0 | 0 | 0 | 112.6 | I555 L558 A787 F788 F789 | I555-F791 HydrophobicContact CG1-CE1 4.41Å; L558-F791 HydrophobicContact CD1-CD1 3.14Å; L558-F791 HydrophobicContact CD1-CE1 3.34Å; L558-F791 HydrophobicContact CD1-CG 4.24Å; A787-F791 WeakPolarHBondContact O-CB 3.48Å; A787-F791 PolarHBondContact O-N 3.02Å; F788-F791 WeakPolarHBondContact O-CB 3.3Å; F788-F791 PolarHBondContact O-N 3.18Å; F788-F791 VanDerWaalsContact O-N 3.07Å; F789-F791 PolarHBondContact O-N 3.33Å |
| 792 | F | 56.1 | Low | 57.5 | Low | 28 Ų | 28 | 70.5 Ų | 70.5 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -96.4 | -33 | -175.6 | -84.4 | -80.2 | 0 | 0 | 0 | 115 | V557 L558 F788 F789 | V557-F792 HydrophobicContact CG1-CE1 4.08Å; L558-F792 HydrophobicContact CD2-CD1 4.25Å; L558-F792 HydrophobicContact CD2-CE1 4.16Å; L558-F792 HydrophobicContact CG-CE1 4.21Å; L558-F792 HydrophobicContact CG-CZ 4.39Å; F788-F792 HydrophobicContact CD1-CD2 4.33Å; F788-F792 HydrophobicContact CD1-CE2 4Å; F788-F792 PolarHBondContact O-N 3.33Å; F789-F792 PolarHBondContact O-N 3.26Å |
| 793 | C | 50.4 | Low | 56.9 | Low | 3 Ų | 3 | 69.2 Ų | 69.2 | 2% | 0.02 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -82.6 | -38.4 | -173.2 | -80.4 | 0 | 0 | 0 | 0 | 116 | L736 L739 F789 R795 | L736-C793 HydrophobicContact CD1-CB 3.94Å; L736-C793 WeakPolarHBondContact CD1-O 3.48Å; L739-C793 VanDerWaalsContact CD2-SG 3.52Å; F789-C793 HydrophobicContact CE1-CB 4.46Å; F789-C793 HydrophobicContact CE2-CB 4.15Å; F789-C793 WeakPolarHBondContact CE2-SG 3.35Å; F789-C793 HydrophobicContact CZ-CB 4.07Å; F789-C793 WeakPolarHBondContact O-CB 3.46Å; F789-C793 PolarHBondContact O-N 3.25Å; C793-R795 PolarHBondContact O-N 3.25Å |
| 794 | P | 48.3 | Very low | 55.9 | Low | 69 Ų | 69 | 72.6 Ų | 72.6 | 45% | 0.448 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -79 | -10.2 | -175.6 | -18.1 | 33.2 | 0 | 0 | 0 | 115.4 | L790 R796 | L790-P794 WeakPolarHBondContact O-CD 3.32Å; L790-P794 VanDerWaalsContact O-CG 3.23Å; L790-P794 WeakPolarHBondContact O-CG 3.43Å; P794-R796 PolarHBondContact O-N 2.8Å |
| 795 | R | 41.9 | Very low | 55.1 | Low | 111 Ų | 111 | 74.1 Ų | 74.1 | 42% | 0.419 | 34% | 0.336 | S | S | . | . | trans | -84.4 | 101.5 | -175.3 | -96.3 | -174.2 | 177.8 | 176.5 | 1 | 111.6 | C793 | C793-R795 PolarHBondContact O-N 3.25Š| ||
| 796 | R | 38.7 | Very low | 53.7 | Low | 111 Ų | 111 | 77.1 Ų | 77.1 | 42% | 0.419 | 35% | 0.351 | S | S | . | . | trans | -80.2 | 110 | 151.9 | -170.3 | 177.6 | -177.6 | -176.3 | 3.5 | 106.8 | Y721 F732 P794 Y798 | Y721-R796 PolarHBondContact OH-NH1 3.36Å; F732-R796 HydrophobicContact CE1-CB 4.19Å; F732-R796 HydrophobicContact CZ-CB 4.23Å; P794-R796 PolarHBondContact O-N 2.8Å; R796-Y798 PolarHBondContact O-N 2.95Å | ||
| 797 | N | 36.2 | Very low | 51.9 | Low | 32 Ų | 32 | 77.6 Ų | 77.6 | 17% | 0.171 | 36% | 0.358 | C | S | . | . | trans | -70.2 | 125.5 | 165.2 | -74 | -5.3 | 0 | 0 | 0 | 106.8 | S561 L568 | S561-N797 PolarHBondContact O-ND2 3.42Å; S561-N797 PolarHBondContact OG-ND2 3.33Å; S561-N797 VanDerWaalsContact OG-ND2 3.12Å; L568-N797 HydrophobicContact CD1-CB 4.43Å | ||
| 798 | Y | 33.2 | Very low | 50.5 | Low | 272 Ų | 272 | 79.9 Ų | 79.9 | 100% | 1.067 | 35% | 0.352 | S | S | * | . | trans | -57.8 | 0 | 173.6 | -78.9 | -89.7 | 0 | 0 | 0 | 110.9 | R796 | R796-Y798 PolarHBondContact O-N 2.95Š|
Retrieved 798 of 798 residues in 808.7 ms
(Link to these results)