| 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 | 68.8 | Low | 86.1 | Confident | 168 Ų | 168 | 93.5 Ų | 93.5 | 83% | 0.828 | 49% | 0.489 | S | S | * | . | 0 | -60.3 | 0 | -72.6 | -59.3 | 132.3 | 0 | 0 | 112.1 | L3 F4 F5 | M1-L3 PolarHBondContact O-N 2.99Å; M1-F4 WeakPolarHBondContact O-CB 2.97Å; M1-F4 PolarHBondContact O-N 3.2Å; M1-F5 HydrophobicContact CB-CE2 4.37Å; M1-F5 VanDerWaalsContact O-CD2 3.22Å; M1-F5 WeakPolarHBondContact O-CD2 3.34Å; M1-F5 PolarHBondContact O-N 3.45Å | |||
| 2 | L | 78.9 | Confident | 86.8 | Confident | 155 Ų | 155 | 93.3 Ų | 93.3 | 81% | 0.812 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -51.7 | -47.1 | 178.3 | -79.1 | 156.5 | 0 | 0 | 0 | 114.6 | F4 F5 A6 | L2-F4 VanDerWaalsContact C-N 3.29Å; L2-F4 PolarHBondContact O-N 2.99Å; L2-F5 PolarHBondContact O-N 3.08Å; L2-A6 PolarHBondContact O-N 3.34Å |
| 3 | L | 82.6 | Confident | 87.2 | Confident | 145 Ų | 145 | 95.7 Ų | 95.7 | 76% | 0.759 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.6 | -38 | 177 | -178.6 | 64.8 | 0 | 0 | 0 | 113 | M1 A6 L7 | M1-L3 PolarHBondContact O-N 2.99Å; L3-A6 PolarHBondContact O-N 3.42Å; L3-L7 VanDerWaalsContact O-CB 3.29Å; L3-L7 WeakPolarHBondContact O-CB 3.45Å; L3-L7 PolarHBondContact O-N 3.1Å |
| 4 | F | 83.8 | Confident | 87.6 | Confident | 57 Ų | 57 | 90.6 Ų | 90.6 | 25% | 0.25 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -69.1 | -40.4 | 178.3 | 174.1 | -99.5 | 0 | 0 | 0 | 111.4 | M1 L2 G8 W454 Y457 T458 L461 | M1-F4 WeakPolarHBondContact O-CB 2.97Å; M1-F4 PolarHBondContact O-N 3.2Å; L2-F4 VanDerWaalsContact C-N 3.29Å; L2-F4 PolarHBondContact O-N 2.99Å; F4-G8 PolarHBondContact O-N 3.18Å; F4-W454 HydrophobicContact CD2-CH2 4.08Å; F4-W454 AromaticContact CE2-CH2 3.62Å; F4-W454 HydrophobicContact CE2-CH2 3.62Å; F4-W454 HydrophobicContact CE2-CZ2 4.08Å; F4-W454 HydrophobicContact CE2-CZ3 4.36Å; F4-W454 HydrophobicContact CZ-CH2 4.17Å; F4-W454 HydrophobicContact CZ-CZ2 4.15Å; F4-Y457 HydrophobicContact CD2-CE1 4.43Å; F4-Y457 HydrophobicContact CE2-CD1 4.34Å; F4-Y457 HydrophobicContact CE2-CE1 4.08Å; F4-T458 HydrophobicContact CE2-CG2 4.09Å; F4-T458 HydrophobicContact CZ-CG2 3.54Å; F4-L461 HydrophobicContact CD2-CD1 3.83Å; F4-L461 HydrophobicContact CE2-CD1 3.35Å; F4-L461 HydrophobicContact CZ-CD1 3.97Å |
| 5 | F | 84.8 | Confident | 88 | Confident | 143 Ų | 143 | 85.1 Ų | 85.1 | 63% | 0.627 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -63.8 | -45.1 | 173.1 | -75.7 | -68.7 | 0 | 0 | 0 | 112.1 | M1 L2 G8 L9 | M1-F5 HydrophobicContact CB-CE2 4.37Å; M1-F5 VanDerWaalsContact O-CD2 3.22Å; M1-F5 WeakPolarHBondContact O-CD2 3.34Å; M1-F5 PolarHBondContact O-N 3.45Å; L2-F5 PolarHBondContact O-N 3.08Å; F5-G8 PolarHBondContact O-N 2.89Å; F5-L9 WeakPolarHBondContact O-CB 3.34Å; F5-L9 PolarHBondContact O-N 3.1Å |
| 6 | A | 89.3 | Confident | 88.1 | Confident | 58 Ų | 58 | 85.8 Ų | 85.8 | 48% | 0.479 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L2 L3 L9 L10 | L2-A6 PolarHBondContact O-N 3.34Å; L3-A6 PolarHBondContact O-N 3.42Å; A6-L9 PolarHBondContact O-N 3.28Å; A6-L10 PolarHBondContact O-N 3.33Å |
| 7 | L | 89.2 | Confident | 88.1 | Confident | 79 Ų | 79 | 83.1 Ų | 83.1 | 41% | 0.414 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 175.6 | -177.5 | 65.4 | 0 | 0 | 0 | 111.6 | L3 L9 L10 I11 W454 | L3-L7 VanDerWaalsContact O-CB 3.29Å; L3-L7 WeakPolarHBondContact O-CB 3.45Å; L3-L7 PolarHBondContact O-N 3.1Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 3.42Å; L7-I11 HydrophobicContact CD1-CD1 4.27Å; L7-I11 HydrophobicContact CG-CD1 3.94Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.4Å; L7-I11 PolarHBondContact O-N 2.92Å; L7-W454 HydrophobicContact CD2-CZ3 4.43Å |
| 8 | G | 91.6 | Very high | 88.2 | Confident | 9 Ų | 9 | 78.6 Ų | 78.6 | 9% | 0.093 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F4 F5 I11 H12 | F4-G8 PolarHBondContact O-N 3.18Å; F5-G8 PolarHBondContact O-N 2.89Å; G8-I11 PolarHBondContact O-N 3.18Å; G8-H12 PolarHBondContact O-N 3.12Å; G8-H12 PolarHBondContact O-ND1 2.97Å |
| 9 | L | 92.6 | Very high | 88.1 | Confident | 102 Ų | 102 | 78.3 Ų | 78.3 | 53% | 0.534 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 176.2 | -173.1 | 69.2 | 0 | 0 | 0 | 111.5 | F5 A6 L7 I11 H12 F13 | F5-L9 WeakPolarHBondContact O-CB 3.34Å; F5-L9 PolarHBondContact O-N 3.1Å; A6-L9 PolarHBondContact O-N 3.28Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 3.12Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 3.49Å; L9-H12 PolarHBondContact O-N 3.47Å; L9-F13 HydrophobicContact CD1-CD2 4.49Å; L9-F13 HydrophobicContact CD1-CE2 3.93Å; L9-F13 HydrophobicContact CD1-CZ 4.28Å; L9-F13 HydrophobicContact CD2-CE2 3.8Å; L9-F13 HydrophobicContact CG-CD2 3.93Å; L9-F13 HydrophobicContact CG-CE2 3.49Å; L9-F13 VanDerWaalsContact CG-CE2 3.49Å; L9-F13 HydrophobicContact CG-CZ 4.3Å; L9-F13 VanDerWaalsContact O-CD2 3.26Å; L9-F13 WeakPolarHBondContact O-CD2 3.45Å; L9-F13 PolarHBondContact O-N 2.93Å |
| 10 | L | 92.5 | Very high | 87.8 | Confident | 106 Ų | 106 | 76.5 Ų | 76.5 | 56% | 0.555 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -58.1 | -45 | 176.8 | -178.1 | 67.1 | 0 | 0 | 0 | 112.1 | A6 L7 H12 F13 V14 | A6-L10 PolarHBondContact O-N 3.33Å; L7-L10 PolarHBondContact O-N 3.42Å; L10-H12 VanDerWaalsContact C-N 3.34Å; L10-H12 PolarHBondContact O-N 3.13Å; L10-F13 WeakPolarHBondContact O-CB 3.26Å; L10-F13 PolarHBondContact O-N 3.33Å; L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 3.22Å |
| 11 | I | 93.8 | Very high | 87.6 | Confident | 6 Ų | 6 | 75.3 Ų | 75.3 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 178.2 | -72.8 | 171.7 | 0 | 0 | 0 | 111.1 | L7 G8 L9 F13 V14 F15 W454 L514 I518 | L7-I11 HydrophobicContact CD1-CD1 4.27Å; L7-I11 HydrophobicContact CG-CD1 3.94Å; L7-I11 VanDerWaalsContact O-CG1 3.28Å; L7-I11 WeakPolarHBondContact O-CG1 3.4Å; L7-I11 PolarHBondContact O-N 2.92Å; G8-I11 PolarHBondContact O-N 3.18Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 PolarHBondContact O-N 3.49Å; I11-F13 VanDerWaalsContact C-N 3.33Å; I11-F13 PolarHBondContact O-N 3.22Å; I11-V14 WeakPolarHBondContact O-CB 3.31Å; I11-V14 PolarHBondContact O-N 3.49Å; I11-F15 HydrophobicContact CG2-CD2 3.92Å; I11-F15 HydrophobicContact CG2-CE1 4.36Å; I11-F15 HydrophobicContact CG2-CE2 3.29Å; I11-F15 HydrophobicContact CG2-CZ 3.54Å; I11-F15 WeakPolarHBondContact O-CD2 3.38Å; I11-F15 WeakPolarHBondContact O-CG 3.31Å; I11-F15 PolarHBondContact O-N 3.44Å; I11-W454 HydrophobicContact CD1-CD2 3.93Å; I11-W454 HydrophobicContact CD1-CE3 3.31Å; I11-W454 HydrophobicContact CD1-CH2 3.98Å; I11-W454 HydrophobicContact CD1-CZ3 3.34Å; I11-W454 HydrophobicContact CG2-CD2 4.25Å; I11-W454 HydrophobicContact CG2-CG 4.18Å; I11-L514 HydrophobicContact CG1-CD1 4.15Å; I11-L514 HydrophobicContact CG2-CD2 4.41Å; I11-I518 HydrophobicContact CD1-CD1 4.1Å; I11-I518 HydrophobicContact CD1-CG1 4.46Å |
| 12 | H | 93.4 | Very high | 88.5 | Confident | 91 Ų | 91 | 67.8 Ų | 67.8 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.4 | -31.2 | 177.6 | -71.8 | 82.8 | 0 | 0 | 0 | 112.5 | G8 L9 L10 V14 F15 F16 W454 | G8-H12 PolarHBondContact O-N 3.12Å; G8-H12 PolarHBondContact O-ND1 2.97Å; L9-H12 PolarHBondContact O-N 3.47Å; L10-H12 VanDerWaalsContact C-N 3.34Å; L10-H12 PolarHBondContact O-N 3.13Å; H12-V14 VanDerWaalsContact C-N 3.34Å; H12-F15 PolarHBondContact O-N 2.94Å; H12-F16 VanDerWaalsContact O-CB 3.3Å; H12-F16 WeakPolarHBondContact O-CB 3.36Å; H12-F16 PolarHBondContact O-N 3.07Å; H12-W454 AromaticContact CE1-CD1 3.73Å; H12-W454 AromaticContact CE1-NE1 3.34Å; H12-W454 PolarHBondContact CE1-NE1 3.41Å; H12-W454 VanDerWaalsContact CE1-NE1 3.34Å |
| 13 | F | 93 | Very high | 88.6 | Confident | 125 Ų | 125 | 64.9 Ų | 64.9 | 55% | 0.548 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 169.5 | -78.5 | -55.6 | 0 | 0 | 0 | 112.1 | L9 L10 I11 F16 A17 | L9-F13 HydrophobicContact CD1-CD2 4.49Å; L9-F13 HydrophobicContact CD1-CE2 3.93Å; L9-F13 HydrophobicContact CD1-CZ 4.28Å; L9-F13 HydrophobicContact CD2-CE2 3.8Å; L9-F13 HydrophobicContact CG-CD2 3.93Å; L9-F13 HydrophobicContact CG-CE2 3.49Å; L9-F13 VanDerWaalsContact CG-CE2 3.49Å; L9-F13 HydrophobicContact CG-CZ 4.3Å; L9-F13 VanDerWaalsContact O-CD2 3.26Å; L9-F13 WeakPolarHBondContact O-CD2 3.45Å; L9-F13 PolarHBondContact O-N 2.93Å; L10-F13 WeakPolarHBondContact O-CB 3.26Å; L10-F13 PolarHBondContact O-N 3.33Å; I11-F13 VanDerWaalsContact C-N 3.33Å; I11-F13 PolarHBondContact O-N 3.22Å; F13-F16 PolarHBondContact O-N 2.85Å; F13-A17 WeakPolarHBondContact O-CB 3.34Å; F13-A17 PolarHBondContact O-N 2.87Å |
| 14 | V | 93 | Very high | 88.3 | Confident | 25 Ų | 25 | 59 Ų | 59 | 15% | 0.152 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 173.9 | 173 | 0 | 0 | 0 | 0 | 110.9 | L10 I11 H12 F16 A17 S18 V510 Y511 L514 | L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 3.22Å; I11-V14 WeakPolarHBondContact O-CB 3.31Å; I11-V14 PolarHBondContact O-N 3.49Å; H12-V14 VanDerWaalsContact C-N 3.34Å; V14-F16 VanDerWaalsContact C-N 3.32Å; V14-F16 PolarHBondContact O-N 3.24Å; V14-A17 PolarHBondContact O-N 3.27Å; V14-S18 PolarHBondContact O-N 3.45Å; V14-V510 HydrophobicContact CB-CG1 4.48Å; V14-V510 HydrophobicContact CG1-CG1 3.66Å; V14-V510 HydrophobicContact CG2-CG1 3.94Å; V14-Y511 HydrophobicContact CG1-CD1 3.73Å; V14-Y511 HydrophobicContact CG1-CE1 3.89Å; V14-L514 HydrophobicContact CB-CD2 4.07Å; V14-L514 HydrophobicContact CG1-CD2 3.68Å |
| 15 | F | 92.8 | Very high | 87.8 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 176.4 | -64.7 | -30.4 | 0 | 0 | 0 | 112.4 | 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 3.29Å; I11-F15 HydrophobicContact CG2-CZ 3.54Å; I11-F15 WeakPolarHBondContact O-CD2 3.38Å; I11-F15 WeakPolarHBondContact O-CG 3.31Å; I11-F15 PolarHBondContact O-N 3.44Å; H12-F15 PolarHBondContact O-N 2.94Å; F15-S18 PolarHBondContact O-N 3.42Å; F15-S18 PolarHBondContact O-OG 3.22Å; F15-V447 HydrophobicContact CD1-CG1 4.02Å; F15-G450 VanDerWaalsContact CZ-C 3.46Å; F15-F451 HydrophobicContact CB-CD2 4.5Å; F15-F451 HydrophobicContact CB-CE1 4.25Å; F15-F451 HydrophobicContact CB-CE2 3.56Å; F15-F451 HydrophobicContact CB-CZ 3.41Å; F15-F451 VanDerWaalsContact CB-CZ 3.41Å; F15-F451 HydrophobicContact CD1-CD2 4.06Å; F15-F451 AromaticContact CD1-CE2 3.91Å; F15-F451 HydrophobicContact CD1-CE2 3.91Å; F15-F451 HydrophobicContact CD1-CZ 4.36Å; F15-F451 AromaticContact CD2-CD1 3.66Å; F15-F451 HydrophobicContact CD2-CD1 3.66Å; F15-F451 HydrophobicContact CD2-CD2 4.03Å; F15-F451 AromaticContact CD2-CE1 3.3Å; F15-F451 HydrophobicContact CD2-CE1 3.3Å; F15-F451 AromaticContact CD2-CE2 3.72Å; F15-F451 HydrophobicContact CD2-CE2 3.72Å; F15-F451 HydrophobicContact CD2-CG 4.01Å; F15-F451 AromaticContact CD2-CZ 3.35Å; F15-F451 HydrophobicContact CD2-CZ 3.35Å; F15-F451 HydrophobicContact CE1-CD2 4.25Å; F15-F451 HydrophobicContact CE1-CG 4.49Å; F15-F451 AromaticContact CE2-CD1 3.62Å; F15-F451 HydrophobicContact CE2-CD1 3.62Å; F15-F451 HydrophobicContact CE2-CD2 4.21Å; F15-F451 AromaticContact CE2-CE1 3.78Å; F15-F451 HydrophobicContact CE2-CE1 3.78Å; F15-F451 HydrophobicContact CE2-CE2 4.36Å; F15-F451 AromaticContact CE2-CG 3.86Å; F15-F451 HydrophobicContact CE2-CG 3.86Å; F15-F451 HydrophobicContact CE2-CZ 4.16Å; F15-F451 HydrophobicContact CG-CD1 4.39Å; F15-F451 AromaticContact CG-CD2 3.96Å; F15-F451 HydrophobicContact CG-CD2 3.96Å; F15-F451 AromaticContact CG-CE1 3.95Å; F15-F451 HydrophobicContact CG-CE1 3.95Å; F15-F451 AromaticContact CG-CE2 3.46Å; F15-F451 HydrophobicContact CG-CE2 3.46Å; F15-F451 VanDerWaalsContact CG-CE2 3.46Å; F15-F451 HydrophobicContact CG-CG 4.4Å; F15-F451 AromaticContact CG-CZ 3.47Å; F15-F451 HydrophobicContact CG-CZ 3.47Å; F15-F451 VanDerWaalsContact CG-CZ 3.47Å; F15-F451 HydrophobicContact CZ-CD1 4.35Å; F15-F451 HydrophobicContact CZ-CD2 4.34Å; F15-F451 HydrophobicContact CZ-CG 4.13Å; F15-W454 HydrophobicContact CE2-CB 4.47Å; F15-L514 HydrophobicContact CD1-CD2 4.42Å; F15-L514 HydrophobicContact CE1-CD2 3.83Å; F15-L514 HydrophobicContact CZ-CD2 4.33Å |
| 16 | F | 89.2 | Confident | 87.5 | Confident | 97 Ų | 97 | 54.3 Ų | 54.3 | 43% | 0.425 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 174.8 | 178.3 | -104.8 | 0 | 0 | 0 | 111.8 | H12 F13 V14 S18 I19 F20 L820 | H12-F16 VanDerWaalsContact O-CB 3.3Å; H12-F16 WeakPolarHBondContact O-CB 3.36Å; H12-F16 PolarHBondContact O-N 3.07Å; F13-F16 PolarHBondContact O-N 2.85Å; V14-F16 VanDerWaalsContact C-N 3.32Å; V14-F16 PolarHBondContact O-N 3.24Å; F16-S18 VanDerWaalsContact C-N 3.27Å; F16-S18 PolarHBondContact O-N 3.07Å; F16-I19 WeakPolarHBondContact O-CB 3.44Å; F16-I19 PolarHBondContact O-N 3.03Å; F16-F20 HydrophobicContact CD1-CE2 4.29Å; F16-F20 AromaticContact CE1-CE2 3.72Å; F16-F20 HydrophobicContact CE1-CE2 3.72Å; F16-F20 HydrophobicContact CE1-CZ 4.37Å; F16-F20 HydrophobicContact CE2-CE2 4.3Å; F16-F20 AromaticContact CZ-CE2 3.73Å; F16-F20 HydrophobicContact CZ-CE2 3.73Å; F16-F20 HydrophobicContact CZ-CZ 4.06Å; F16-L820 HydrophobicContact CZ-CD1 4.15Å; F16-L820 HydrophobicContact CZ-CD2 4.2Å |
| 17 | A | 88.3 | Confident | 87 | Confident | 40 Ų | 40 | 53.5 Ų | 53.5 | 33% | 0.331 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.2 | -37.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F13 V14 I19 F20 Y511 | F13-A17 WeakPolarHBondContact O-CB 3.34Å; F13-A17 PolarHBondContact O-N 2.87Å; V14-A17 PolarHBondContact O-N 3.27Å; A17-I19 PolarHBondContact O-N 2.91Å; A17-F20 PolarHBondContact O-N 3.41Å; A17-Y511 PolarHBondContact O-OH 3.27Å |
| 18 | S | 90.5 | Very high | 86.9 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -26.5 | -179.4 | 77.4 | 0 | 0 | 0 | 0 | 113.9 | V14 F15 F16 F20 D21 I22 Y511 | V14-S18 PolarHBondContact O-N 3.45Å; F15-S18 PolarHBondContact O-N 3.42Å; F15-S18 PolarHBondContact O-OG 3.22Å; F16-S18 VanDerWaalsContact C-N 3.27Å; F16-S18 PolarHBondContact O-N 3.07Å; S18-F20 PolarHBondContact O-N 3.13Å; S18-D21 PolarHBondContact O-N 3.11Å; S18-I22 VanDerWaalsContact O-CB 3.3Å; S18-I22 WeakPolarHBondContact O-CB 3.39Å; S18-I22 WeakPolarHBondContact O-CD1 3.48Å; S18-I22 WeakPolarHBondContact O-CG1 3.33Å; S18-I22 PolarHBondContact O-N 3.19Å; S18-Y511 PolarHBondContact N-OH 3.07Å |
| 19 | I | 86.6 | Confident | 86.7 | Confident | 72 Ų | 72 | 50 Ų | 50 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 175.9 | -62.8 | 172.5 | 0 | 0 | 0 | 110 | F16 A17 Y23 F24 | F16-I19 WeakPolarHBondContact O-CB 3.44Å; F16-I19 PolarHBondContact O-N 3.03Å; A17-I19 PolarHBondContact O-N 2.91Å; I19-Y23 HydrophobicContact CB-CD2 4.4Å; I19-Y23 HydrophobicContact CG2-CD2 3.88Å; I19-Y23 WeakPolarHBondContact O-CB 3.2Å; I19-Y23 WeakPolarHBondContact O-CD2 3.46Å; I19-Y23 PolarHBondContact O-N 3.42Å; I19-F24 HydrophobicContact CG2-CE2 4.04Å |
| 20 | F | 82.4 | Confident | 86.5 | Confident | 42 Ų | 42 | 50 Ų | 50 | 18% | 0.184 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.1 | -43.1 | -179.1 | -63 | -88.1 | 0 | 0 | 0 | 112.6 | F16 A17 S18 I22 F24 L820 | F16-F20 HydrophobicContact CD1-CE2 4.29Å; F16-F20 AromaticContact CE1-CE2 3.72Å; F16-F20 HydrophobicContact CE1-CE2 3.72Å; F16-F20 HydrophobicContact CE1-CZ 4.37Å; F16-F20 HydrophobicContact CE2-CE2 4.3Å; F16-F20 AromaticContact CZ-CE2 3.73Å; F16-F20 HydrophobicContact CZ-CE2 3.73Å; F16-F20 HydrophobicContact CZ-CZ 4.06Å; A17-F20 PolarHBondContact O-N 3.41Å; S18-F20 PolarHBondContact O-N 3.13Å; F20-I22 VanDerWaalsContact C-N 3.33Å; F20-I22 PolarHBondContact O-N 3.1Å; F20-F24 HydrophobicContact CB-CD2 4.36Å; F20-F24 AromaticContact CD1-CD2 3.53Å; F20-F24 HydrophobicContact CD1-CD2 3.53Å; F20-F24 HydrophobicContact CD1-CE2 4.22Å; F20-F24 HydrophobicContact CD1-CG 4.42Å; F20-F24 HydrophobicContact CE1-CD2 4.08Å; F20-F24 HydrophobicContact CE1-CE2 4.36Å; F20-F24 HydrophobicContact CG-CD2 4.13Å; F20-F24 CarbonylContact O-C 3.5Å; F20-F24 VanDerWaalsContact O-C 3.24Å; F20-F24 VanDerWaalsContact O-CA 3.25Å; F20-F24 WeakPolarHBondContact O-CA 3.32Å; F20-F24 WeakPolarHBondContact O-CB 3.43Å; F20-F24 PolarHBondContact O-N 3.41Å; F20-F24 VanDerWaalsContact O-O 3.07Å; F20-L820 HydrophobicContact CZ-CD1 4.29Å |
| 21 | D | 83.5 | Confident | 86.2 | Confident | 53 Ų | 53 | 48.5 Ų | 48.5 | 28% | 0.283 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -73.5 | -25.6 | 180 | -78.2 | 10.7 | 0 | 0 | 0 | 113.4 | S18 T507 Y511 | S18-D21 PolarHBondContact O-N 3.11Å; D21-T507 WeakPolarHBondContact OD2-CB 3.32Å; D21-T507 VanDerWaalsContact OD2-CG2 3.31Å; D21-T507 WeakPolarHBondContact OD2-CG2 3.34Å; D21-T507 PolarHBondContact OD2-OG1 3.28Å; D21-Y511 HydrophobicContact CB-CE2 3.84Å; D21-Y511 WeakPolarHBondContact OD2-CE2 3.45Å; D21-Y511 PolarHBondContact OD2-OH 2.83Å |
| 22 | I | 86 | Confident | 86.1 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.051 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -85.4 | -39.1 | -178.7 | -66.7 | 173.9 | 0 | 0 | 0 | 111.9 | S18 F20 R440 L443 V447 | S18-I22 VanDerWaalsContact O-CB 3.3Å; S18-I22 WeakPolarHBondContact O-CB 3.39Å; S18-I22 WeakPolarHBondContact O-CD1 3.48Å; S18-I22 WeakPolarHBondContact O-CG1 3.33Å; S18-I22 PolarHBondContact O-N 3.19Å; F20-I22 VanDerWaalsContact C-N 3.33Å; F20-I22 PolarHBondContact O-N 3.1Å; I22-R440 HydrophobicContact CG2-CB 4.49Å; I22-R440 HydrophobicContact CG2-CG 3.67Å; I22-L443 HydrophobicContact CD1-CB 3.83Å; I22-L443 HydrophobicContact CG1-CB 3.59Å; I22-L443 HydrophobicContact CG1-CD1 3.84Å; I22-L443 HydrophobicContact CG1-CG 4.41Å; I22-V447 HydrophobicContact CD1-CB 4.43Å; I22-V447 HydrophobicContact CD1-CG2 3.92Å |
| 23 | Y | 82.1 | Confident | 85.9 | Confident | 93 Ų | 93 | 49.1 Ų | 49.1 | 37% | 0.365 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -116.8 | -18.8 | -168.2 | -57.9 | -67.1 | 0 | 0 | 0 | 113.7 | I19 R440 E814 | I19-Y23 HydrophobicContact CB-CD2 4.4Å; I19-Y23 HydrophobicContact CG2-CD2 3.88Å; I19-Y23 WeakPolarHBondContact O-CB 3.2Å; I19-Y23 WeakPolarHBondContact O-CD2 3.46Å; I19-Y23 PolarHBondContact O-N 3.42Å; Y23-R440 HydrophobicContact CD1-CG 4.48Å; Y23-R440 HydrophobicContact CE1-CG 4.34Å; Y23-R440 VanDerWaalsContact CE1-CZ 3.46Å; Y23-E814 WeakPolarHBondContact CB-OE1 3.48Å; Y23-E814 WeakPolarHBondContact CD1-OE1 3.48Å |
| 24 | F | 75.8 | Confident | 85.8 | Confident | 21 Ų | 21 | 45.6 Ų | 45.6 | 9% | 0.092 | 26% | 0.264 | C | S | . | . | trans | -121.3 | 68.8 | -175.9 | -56 | -53.6 | 0 | 0 | 0 | 111.1 | I19 F20 D108 V109 S110 N815 | I19-F24 HydrophobicContact CG2-CE2 4.04Å; F20-F24 HydrophobicContact CB-CD2 4.36Å; F20-F24 AromaticContact CD1-CD2 3.53Å; F20-F24 HydrophobicContact CD1-CD2 3.53Å; F20-F24 HydrophobicContact CD1-CE2 4.22Å; F20-F24 HydrophobicContact CD1-CG 4.42Å; F20-F24 HydrophobicContact CE1-CD2 4.08Å; F20-F24 HydrophobicContact CE1-CE2 4.36Å; F20-F24 HydrophobicContact CG-CD2 4.13Å; F20-F24 CarbonylContact O-C 3.5Å; F20-F24 VanDerWaalsContact O-C 3.24Å; F20-F24 VanDerWaalsContact O-CA 3.25Å; F20-F24 WeakPolarHBondContact O-CA 3.32Å; F20-F24 WeakPolarHBondContact O-CB 3.43Å; F20-F24 PolarHBondContact O-N 3.41Å; F20-F24 VanDerWaalsContact O-O 3.07Å; F24-D108 WeakPolarHBondContact CA-OD2 3.47Å; F24-D108 VanDerWaalsContact CB-OD2 3.27Å; F24-D108 WeakPolarHBondContact CB-OD2 3.38Å; F24-D108 WeakPolarHBondContact CD1-OD1 3.39Å; F24-V109 HydrophobicContact CD1-CB 3.84Å; F24-V109 HydrophobicContact CD1-CG2 4.11Å; F24-V109 HydrophobicContact CE1-CB 4.02Å; F24-V109 HydrophobicContact CE1-CG2 3.9Å; F24-V109 HydrophobicContact CG-CB 4.21Å; F24-S110 WeakPolarHBondContact O-CB 3.34Å; F24-S110 PolarHBondContact O-OG 3.48Å; F24-N815 VanDerWaalsContact CE1-OD1 3.22Å; F24-N815 WeakPolarHBondContact CE1-OD1 3.2Å | ||
| 25 | T | 73.5 | Confident | 85.7 | Confident | 54 Ų | 54 | 47 Ų | 47 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | trans | -91.8 | 140.7 | 176 | 62.1 | 0 | 0 | 0 | 0 | 111.2 | D108 | T25-D108 PolarHBondContact N-OD2 2.77Š| ||
| 26 | S | 78.1 | Confident | 85.5 | Confident | 48 Ų | 48 | 53 Ų | 53 | 34% | 0.336 | 30% | 0.295 | S | S | . | . | trans | -52.1 | 130.5 | 174.8 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | L28 H436 | S26-L28 PolarHBondContact O-N 3.5Å; S26-L28 PolarHBondContact OG-N 3.08Å; S26-H436 PolarHBondContact O-CE1 3.45Å; S26-H436 PolarHBondContact O-ND1 2.86Å; S26-H436 VanDerWaalsContact O-ND1 3.13Å | ||
| 27 | P | 78.9 | Confident | 85.7 | Confident | 42 Ų | 42 | 49.2 Ų | 49.2 | 27% | 0.273 | 28% | 0.279 | S | S | . | . | trans | -75.5 | -13.7 | 174.3 | 32.1 | -35.3 | 0 | 0 | 0 | 112.2 | F105 H436 | P27-F105 HydrophobicContact CG-CD2 4.07Å; P27-F105 HydrophobicContact CG-CE2 4.35Å; P27-H436 PolarHBondContact O-CE1 2.58Å | ||
| 28 | L | 87 | Confident | 85.9 | Confident | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | trans | -72.7 | 132.2 | -175.1 | -61.7 | 176 | 0 | 0 | 0 | 111.9 | S26 F105 V121 F123 N339 | S26-L28 PolarHBondContact O-N 3.5Å; S26-L28 PolarHBondContact OG-N 3.08Å; L28-F105 HydrophobicContact CD2-CD1 4.32Å; L28-F105 HydrophobicContact CD2-CD2 4.21Å; L28-F105 HydrophobicContact CD2-CE1 3.88Å; L28-F105 HydrophobicContact CD2-CE2 3.77Å; L28-F105 HydrophobicContact CD2-CG 4.48Å; L28-F105 HydrophobicContact CD2-CZ 3.6Å; L28-F105 HydrophobicContact CG-CE2 4.41Å; L28-F105 HydrophobicContact CG-CZ 4.47Å; L28-V121 HydrophobicContact CD1-CB 4.03Å; L28-V121 HydrophobicContact CD1-CG1 3.59Å; L28-F123 HydrophobicContact CD1-CB 4.13Å; L28-F123 HydrophobicContact CD2-CB 3.98Å; L28-N339 HydrophobicContact CD2-CB 3.82Å | ||
| 29 | V | 88.5 | Confident | 86.1 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | trans | -111.1 | 142.1 | 168.1 | -173.7 | 0 | 0 | 0 | 0 | 107.4 | M32 N339 V373 K374 L432 | V29-M32 HydrophobicContact CB-CE 3.83Å; V29-M32 HydrophobicContact CB-SD 4.47Å; V29-M32 HydrophobicContact CG1-CE 4.17Å; V29-M32 HydrophobicContact CG1-SD 4.48Å; V29-M32 WeakPolarHBondContact O-CE 3.36Å; V29-N339 PolarHBondContact N-OD1 3.47Å; V29-N339 PolarHBondContact O-ND2 3.09Å; V29-N339 PolarHBondContact O-OD1 3.47Å; V29-N339 VanDerWaalsContact O-OD1 3.04Å; V29-V373 HydrophobicContact CG1-CB 3.87Å; V29-V373 HydrophobicContact CG1-CG1 3.52Å; V29-K374 HydrophobicContact CG1-CB 4.48Å; V29-K374 HydrophobicContact CG2-CB 4.23Å; V29-K374 HydrophobicContact CG2-CD 4.23Å; V29-L432 HydrophobicContact CG2-CD1 4.12Å | ||
| 30 | H | 88.5 | Confident | 86.6 | Confident | 102 Ų | 102 | 55 Ų | 55 | 47% | 0.472 | 32% | 0.315 | S | S | . | . | trans | -123.3 | 152.8 | 178.3 | -58.5 | -71.7 | 0 | 0 | 0 | 110.3 | V373 Q377 | H30-V373 WeakPolarHBondContact O-CG1 3.31Å; H30-Q377 PolarHBondContact O-NE2 2.98Å | ||
| 31 | G | 86.1 | Confident | 87.3 | Confident | 74 Ų | 74 | 54.7 Ų | 54.7 | 76% | 0.763 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 97.3 | 12.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 32 | M | 91.1 | Very high | 87.9 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 158.6 | 173.3 | -63.9 | 163.4 | -77.8 | 0 | 0 | 111.8 | V29 L338 E369 Q370 V373 | V29-M32 HydrophobicContact CB-CE 3.83Å; V29-M32 HydrophobicContact CB-SD 4.47Å; V29-M32 HydrophobicContact CG1-CE 4.17Å; V29-M32 HydrophobicContact CG1-SD 4.48Å; V29-M32 WeakPolarHBondContact O-CE 3.36Å; M32-L338 HydrophobicContact CB-CD2 4.09Å; M32-L338 HydrophobicContact CE-CB 4.07Å; M32-E369 HydrophobicContact CG-CB 4.32Å; M32-Q370 HydrophobicContact CE-CG 4.01Å; M32-Q370 WeakPolarHBondContact SD-CA 3.44Å; M32-Q370 HydrophobicContact SD-CB 3.81Å; M32-Q370 HydrophobicContact SD-CG 3.13Å; M32-Q370 WeakPolarHBondContact SD-CG 3.36Å; M32-V373 HydrophobicContact CG-CB 4.24Å; M32-V373 HydrophobicContact CG-CG2 3.76Å |
| 33 | T | 88.5 | Confident | 88.5 | Confident | 93 Ų | 93 | 52.7 Ų | 52.7 | 57% | 0.571 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -100.6 | 128.7 | 173 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | Q35 | T33-Q35 PolarHBondContact O-NE2 2.99Š|
| 34 | P | 90.8 | Very high | 89.2 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 34% | 0.338 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 136.8 | 177.4 | -20.4 | 28.9 | 0 | 0 | 0 | 112.5 | P335 L338 | P34-P335 HydrophobicContact CB-CB 3.72Å; P34-P335 HydrophobicContact CB-CG 4.15Å; P34-L338 HydrophobicContact CB-CD2 4.14Å; P34-L338 HydrophobicContact CG-CD2 3.81Å; P34-L338 HydrophobicContact CG-CG 4.49Å |
| 35 | Q | 91.9 | Very high | 90.3 | Very high | 55 Ų | 55 | 50.8 Ų | 50.8 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | trans | -107.2 | 133.1 | 177.3 | -57.7 | -61.3 | -43.2 | 0 | 0 | 111 | T33 P335 F336 T362 V365 Q366 | T33-Q35 PolarHBondContact O-NE2 2.99Å; Q35-P335 VanDerWaalsContact O-CA 3.27Å; Q35-P335 WeakPolarHBondContact O-CA 3.47Å; Q35-F336 PolarHBondContact O-N 3.03Å; Q35-T362 HydrophobicContact CB-CG2 3.74Å; Q35-V365 HydrophobicContact CG-CB 4.48Å; Q35-V365 HydrophobicContact CG-CG1 3.9Å; Q35-Q366 HydrophobicContact CB-CB 4.36Å; Q35-Q366 HydrophobicContact CG-CB 4.34Å | ||
| 36 | F | 88.9 | Confident | 91.5 | Very high | 133 Ų | 133 | 48.2 Ų | 48.2 | 58% | 0.583 | 29% | 0.286 | S | S | * | . | trans | -120.9 | 147.9 | 178.1 | 72.3 | -86 | 0 | 0 | 0 | 111.9 | P38 P335 | F36-P38 HydrophobicContact CE2-CB 4.46Å; F36-P335 HydrophobicContact CB-CG 4.25Å | ||
| 37 | T | 93.6 | Very high | 92.5 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | trans | -76.5 | 125.8 | 175.4 | -56.9 | 0 | 0 | 0 | 0 | 109.2 | L39 E358 S359 | T37-L39 HydrophobicContact CG2-CB 4.13Å; T37-L39 HydrophobicContact CG2-CD1 4.5Å; T37-L39 HydrophobicContact CG2-CG 4.42Å; T37-L39 PolarHBondContact O-N 3.33Å; T37-E358 HydrophobicContact CG2-CB 4.09Å; T37-S359 WeakPolarHBondContact CG2-OG 3.44Å; T37-S359 PolarHBondContact OG1-OG 3.03Å | ||
| 38 | P | 91.7 | Very high | 93.5 | Very high | 79 Ų | 79 | 43.9 Ų | 43.9 | 51% | 0.513 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -81.9 | 39.1 | -176.4 | 35.7 | -37.9 | 0 | 0 | 0 | 112.8 | F36 | F36-P38 HydrophobicContact CE2-CB 4.46Š|
| 39 | L | 95.8 | Very high | 94 | Very high | 48 Ų | 48 | 43.2 Ų | 43.2 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -134.3 | 150.1 | -179.6 | -66.2 | 174.7 | 0 | 0 | 0 | 110.6 | T37 L354 F355 E358 | T37-L39 HydrophobicContact CG2-CB 4.13Å; T37-L39 HydrophobicContact CG2-CD1 4.5Å; T37-L39 HydrophobicContact CG2-CG 4.42Å; T37-L39 PolarHBondContact O-N 3.33Å; L39-L354 HydrophobicContact CD1-CG 4.2Å; L39-F355 HydrophobicContact CB-CD2 4Å; L39-F355 HydrophobicContact CB-CE2 4.41Å; L39-F355 HydrophobicContact CD1-CB 4.26Å; L39-F355 HydrophobicContact CD1-CD2 4.18Å; L39-E358 HydrophobicContact CD1-CB 3.78Å; L39-E358 HydrophobicContact CD1-CG 3.94Å |
| 40 | P | 95.8 | Very high | 94.5 | Very high | 108 Ų | 108 | 43.2 Ų | 43.2 | 70% | 0.701 | 25% | 0.253 | S | S | * | . | trans | -59.2 | 129.9 | 177 | -23.6 | 33.8 | 0 | 0 | 0 | 111.6 | F355 | P40-F355 WeakPolarHBondContact O-CE2 3.26Š| ||
| 41 | P | 96.6 | Very high | 95 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 24% | 0.24 | 23% | 0.231 | C | C | . | . | trans | -71.7 | 152.3 | 177.2 | 29.7 | -34.7 | 0 | 0 | 0 | 111.9 | L331 I332 | P41-L331 WeakPolarHBondContact CB-O 3.38Å; P41-I332 WeakPolarHBondContact CG-O 3.34Å | ||
| 42 | P | 97 | Very high | 95.5 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 13% | 0.13 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -71.2 | -28.7 | 179.3 | 28 | -35.1 | 0 | 0 | 0 | 113.5 | G289 L331 F355 | P42-G289 VanDerWaalsContact CB-CA 3.5Å; P42-L331 VanDerWaalsContact CD-O 3.25Å; P42-L331 WeakPolarHBondContact CD-O 3.27Å; P42-L331 HydrophobicContact CG-CD2 4Å; P42-L331 WeakPolarHBondContact CG-O 3.48Å; P42-F355 HydrophobicContact CG-CZ 4.44Å |
| 43 | A | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | trans | -115.3 | 151 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A256 A288 L331 I332 | A43-A256 HydrophobicContact CB-CB 3.98Å; A43-A288 HydrophobicContact CB-CB 3.78Å; A43-L331 WeakPolarHBondContact CA-O 3.18Å; A43-L331 VanDerWaalsContact CB-O 3.32Å; A43-L331 WeakPolarHBondContact CB-O 3.08Å; A43-L331 PolarHBondContact N-O 3.49Å; A43-I332 HydrophobicContact CB-CG2 4.27Å | ||
| 44 | K | 98.2 | Very high | 96.2 | Very high | 68 Ų | 68 | 29.7 Ų | 29.7 | 30% | 0.296 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -91.9 | -28.4 | 168.5 | -69.6 | -170.7 | 173.1 | -142.3 | 0 | 111.9 | E202 K203 V204 K254 | K44-E202 HydrophobicContact CB-CG 4.47Å; K44-E202 HydrophobicContact CD-CG 3.99Å; K44-E202 WeakPolarHBondContact CE-OE1 3.28Å; K44-E202 HydrophobicContact CG-CG 4.02Å; K44-E202 IonicContact NZ-OE1 3.58Å; K44-E202 PolarHBondContact NZ-OE1 3.3Å; K44-E202 CarbonylContact O-C 3.58Å; K44-K203 PolarHBondContact O-N 2.92Å; K44-V204 PolarHBondContact O-N 3.39Å; K44-K254 HydrophobicContact CB-CB 4.08Å; K44-K254 HydrophobicContact CD-CB 4.32Å; K44-K254 HydrophobicContact CD-CG 4.33Å; K44-K254 HydrophobicContact CG-CB 3.99Å; K44-K254 HydrophobicContact CG-CD 4.43Å; K44-K254 HydrophobicContact CG-CG 4.26Å; K44-K254 PolarHBondContact N-O 3.06Å |
| 45 | R | 98.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 146.3 | -173.1 | 69.1 | -158.4 | 101.5 | -131.4 | 11.9 | 111.7 | V199 V204 F206 Y249 D252 K254 T255 A256 | R45-V199 PolarHBondContact NH1-O 2.65Å; R45-V204 CarbonylContact C-O 3.22Å; R45-V204 VanDerWaalsContact CA-O 3.23Å; R45-V204 WeakPolarHBondContact CA-O 3.43Å; R45-V204 HydrophobicContact CB-CB 4.07Å; R45-V204 HydrophobicContact CB-CG1 4.43Å; R45-F206 HydrophobicContact CB-CE2 4.4Å; R45-Y249 VanDerWaalsContact CD-CE2 3.49Å; R45-Y249 VanDerWaalsContact CZ-CE1 3.44Å; R45-Y249 VanDerWaalsContact NH1-CD1 3.27Å; R45-D252 IonicContact CZ-OD2 3.49Å; R45-D252 IonicContact NH2-OD2 3.37Å; R45-D252 PolarHBondContact NH2-OD2 2.94Å; R45-K254 PolarHBondContact N-O 3.23Å; R45-T255 VanDerWaalsContact CD-OG1 3.23Å; R45-T255 WeakPolarHBondContact CD-OG1 3.26Å; R45-T255 HydrophobicContact CG-CG2 3.87Å; R45-T255 VanDerWaalsContact CG-OG1 3.27Å; R45-T255 WeakPolarHBondContact CG-OG1 3.36Å; R45-T255 PolarHBondContact NE-OG1 3.13Å; R45-T255 WeakPolarHBondContact O-CA 3.37Å; R45-A256 PolarHBondContact O-N 3.13Å |
| 46 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135.6 | 179.7 | 177.9 | 74.1 | 0 | 0 | 0 | 109.8 | L126 V204 V205 F206 A256 I258 M328 L331 I332 | L46-L126 HydrophobicContact CD2-CD2 3.78Å; L46-V204 PolarHBondContact N-O 3.04Å; L46-V205 CarbonylContact O-C 3.47Å; L46-V205 WeakPolarHBondContact O-CA 3.25Å; L46-F206 PolarHBondContact O-N 2.89Å; L46-A256 CarbonylContact C-O 3.59Å; L46-A256 WeakPolarHBondContact CA-O 3.31Å; L46-A256 HydrophobicContact CD1-CB 3.96Å; L46-I258 HydrophobicContact CD1-CD1 3.97Å; L46-I258 HydrophobicContact CD1-CG1 4.13Å; L46-M328 HydrophobicContact CD1-CG 4.44Å; L46-M328 HydrophobicContact CD2-CB 3.65Å; L46-M328 HydrophobicContact CD2-CG 3.52Å; L46-M328 HydrophobicContact CD2-SD 3.61Å; L46-L331 HydrophobicContact CD1-CD1 4.45Å; L46-I332 HydrophobicContact CB-CG2 3.79Å |
| 47 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 115.6 | 171.3 | -170.5 | 0 | 0 | 0 | 0 | 108.8 | F49 F206 L208 F245 T255 A256 F257 I258 | V47-F49 HydrophobicContact CB-CE2 4.33Å; V47-F49 HydrophobicContact CG1-CD2 4.19Å; V47-F49 HydrophobicContact CG1-CE1 4.27Å; V47-F49 HydrophobicContact CG1-CE2 3.56Å; V47-F49 HydrophobicContact CG1-CZ 3.6Å; V47-F206 CarbonylContact C-O 3.59Å; V47-F206 WeakPolarHBondContact CA-O 3.4Å; V47-F206 HydrophobicContact CG1-CB 4.31Å; V47-F206 HydrophobicContact CG2-CB 4.32Å; V47-F206 HydrophobicContact CG2-CD2 4.27Å; V47-L208 HydrophobicContact CG1-CD1 3.91Å; V47-F245 HydrophobicContact CG1-CE2 4.34Å; V47-F245 HydrophobicContact CG1-CZ 4.26Å; V47-F245 HydrophobicContact CG2-CD1 3.65Å; V47-F245 HydrophobicContact CG2-CD2 4.47Å; V47-F245 HydrophobicContact CG2-CE1 3.34Å; V47-F245 HydrophobicContact CG2-CE2 4.2Å; V47-F245 HydrophobicContact CG2-CG 4.21Å; V47-F245 HydrophobicContact CG2-CZ 3.63Å; V47-T255 HydrophobicContact CG2-CG2 3.88Å; V47-A256 PolarHBondContact N-O 3.04Å; V47-F257 HydrophobicContact CB-CD1 3.65Å; V47-F257 HydrophobicContact CB-CE1 4.02Å; V47-F257 HydrophobicContact CG1-CD1 4.23Å; V47-F257 HydrophobicContact CG2-CD1 3.9Å; V47-F257 HydrophobicContact CG2-CE1 3.76Å; V47-F257 WeakPolarHBondContact O-CA 3.44Å; V47-I258 PolarHBondContact O-N 2.74Å |
| 48 | L | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 115.8 | 179.2 | 176.3 | 63.4 | 0 | 0 | 0 | 109.4 | V50 I102 F206 F207 L208 I258 T260 M328 | L48-V50 HydrophobicContact CD1-CG2 4.07Å; L48-V50 HydrophobicContact CD2-CG2 4.24Å; L48-V50 HydrophobicContact CG-CG2 3.97Å; L48-I102 HydrophobicContact CD2-CD1 4.45Å; L48-I102 HydrophobicContact CD2-CG1 4.03Å; L48-F206 PolarHBondContact N-O 3.22Å; L48-F207 HydrophobicContact CB-CD2 4.25Å; L48-F207 HydrophobicContact CD2-CD2 3.8Å; L48-F207 HydrophobicContact CD2-CE2 4.16Å; L48-F207 HydrophobicContact CG-CD2 3.94Å; L48-F207 HydrophobicContact CG-CE2 4.37Å; L48-L208 PolarHBondContact O-N 3.1Å; L48-I258 HydrophobicContact CD1-CB 3.97Å; L48-I258 HydrophobicContact CD1-CG2 3.73Å; L48-T260 HydrophobicContact CD1-CG2 4.26Å; 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 4.49Å |
| 49 | F | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 121.9 | 169.2 | -57 | -87 | 0 | 0 | 0 | 109 | V47 L208 V238 I241 V242 F257 I258 F259 T260 | V47-F49 HydrophobicContact CB-CE2 4.33Å; V47-F49 HydrophobicContact CG1-CD2 4.19Å; V47-F49 HydrophobicContact CG1-CE1 4.27Å; V47-F49 HydrophobicContact CG1-CE2 3.56Å; V47-F49 HydrophobicContact CG1-CZ 3.6Å; F49-L208 HydrophobicContact CD1-CB 3.94Å; F49-L208 HydrophobicContact CD1-CD1 4.22Å; F49-L208 HydrophobicContact CD1-CD2 3.93Å; F49-L208 HydrophobicContact CD1-CG 4.26Å; F49-L208 HydrophobicContact CE1-CB 4.45Å; F49-L208 HydrophobicContact CE1-CD1 4.05Å; F49-L208 HydrophobicContact CE1-CD2 3.63Å; F49-L208 HydrophobicContact CE1-CG 4.28Å; F49-V238 HydrophobicContact CD1-CG2 3.89Å; F49-V238 HydrophobicContact CD2-CG1 4.29Å; F49-V238 HydrophobicContact CE1-CG1 4.39Å; F49-V238 HydrophobicContact CE1-CG2 4.15Å; F49-V238 HydrophobicContact CE2-CG1 4.08Å; F49-V238 HydrophobicContact CG-CG2 4.2Å; F49-V238 HydrophobicContact CZ-CG1 4.14Å; F49-I241 HydrophobicContact CE1-CB 4.13Å; F49-I241 HydrophobicContact CE1-CG2 3.89Å; F49-I241 HydrophobicContact CZ-CB 4.16Å; F49-I241 HydrophobicContact CZ-CG2 3.77Å; F49-V242 HydrophobicContact CE2-CG2 4.36Å; F49-V242 HydrophobicContact CZ-CG2 4.37Å; F49-F257 HydrophobicContact CE2-CD1 4.07Å; F49-I258 PolarHBondContact N-O 3.16Å; 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 3.43Å; F49-T260 PolarHBondContact O-N 3.12Å |
| 50 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 110 | 171.3 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | L48 D52 H98 L101 F207 L208 L210 T260 D262 | L48-V50 HydrophobicContact CD1-CG2 4.07Å; L48-V50 HydrophobicContact CD2-CG2 4.24Å; L48-V50 HydrophobicContact CG-CG2 3.97Å; V50-D52 PolarHBondContact O-N 3.34Å; V50-H98 WeakPolarHBondContact CG1-NE2 3.01Å; V50-L101 HydrophobicContact CG1-CD1 4.11Å; V50-L101 HydrophobicContact CG2-CD1 3.94Å; V50-F207 HydrophobicContact CB-CE2 3.99Å; V50-F207 HydrophobicContact CG2-CE2 3.67Å; V50-L208 PolarHBondContact N-O 3.3Å; V50-L210 PolarHBondContact O-N 3.41Å; V50-T260 WeakPolarHBondContact CA-O 3.41Å; V50-T260 HydrophobicContact CG2-CG2 3.99Å; V50-D262 HydrophobicContact CG1-CB 4.15Å |
| 51 | A | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 97.4 | 173 | 0 | 0 | 0 | 0 | 0 | 108.8 | L54 I213 V234 F259 T260 S261 | A51-L54 HydrophobicContact CB-CB 4Å; A51-L54 HydrophobicContact CB-CD2 3.73Å; A51-L54 VanDerWaalsContact O-CB 3.29Å; A51-L54 WeakPolarHBondContact O-CB 3.2Å; A51-L54 PolarHBondContact O-N 2.92Å; A51-I213 HydrophobicContact CB-CD1 4.03Å; A51-V234 HydrophobicContact CB-CG1 4.47Å; A51-F259 HydrophobicContact CB-CE2 4.16Å; A51-F259 HydrophobicContact CB-CZ 3.9Å; A51-T260 PolarHBondContact N-O 3.12Å; A51-S261 WeakPolarHBondContact O-CB 3.48Å; A51-S261 PolarHBondContact O-OG 3.2Å |
| 52 | D | 97.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 137.3 | -174 | -163.3 | -37.3 | 0 | 0 | 0 | 110.7 | V50 L54 S94 H209 L210 L211 I213 D214 D262 H263 | V50-D52 PolarHBondContact O-N 3.34Å; D52-L54 VanDerWaalsContact C-N 3.25Å; D52-L54 PolarHBondContact O-N 3.45Å; D52-S94 PolarHBondContact OD1-OG 3.32Å; D52-S94 WeakPolarHBondContact OD2-CB 3.33Å; D52-S94 PolarHBondContact OD2-OG 2.82Å; D52-H209 IonicContact OD2-CE1 3.15Å; D52-H209 IonicContact OD2-NE2 3.56Å; D52-H209 PolarHBondContact OD2-NE2 3.36Å; D52-H209 VanDerWaalsContact OD2-NE2 3.13Å; D52-L210 PolarHBondContact N-O 3.46Å; D52-L211 HydrophobicContact CB-CD1 4.1Å; D52-I213 WeakPolarHBondContact O-CB 2.97Å; D52-D214 HydrophobicContact CB-CB 4Å; D52-D214 PolarHBondContact O-N 3.21Å; D52-D214 WeakPolarHBondContact OD1-CB 3.31Å; D52-D262 VanDerWaalsContact CA-OD1 3.3Å; D52-D262 WeakPolarHBondContact CA-OD1 3.43Å; D52-H263 IonicContact OD1-CE1 3.99Å; D52-H263 IonicContact OD1-NE2 3.75Å |
| 53 | G | 96.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 14.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y227 D262 H263 | G53-Y227 PolarHBondContact O-OH 3.16Å; G53-D262 PolarHBondContact N-OD1 2.89Å; G53-H263 CarbonylContact C-O 3.55Å; G53-H263 WeakPolarHBondContact CA-O 3.46Å; G53-H263 PolarHBondContact N-O 3.48Å |
| 54 | L | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -84.4 | 116.6 | -178 | 176.7 | 61.9 | 0 | 0 | 0 | 111.9 | A51 D52 L59 I213 I231 F259 S261 H263 P282 | A51-L54 HydrophobicContact CB-CB 4Å; A51-L54 HydrophobicContact CB-CD2 3.73Å; A51-L54 VanDerWaalsContact O-CB 3.29Å; A51-L54 WeakPolarHBondContact O-CB 3.2Å; A51-L54 PolarHBondContact O-N 2.92Å; D52-L54 VanDerWaalsContact C-N 3.25Å; D52-L54 PolarHBondContact O-N 3.45Å; L54-L59 HydrophobicContact CD1-CB 4.31Å; L54-L59 HydrophobicContact CD2-CB 4.46Å; L54-L59 HydrophobicContact CD2-CD1 4.17Å; L54-L59 HydrophobicContact CD2-CD2 4.4Å; L54-I213 HydrophobicContact CB-CD1 4.46Å; L54-I213 HydrophobicContact CB-CG2 4.14Å; L54-I213 HydrophobicContact CD1-CD1 4.32Å; L54-I213 HydrophobicContact CD1-CG2 4.37Å; L54-I231 HydrophobicContact CD1-CD1 3.66Å; L54-I231 HydrophobicContact CD1-CG1 3.79Å; L54-F259 HydrophobicContact CD2-CE1 3.75Å; L54-F259 HydrophobicContact CD2-CZ 3.73Å; L54-S261 PolarHBondContact N-OG 3.11Å; L54-S261 VanDerWaalsContact N-OG 3.09Å; L54-S261 WeakPolarHBondContact O-CB 3.33Å; L54-S261 PolarHBondContact O-OG 3.26Å; L54-H263 PolarHBondContact N-O 3.02Å; L54-P282 HydrophobicContact CD2-CG 3.74Å; L54-P282 HydrophobicContact CG-CG 3.9Å; L54-P282 WeakPolarHBondContact O-CD 3.46Å | ||
| 55 | R | 95.8 | Very high | 95.4 | Very high | 25 Ų | 25 | 25.7 Ų | 25.7 | 9% | 0.094 | 13% | 0.127 | C | C | . | . | trans | -74.1 | 141.6 | 175 | -57.5 | 165.4 | 55.3 | 161.1 | -2.9 | 111.8 | D57 T58 L59 Y227 M265 D267 S277 | R55-D57 VanDerWaalsContact C-N 3.33Å; R55-D57 WeakPolarHBondContact CB-OD1 3.25Å; R55-D57 IonicContact CZ-OD1 2.92Å; R55-D57 IonicContact CZ-OD2 3.61Å; R55-D57 IonicContact NE-OD1 3.1Å; R55-D57 PolarHBondContact NE-OD1 3.22Å; R55-D57 IonicContact NE-OD2 2.73Å; R55-D57 PolarHBondContact NE-OD2 3.37Å; R55-D57 IonicContact NH2-OD1 3.51Å; R55-D57 PolarHBondContact NH2-OD1 3.15Å; R55-D57 IonicContact NH2-OD2 2.77Å; R55-D57 PolarHBondContact NH2-OD2 3.07Å; R55-D57 PolarHBondContact O-N 3.44Å; R55-T58 PolarHBondContact O-N 3.4Å; R55-L59 PolarHBondContact O-N 3.15Å; R55-Y227 PolarHBondContact N-OH 3.3Å; R55-M265 WeakPolarHBondContact CD-O 3.45Å; R55-D267 IonicContact CZ-OD1 3.89Å; R55-D267 IonicContact NH1-OD1 3.74Å; R55-D267 PolarHBondContact NH1-OD1 3.46Å; R55-D267 IonicContact NH2-OD1 2.75Å; R55-S277 WeakPolarHBondContact CG-O 3.48Å | ||
| 56 | A | 95.9 | Very high | 95 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.6 | -44.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T58 L59 Y60 V85 L280 | A56-T58 PolarHBondContact O-N 2.85Å; A56-L59 PolarHBondContact O-N 2.91Å; A56-Y60 HydrophobicContact CB-CD2 4.27Å; A56-Y60 HydrophobicContact CB-CE2 4.12Å; A56-Y60 WeakPolarHBondContact O-CD2 3.49Å; A56-Y60 PolarHBondContact O-N 3.47Å; A56-Y60 VanDerWaalsContact O-N 3.11Å; A56-V85 HydrophobicContact CB-CG2 4.42Å; A56-L280 HydrophobicContact CB-CB 4.29Å; A56-L280 WeakPolarHBondContact CB-O 3.41Å; A56-L280 PolarHBondContact N-O 3.13Å; A56-L280 VanDerWaalsContact N-O 3.08Å |
| 57 | D | 93.8 | Very high | 94.8 | Very high | 25 Ų | 25 | 31.3 Ų | 31.3 | 13% | 0.134 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.7 | -49.2 | -179.2 | 56.4 | 17.5 | 0 | 0 | 0 | 111.9 | R55 L59 Y60 E61 | R55-D57 VanDerWaalsContact C-N 3.33Å; R55-D57 WeakPolarHBondContact CB-OD1 3.25Å; R55-D57 IonicContact CZ-OD1 2.92Å; R55-D57 IonicContact CZ-OD2 3.61Å; R55-D57 IonicContact NE-OD1 3.1Å; R55-D57 PolarHBondContact NE-OD1 3.22Å; R55-D57 IonicContact NE-OD2 2.73Å; R55-D57 PolarHBondContact NE-OD2 3.37Å; R55-D57 IonicContact NH2-OD1 3.51Å; R55-D57 PolarHBondContact NH2-OD1 3.15Å; R55-D57 IonicContact NH2-OD2 2.77Å; R55-D57 PolarHBondContact NH2-OD2 3.07Å; R55-D57 PolarHBondContact O-N 3.44Å; D57-L59 VanDerWaalsContact C-N 3.27Å; D57-L59 PolarHBondContact O-N 2.9Å; D57-Y60 PolarHBondContact O-N 3.49Å; D57-Y60 VanDerWaalsContact O-N 3.17Å; D57-E61 WeakPolarHBondContact O-CB 3.23Å; D57-E61 WeakPolarHBondContact O-CG 3.24Å; D57-E61 PolarHBondContact O-N 3.12Å |
| 58 | T | 93.6 | Very high | 94.6 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69.9 | -27.5 | -173.5 | -47.2 | 0 | 0 | 0 | 0 | 112.1 | R55 A56 Y227 K228 I231 | R55-T58 PolarHBondContact O-N 3.4Å; A56-T58 PolarHBondContact O-N 2.85Å; T58-Y227 HydrophobicContact CG2-CD1 4.21Å; T58-Y227 HydrophobicContact CG2-CE1 3.88Å; T58-K228 HydrophobicContact CG2-CG 4.33Å; T58-I231 HydrophobicContact CG2-CD1 3.54Å |
| 59 | L | 96.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72.2 | -45.5 | 172.2 | -176 | 72.9 | 0 | 0 | 0 | 112 | L54 R55 A56 D57 A70 I73 I231 F259 P282 | L54-L59 HydrophobicContact CD1-CB 4.31Å; L54-L59 HydrophobicContact CD2-CB 4.46Å; L54-L59 HydrophobicContact CD2-CD1 4.17Å; L54-L59 HydrophobicContact CD2-CD2 4.4Å; R55-L59 PolarHBondContact O-N 3.15Å; A56-L59 PolarHBondContact O-N 2.91Å; D57-L59 VanDerWaalsContact C-N 3.27Å; D57-L59 PolarHBondContact O-N 2.9Å; L59-A70 HydrophobicContact CD1-CB 3.43Å; L59-A70 VanDerWaalsContact CD1-CB 3.43Å; L59-A70 HydrophobicContact CG-CB 4.45Å; L59-I73 HydrophobicContact CD2-CG2 4.27Å; L59-I231 HydrophobicContact CD1-CG2 4Å; L59-F259 HydrophobicContact CD1-CE1 4.27Å; L59-F259 HydrophobicContact CD2-CD1 4.41Å; L59-F259 HydrophobicContact CD2-CE1 3.85Å; 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 4.41Å |
| 60 | Y | 96.2 | Very high | 94.3 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -87.4 | -26.3 | -171 | -62 | -42.1 | 0 | 0 | 0 | 114.1 | A56 D57 R74 I77 W83 G84 P282 F283 V284 W309 L311 | A56-Y60 HydrophobicContact CB-CD2 4.27Å; A56-Y60 HydrophobicContact CB-CE2 4.12Å; A56-Y60 WeakPolarHBondContact O-CD2 3.49Å; A56-Y60 PolarHBondContact O-N 3.47Å; A56-Y60 VanDerWaalsContact O-N 3.11Å; D57-Y60 PolarHBondContact O-N 3.49Å; D57-Y60 VanDerWaalsContact O-N 3.17Å; Y60-R74 PolarHBondContact O-NH1 3.37Å; Y60-I77 HydrophobicContact CD1-CD1 4.03Å; Y60-I77 HydrophobicContact CE1-CD1 3.65Å; Y60-W83 HydrophobicContact CD2-CZ3 4.37Å; Y60-W83 HydrophobicContact CE1-CE3 4.23Å; Y60-W83 HydrophobicContact CE2-CE3 4.28Å; Y60-W83 HydrophobicContact CE2-CZ3 4.19Å; Y60-W83 AromaticContact CZ-CE3 3.98Å; Y60-G84 PolarHBondContact OH-O 2.94Å; Y60-P282 HydrophobicContact CE1-CB 4.33Å; Y60-P282 HydrophobicContact CE2-CB 4.02Å; Y60-P282 WeakPolarHBondContact OH-CA 3.38Å; Y60-P282 WeakPolarHBondContact OH-CB 3.18Å; Y60-F283 PolarHBondContact OH-N 2.88Å; Y60-F283 PolarHBondContact OH-O 2.96Å; Y60-V284 HydrophobicContact CE1-CG2 4.2Å; Y60-W309 VanDerWaalsContact CB-CG 3.47Å; Y60-W309 AromaticContact CD2-CD2 4Å; Y60-W309 HydrophobicContact CD2-CD2 4Å; Y60-W309 AromaticContact CD2-CE3 3.81Å; Y60-W309 HydrophobicContact CD2-CE3 3.81Å; Y60-W309 AromaticContact CD2-CH2 3.9Å; Y60-W309 HydrophobicContact CD2-CH2 3.9Å; Y60-W309 HydrophobicContact CD2-CZ2 4.06Å; Y60-W309 AromaticContact CD2-CZ3 3.77Å; Y60-W309 HydrophobicContact CD2-CZ3 3.77Å; Y60-W309 HydrophobicContact CE2-CH2 4.48Å; Y60-W309 HydrophobicContact CE2-CZ3 4.32Å; Y60-W309 HydrophobicContact CG-CD2 4.18Å; Y60-W309 HydrophobicContact CG-CE3 4.24Å; Y60-L311 HydrophobicContact CD1-CD1 4.33Å |
| 61 | E | 93.2 | Very high | 94.2 | Very high | 63 Ų | 63 | 37 Ų | 37 | 29% | 0.294 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -63.5 | 142.3 | 175.3 | -79.1 | 173.7 | -166.9 | 0 | 0 | 112.1 | D57 R69 | D57-E61 WeakPolarHBondContact O-CB 3.23Å; D57-E61 WeakPolarHBondContact O-CG 3.24Å; D57-E61 PolarHBondContact O-N 3.12Å; E61-R69 PolarHBondContact O-NH1 2.72Å |
| 62 | L | 92.4 | Very high | 94.3 | Very high | 28 Ų | 28 | 38.3 Ų | 38.3 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -79.9 | 158.5 | 169.7 | -57.2 | 175.6 | 0 | 0 | 0 | 110.4 | N67 R69 R310 | L62-N67 CarbonylContact C-O 3.6Å; L62-N67 VanDerWaalsContact CA-O 3.32Å; L62-N67 WeakPolarHBondContact CA-O 3.36Å; L62-R69 VanDerWaalsContact C-NH1 3.29Å; L62-R69 PolarHBondContact O-NH1 2.74Å; L62-R310 HydrophobicContact CD1-CB 4.28Å; L62-R310 HydrophobicContact CD1-CG 3.95Å |
| 63 | D | 89.1 | Confident | 94.3 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 21% | 0.209 | 20% | 0.204 | C | C | . | . | trans | -78.9 | -180 | 168.7 | 65.2 | 23.3 | 0 | 0 | 0 | 112.3 | D65 G66 N67 | D63-D65 PolarHBondContact O-N 2.91Å; D63-D65 PolarHBondContact OD1-N 3.45Å; D63-D65 VanDerWaalsContact OD1-N 3.12Å; D63-G66 PolarHBondContact O-N 3.03Å; D63-G66 PolarHBondContact OD1-N 3.2Å; D63-G66 VanDerWaalsContact OD1-N 3.15Å; D63-N67 PolarHBondContact N-O 2.94Å; D63-N67 WeakPolarHBondContact OD1-CA 3.48Å; D63-N67 WeakPolarHBondContact OD1-CB 3.24Å; D63-N67 PolarHBondContact OD1-N 2.9Å | ||
| 64 | E | 86.4 | Confident | 94.4 | Very high | 199 Ų | 199 | 40 Ų | 40 | 93% | 0.93 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -26.2 | -177.5 | -63.4 | -179.7 | -175.7 | 0 | 0 | 112.3 | G66 | E64-G66 VanDerWaalsContact C-N 3.29Š|
| 65 | D | 89.1 | Confident | 94.4 | Very high | 136 Ų | 136 | 43.2 Ų | 43.2 | 73% | 0.727 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0.6 | 176.7 | -61.2 | -46.8 | 0 | 0 | 0 | 112.4 | D63 N67 | D63-D65 PolarHBondContact O-N 2.91Å; D63-D65 PolarHBondContact OD1-N 3.45Å; D63-D65 VanDerWaalsContact OD1-N 3.12Å; D65-N67 WeakPolarHBondContact CB-ND2 3.26Å |
| 66 | G | 90.1 | Very high | 94.6 | Very high | 28 Ų | 28 | 42 Ų | 42 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 79.5 | 15.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D63 E64 | D63-G66 PolarHBondContact O-N 3.03Å; D63-G66 PolarHBondContact OD1-N 3.2Å; D63-G66 VanDerWaalsContact OD1-N 3.15Å; E64-G66 VanDerWaalsContact C-N 3.29Å |
| 67 | N | 93.1 | Very high | 94.7 | Very high | 94 Ų | 94 | 42 Ų | 42 | 50% | 0.503 | 22% | 0.223 | S | C | . | . | trans | -94.2 | 150.5 | 178.8 | -59.2 | -60.3 | 0 | 0 | 0 | 111.9 | L62 D63 D65 | L62-N67 CarbonylContact C-O 3.6Å; L62-N67 VanDerWaalsContact CA-O 3.32Å; L62-N67 WeakPolarHBondContact CA-O 3.36Å; D63-N67 PolarHBondContact N-O 2.94Å; D63-N67 WeakPolarHBondContact OD1-CA 3.48Å; D63-N67 WeakPolarHBondContact OD1-CB 3.24Å; D63-N67 PolarHBondContact OD1-N 2.9Å; D65-N67 WeakPolarHBondContact CB-ND2 3.26Å | ||
| 68 | S | 94.9 | Very high | 94.8 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -75.3 | 137.8 | 173.3 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | A70 R74 | S68-A70 VanDerWaalsContact C-N 3.27Å; S68-A70 VanDerWaalsContact OG-C 3.3Å; S68-A70 PolarHBondContact OG-N 3.2Å; S68-A70 PolarHBondContact OG-O 2.76Å; S68-A70 VanDerWaalsContact OG-O 3.06Å; S68-R74 VanDerWaalsContact CB-CD 3.49Å |
| 69 | R | 94.3 | Very high | 95 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 9% | 0.087 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -73.8 | -22.4 | 169.7 | -64.5 | 176.5 | -178.7 | 84.3 | 3.3 | 112.7 | E61 L62 P71 I231 K232 | E61-R69 PolarHBondContact O-NH1 2.72Å; L62-R69 VanDerWaalsContact C-NH1 3.29Å; L62-R69 PolarHBondContact O-NH1 2.74Å; R69-P71 VanDerWaalsContact C-CD 3.49Å; R69-P71 WeakPolarHBondContact O-CD 3.45Å; R69-I231 HydrophobicContact CB-CG2 4.31Å; R69-K232 WeakPolarHBondContact O-CA 3.5Å; R69-K232 WeakPolarHBondContact O-CG 3.26Å |
| 70 | A | 97.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -124 | 74 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109 | L59 S68 F72 I73 R74 I231 D235 | L59-A70 HydrophobicContact CD1-CB 3.43Å; L59-A70 VanDerWaalsContact CD1-CB 3.43Å; L59-A70 HydrophobicContact CG-CB 4.45Å; S68-A70 VanDerWaalsContact C-N 3.27Å; S68-A70 VanDerWaalsContact OG-C 3.3Å; S68-A70 PolarHBondContact OG-N 3.2Å; S68-A70 PolarHBondContact OG-O 2.76Å; S68-A70 VanDerWaalsContact OG-O 3.06Å; A70-F72 VanDerWaalsContact C-N 3.33Å; A70-F72 PolarHBondContact O-N 3.28Å; A70-I73 HydrophobicContact CB-CB 4.11Å; A70-R74 VanDerWaalsContact O-CB 3.26Å; A70-R74 WeakPolarHBondContact O-CB 3.49Å; A70-R74 PolarHBondContact O-N 3.41Å; A70-I231 HydrophobicContact CB-CG2 4.31Å; A70-D235 VanDerWaalsContact C-CG 3.49Å; A70-D235 VanDerWaalsContact C-OD1 3.27Å; A70-D235 WeakPolarHBondContact CA-OD1 3.45Å; A70-D235 HydrophobicContact CB-CB 3.96Å; A70-D235 WeakPolarHBondContact CB-OD1 3.47Å |
| 71 | P | 97.8 | Very high | 94.9 | Very high | 72 Ų | 72 | 51.1 Ų | 51.1 | 47% | 0.468 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.2 | -35.6 | -176 | 23.9 | -34.4 | 0 | 0 | 0 | 113.2 | R69 N75 D235 | R69-P71 VanDerWaalsContact C-CD 3.49Å; R69-P71 WeakPolarHBondContact O-CD 3.45Å; P71-N75 VanDerWaalsContact O-CB 3.26Å; P71-N75 WeakPolarHBondContact O-CB 3.45Å; P71-N75 PolarHBondContact O-N 3.46Å; P71-D235 WeakPolarHBondContact CD-OD2 3.36Å; P71-D235 WeakPolarHBondContact CG-OD2 3.26Å |
| 72 | F | 98.6 | Very high | 95.1 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.6 | -51.5 | 176.7 | 172.1 | -100.4 | 0 | 0 | 0 | 111.5 | A70 R74 N75 V76 D235 V238 K239 V242 W286 | A70-F72 VanDerWaalsContact C-N 3.33Å; A70-F72 PolarHBondContact O-N 3.28Å; F72-R74 VanDerWaalsContact C-N 3.31Å; F72-R74 PolarHBondContact O-N 3.43Å; F72-N75 WeakPolarHBondContact O-CA 3.25Å; F72-N75 WeakPolarHBondContact O-CB 3.41Å; F72-N75 PolarHBondContact O-N 2.97Å; F72-N75 VanDerWaalsContact O-N 3.09Å; F72-V76 HydrophobicContact CD1-CG2 4.46Å; F72-V76 HydrophobicContact CE1-CG2 3.97Å; F72-V76 HydrophobicContact CE2-CG2 4.22Å; F72-V76 HydrophobicContact CZ-CG2 3.84Å; F72-V76 WeakPolarHBondContact O-CG2 3.4Å; F72-V76 PolarHBondContact O-N 2.93Å; F72-D235 WeakPolarHBondContact CB-OD1 3.48Å; F72-D235 VanDerWaalsContact CB-OD2 3.3Å; F72-D235 WeakPolarHBondContact CB-OD2 3.46Å; F72-D235 PolarHBondContact N-OD1 3.16Å; F72-D235 PolarHBondContact N-OD2 2.93Å; F72-V238 HydrophobicContact CD1-CG1 4.18Å; F72-V238 HydrophobicContact CE1-CG1 3.85Å; F72-K239 HydrophobicContact CB-CB 3.97Å; F72-K239 HydrophobicContact CB-CD 4.26Å; F72-K239 HydrophobicContact CB-CG 4.37Å; F72-K239 HydrophobicContact CD1-CB 4.01Å; F72-K239 HydrophobicContact CD2-CB 3.71Å; F72-K239 HydrophobicContact CD2-CD 4.06Å; F72-K239 HydrophobicContact CD2-CG 3.57Å; F72-K239 HydrophobicContact CE1-CB 4.48Å; F72-K239 HydrophobicContact CE2-CB 4.19Å; F72-K239 HydrophobicContact CE2-CG 4.02Å; F72-K239 HydrophobicContact CG-CB 3.6Å; F72-K239 HydrophobicContact CG-CD 4.37Å; F72-K239 HydrophobicContact CG-CG 3.99Å; F72-V242 HydrophobicContact CE1-CG2 4.21Å; F72-V242 HydrophobicContact CZ-CB 4.12Å; F72-V242 HydrophobicContact CZ-CG1 4.13Å; F72-V242 HydrophobicContact CZ-CG2 4.02Å; F72-W286 HydrophobicContact CE1-CZ2 4.24Å |
| 73 | I | 98.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 177.9 | -65.7 | -61.9 | 0 | 0 | 0 | 110.8 | L59 A70 N75 V76 I77 D235 V238 F259 V284 W286 | L59-I73 HydrophobicContact CD2-CG2 4.27Å; A70-I73 HydrophobicContact CB-CB 4.11Å; I73-N75 VanDerWaalsContact C-N 3.31Å; I73-N75 PolarHBondContact O-N 3.31Å; I73-V76 WeakPolarHBondContact O-CB 3.43Å; I73-V76 PolarHBondContact O-N 2.9Å; I73-V76 VanDerWaalsContact O-N 3.16Å; I73-I77 HydrophobicContact CG2-CD1 4.29Å; I73-I77 WeakPolarHBondContact O-CG1 3.41Å; I73-I77 PolarHBondContact O-N 2.92Å; I73-D235 VanDerWaalsContact CG1-OD1 3.32Å; I73-D235 WeakPolarHBondContact CG1-OD1 3.46Å; I73-D235 PolarHBondContact N-OD1 2.81Å; I73-V238 HydrophobicContact CD1-CG1 4.21Å; I73-F259 HydrophobicContact CD1-CB 4.08Å; I73-F259 HydrophobicContact CD1-CD1 4.1Å; I73-F259 HydrophobicContact CD1-CD2 4.1Å; I73-F259 HydrophobicContact CD1-CG 3.82Å; I73-F259 HydrophobicContact CG1-CD1 4.37Å; I73-F259 HydrophobicContact CG1-CE1 4.46Å; I73-F259 HydrophobicContact CG1-CG 4.49Å; I73-V284 HydrophobicContact CG2-CB 4.29Å; I73-V284 HydrophobicContact CG2-CG1 4.32Å; I73-V284 HydrophobicContact CG2-CG2 3.81Å; I73-W286 HydrophobicContact CD1-CH2 4.21Å; I73-W286 HydrophobicContact CD1-CZ3 4.42Å |
| 74 | R | 97.8 | Very high | 95.8 | Very high | 36 Ų | 36 | 45.3 Ų | 45.3 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.6 | -40.2 | 174.7 | -170.5 | 175.9 | -174 | 93.7 | 3.3 | 111.9 | Y60 S68 A70 F72 V76 I77 M78 W309 R310 | Y60-R74 PolarHBondContact O-NH1 3.37Å; S68-R74 VanDerWaalsContact CB-CD 3.49Å; A70-R74 VanDerWaalsContact O-CB 3.26Å; A70-R74 WeakPolarHBondContact O-CB 3.49Å; A70-R74 PolarHBondContact O-N 3.41Å; F72-R74 VanDerWaalsContact C-N 3.31Å; F72-R74 PolarHBondContact O-N 3.43Å; R74-V76 VanDerWaalsContact C-N 3.33Å; R74-V76 PolarHBondContact O-N 3.02Å; R74-I77 WeakPolarHBondContact O-CB 3.5Å; R74-I77 PolarHBondContact O-N 3.27Å; R74-M78 HydrophobicContact CG-SD 4.06Å; R74-M78 WeakPolarHBondContact O-CG 3.27Å; R74-M78 PolarHBondContact O-N 3.41Å; R74-M78 VanDerWaalsContact O-N 3.07Å; R74-W309 PolarHBondContact NH1-O 2.97Å; R74-W309 PolarHBondContact NH2-O 3.19Å; R74-R310 PolarHBondContact NH2-O 2.86Å |
| 75 | N | 98.3 | Very high | 96.3 | Very high | 66 Ų | 66 | 35.9 Ų | 35.9 | 35% | 0.353 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 174.8 | -176.8 | 67.2 | 0 | 0 | 0 | 112 | P71 F72 I73 M78 H79 | P71-N75 VanDerWaalsContact O-CB 3.26Å; P71-N75 WeakPolarHBondContact O-CB 3.45Å; P71-N75 PolarHBondContact O-N 3.46Å; F72-N75 WeakPolarHBondContact O-CA 3.25Å; F72-N75 WeakPolarHBondContact O-CB 3.41Å; F72-N75 PolarHBondContact O-N 2.97Å; F72-N75 VanDerWaalsContact O-N 3.09Å; I73-N75 VanDerWaalsContact C-N 3.31Å; I73-N75 PolarHBondContact O-N 3.31Å; N75-M78 PolarHBondContact O-N 3.27Å; N75-H79 PolarHBondContact O-N 2.86Å; N75-H79 PolarHBondContact O-ND1 2.93Å; N75-H79 VanDerWaalsContact O-ND1 3.11Å; N75-H79 PolarHBondContact OD1-CE1 3.28Å; N75-H79 PolarHBondContact OD1-ND1 3.47Å |
| 76 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.1 | -48.4 | 174 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | 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 4.22Å; F72-V76 HydrophobicContact CZ-CG2 3.84Å; F72-V76 WeakPolarHBondContact O-CG2 3.4Å; F72-V76 PolarHBondContact O-N 2.93Å; I73-V76 WeakPolarHBondContact O-CB 3.43Å; I73-V76 PolarHBondContact O-N 2.9Å; I73-V76 VanDerWaalsContact O-N 3.16Å; R74-V76 VanDerWaalsContact C-N 3.33Å; R74-V76 PolarHBondContact O-N 3.02Å; V76-M78 PolarHBondContact O-N 3.07Å; V76-H79 PolarHBondContact O-N 3.21Å; V76-E80 HydrophobicContact CG1-CB 4.48Å; V76-E80 PolarHBondContact O-N 2.92Å; V76-G81 PolarHBondContact O-N 3.37Å; V76-V284 HydrophobicContact CG1-CG1 3.89Å; V76-W286 HydrophobicContact CG1-CB 3.71Å; V76-W286 HydrophobicContact CG1-CD2 3.56Å; V76-W286 HydrophobicContact CG1-CE3 3.6Å; V76-W286 HydrophobicContact CG1-CG 3.62Å; V76-W286 HydrophobicContact CG1-CZ3 4.41Å; V76-W286 HydrophobicContact CG2-CD2 4.37Å |
| 77 | I | 98 | Very high | 97.1 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.7 | -42.5 | 177.3 | -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 3.65Å; I73-I77 HydrophobicContact CG2-CD1 4.29Å; I73-I77 WeakPolarHBondContact O-CG1 3.41Å; I73-I77 PolarHBondContact O-N 2.92Å; R74-I77 WeakPolarHBondContact O-CB 3.5Å; R74-I77 PolarHBondContact O-N 3.27Å; I77-W83 HydrophobicContact CB-CB 4.5Å; I77-W83 HydrophobicContact CB-CG 4.48Å; I77-W83 HydrophobicContact CD1-CB 4.35Å; I77-W83 HydrophobicContact CG1-CB 3.86Å; I77-W83 HydrophobicContact CG1-CG 4.24Å; I77-W83 HydrophobicContact CG2-CB 4.13Å; I77-W83 HydrophobicContact CG2-CD2 4.05Å; I77-W83 HydrophobicContact CG2-CG 3.62Å; I77-V284 HydrophobicContact CD1-CG2 3.9Å; I77-V284 HydrophobicContact CG1-CG1 3.83Å; I77-V284 HydrophobicContact CG1-CG2 3.92Å; I77-P293 WeakPolarHBondContact O-CB 3.2Å; I77-P293 WeakPolarHBondContact O-CG 3.47Å; I77-L311 HydrophobicContact CG2-CD1 4.47Å; I77-L311 HydrophobicContact CG2-CD2 4.1Å |
| 78 | M | 96.9 | Very high | 97 | Very high | 56 Ų | 56 | 27 Ų | 27 | 28% | 0.276 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -79.5 | -28.7 | -172.4 | -70 | 175.4 | 67.6 | 0 | 0 | 113.8 | R74 N75 V76 W314 | R74-M78 HydrophobicContact CG-SD 4.06Å; R74-M78 WeakPolarHBondContact O-CG 3.27Å; R74-M78 PolarHBondContact O-N 3.41Å; R74-M78 VanDerWaalsContact O-N 3.07Å; N75-M78 PolarHBondContact O-N 3.27Å; V76-M78 PolarHBondContact O-N 3.07Å; M78-W314 HydrophobicContact CB-CZ2 4.27Å; M78-W314 HydrophobicContact CE-CH2 3.69Å; M78-W314 HydrophobicContact CE-CZ2 3.52Å; M78-W314 HydrophobicContact CG-CD2 4.4Å; M78-W314 HydrophobicContact CG-CH2 4.44Å; M78-W314 HydrophobicContact CG-CZ2 3.89Å; M78-W314 PolarHBondContact O-NE1 2.92Å; M78-W314 HydrophobicContact SD-CZ2 4.45Å |
| 79 | H | 97.2 | Very high | 96.5 | Very high | 111 Ų | 111 | 30.6 Ų | 30.6 | 51% | 0.514 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -127.8 | -27.4 | -166.5 | -55.6 | 104.4 | 0 | 0 | 0 | 115.6 | N75 V76 P293 | N75-H79 PolarHBondContact O-N 2.86Å; N75-H79 PolarHBondContact O-ND1 2.93Å; N75-H79 VanDerWaalsContact O-ND1 3.11Å; N75-H79 PolarHBondContact OD1-CE1 3.28Å; N75-H79 PolarHBondContact OD1-ND1 3.47Å; V76-H79 PolarHBondContact O-N 3.21Å; H79-P293 VanDerWaalsContact C-CG 3.47Å |
| 80 | E | 95.6 | Very high | 95.7 | Very high | 66 Ų | 66 | 31.5 Ų | 31.5 | 31% | 0.308 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | -37.6 | -168.3 | -64.1 | -174.2 | -158.4 | 0 | 0 | 113.8 | V76 K246 | V76-E80 HydrophobicContact CG1-CB 4.48Å; V76-E80 PolarHBondContact O-N 2.92Å; E80-K246 IonicContact OE2-NZ 3.52Å |
| 81 | G | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -112.1 | -177.7 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | V76 T285 K291 P293 | V76-G81 PolarHBondContact O-N 3.37Å; G81-T285 CarbonylContact C-O 3.58Å; G81-T285 WeakPolarHBondContact CA-O 3.41Å; G81-K291 CarbonylContact C-O 3.53Å; G81-P293 WeakPolarHBondContact O-CA 3.41Å; G81-P293 VanDerWaalsContact O-CD 3.31Å; G81-P293 WeakPolarHBondContact O-CD 3.11Å; G81-P293 VanDerWaalsContact O-CG 3.26Å; G81-P293 WeakPolarHBondContact O-CG 3.44Å | ||
| 82 | S | 97.6 | Very high | 94.3 | Very high | 5 Ų | 5 | 29 Ų | 29 | 4% | 0.035 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 150.6 | 166.1 | -76.1 | 0 | 0 | 0 | 0 | 109.3 | T285 K291 R317 Y348 | S82-T285 PolarHBondContact N-O 2.94Å; S82-T285 PolarHBondContact O-N 3.47Å; S82-K291 PolarHBondContact OG-O 2.89Å; S82-R317 PolarHBondContact OG-NH1 3.32Å; S82-Y348 VanDerWaalsContact CB-CE1 3.42Å |
| 83 | W | 97.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 2% | 0.015 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 161.8 | -170.8 | 79.3 | -76.1 | 0 | 0 | 0 | 113 | Y60 I77 F283 V284 L306 W309 L311 W314 K315 R316 R317 Y348 | Y60-W83 HydrophobicContact CD2-CZ3 4.37Å; Y60-W83 HydrophobicContact CE1-CE3 4.23Å; Y60-W83 HydrophobicContact CE2-CE3 4.28Å; Y60-W83 HydrophobicContact CE2-CZ3 4.19Å; Y60-W83 AromaticContact CZ-CE3 3.98Å; I77-W83 HydrophobicContact CB-CB 4.5Å; I77-W83 HydrophobicContact CB-CG 4.48Å; I77-W83 HydrophobicContact CD1-CB 4.35Å; I77-W83 HydrophobicContact CG1-CB 3.86Å; I77-W83 HydrophobicContact CG1-CG 4.24Å; I77-W83 HydrophobicContact CG2-CB 4.13Å; I77-W83 HydrophobicContact CG2-CD2 4.05Å; I77-W83 HydrophobicContact CG2-CG 3.62Å; W83-F283 CarbonylContact C-O 3.31Å; W83-F283 VanDerWaalsContact CA-O 3.29Å; W83-F283 WeakPolarHBondContact CA-O 3.34Å; W83-V284 HydrophobicContact CB-CG2 4.32Å; W83-L306 HydrophobicContact CH2-CD2 3.83Å; W83-L306 HydrophobicContact CZ2-CD2 4.13Å; W83-W309 HydrophobicContact CH2-CE3 4.09Å; W83-W309 HydrophobicContact CH2-CZ3 4.4Å; W83-W309 AromaticContact CZ3-CE3 3.98Å; W83-W309 HydrophobicContact CZ3-CE3 3.98Å; W83-W309 HydrophobicContact CZ3-CZ3 4.05Å; W83-L311 HydrophobicContact CE3-CD1 4.26Å; W83-L311 HydrophobicContact CH2-CB 3.74Å; W83-L311 HydrophobicContact CH2-CD1 3.73Å; W83-L311 HydrophobicContact CH2-CG 4.4Å; W83-L311 HydrophobicContact CZ2-CB 3.63Å; W83-L311 HydrophobicContact CZ2-CD1 4.01Å; W83-L311 HydrophobicContact CZ2-CG 4.4Å; W83-L311 HydrophobicContact CZ3-CD1 3.86Å; W83-W314 WeakPolarHBondContact CZ2-O 3.25Å; W83-W314 PolarHBondContact NE1-O 2.9Å; W83-K315 PolarHBondContact NE1-O 3.14Å; W83-R316 HydrophobicContact CH2-CB 4.04Å; W83-R316 HydrophobicContact CH2-CG 4.15Å; W83-R316 HydrophobicContact CZ2-CB 3.81Å; W83-R316 HydrophobicContact CZ2-CG 4.37Å; W83-R316 HydrophobicContact CZ3-CG 4.34Å; W83-R317 PolarHBondContact O-N 3.33Å; W83-Y348 VanDerWaalsContact C-OH 3.32Å; W83-Y348 PolarHBondContact O-OH 2.8Å |
| 84 | G | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | -157.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y60 F283 R317 | Y60-G84 PolarHBondContact OH-O 2.94Å; G84-F283 PolarHBondContact N-O 3.3Å; G84-F283 PolarHBondContact O-N 3.36Å; G84-R317 WeakPolarHBondContact CA-O 3.37Å |
| 85 | V | 97.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.9 | 179.2 | 179.2 | 0 | 0 | 0 | 0 | 110 | A56 L280 T281 W309 D318 V319 | A56-V85 HydrophobicContact CB-CG2 4.42Å; V85-L280 HydrophobicContact CG1-CB 3.8Å; V85-L280 HydrophobicContact CG1-CD2 3.81Å; V85-L280 HydrophobicContact CG1-CG 4.33Å; V85-T281 WeakPolarHBondContact CA-O 3.1Å; V85-W309 HydrophobicContact CG2-CH2 3.85Å; V85-W309 HydrophobicContact CG2-CZ3 4.11Å; V85-D318 PolarHBondContact N-OD1 2.86Å; V85-D318 VanDerWaalsContact O-CA 3.26Å; V85-D318 WeakPolarHBondContact O-CA 3.44Å; V85-D318 WeakPolarHBondContact O-CB 3.37Å; V85-V319 PolarHBondContact O-N 2.93Å |
| 86 | S | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 125.5 | 166.9 | 159 | 0 | 0 | 0 | 0 | 109.2 | T281 V319 | S86-T281 VanDerWaalsContact CB-OG1 3.26Å; S86-T281 WeakPolarHBondContact CB-OG1 3.47Å; S86-T281 PolarHBondContact N-O 3.4Å; S86-T281 PolarHBondContact O-N 3.13Å; S86-T281 PolarHBondContact O-OG1 3.16Å; S86-T281 VanDerWaalsContact O-OG1 3.13Å; S86-T281 PolarHBondContact OG-OG1 2.95Å; S86-T281 VanDerWaalsContact OG-OG1 3.13Å; S86-V319 WeakPolarHBondContact CA-O 3.47Å |
| 87 | H | 96.6 | Very high | 92 | Very high | 61 Ų | 61 | 28 Ų | 28 | 28% | 0.282 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 103.7 | 178.7 | -65 | -94.7 | 0 | 0 | 0 | 109.6 | L280 D318 V319 Q321 | H87-L280 VanDerWaalsContact CE1-CD2 3.43Å; H87-L280 WeakPolarHBondContact CE1-CD2 3.2Å; H87-L280 WeakPolarHBondContact ND1-CD2 3.49Å; H87-D318 IonicContact CD2-OD2 3.93Å; H87-D318 IonicContact CE1-OD2 2.67Å; H87-D318 IonicContact NE2-OD2 3.56Å; H87-D318 PolarHBondContact NE2-OD2 2.84Å; H87-V319 PolarHBondContact CD2-O 2.9Å; H87-V319 PolarHBondContact N-O 3.17Å; H87-Q321 PolarHBondContact O-N 3.39Å |
| 88 | T | 91.7 | Very high | 91.9 | Very high | 10 Ų | 10 | 28 Ų | 28 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | trans | -82.6 | 163.6 | 172.5 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | T92 D262 H263 E278 T279 T281 Q321 | T88-T92 HydrophobicContact CG2-CG2 3.85Å; T88-D262 PolarHBondContact OG1-O 2.93Å; T88-H263 HydrophobicContact CG2-CB 4.39Å; T88-E278 WeakPolarHBondContact CG2-O 3.47Å; T88-T279 VanDerWaalsContact CG2-CA 3.48Å; T88-T279 WeakPolarHBondContact CG2-O 3.45Å; T88-T279 PolarHBondContact N-O 3.27Å; T88-T281 HydrophobicContact CG2-CG2 4.46Å; T88-Q321 PolarHBondContact OG1-OE1 3.15Å | ||
| 89 | R | 84.6 | Confident | 91.7 | Very high | 100 Ų | 100 | 25.3 Ų | 25.3 | 38% | 0.377 | 12% | 0.122 | S | C | . | . | trans | -115.5 | 161.8 | -178.3 | -65.9 | -169.6 | -174.4 | 175 | 3.1 | 111.3 | P91 T92 Y106 | R89-P91 CarbonylContact O-C 3.52Å; R89-P91 VanDerWaalsContact O-C 3.31Å; R89-T92 WeakPolarHBondContact O-CG2 3.42Å; R89-T92 PolarHBondContact O-N 2.96Å; R89-Y106 HydrophobicContact CB-CD1 3.8Å; R89-Y106 HydrophobicContact CB-CE1 3.91Å; R89-Y106 HydrophobicContact CG-CD1 3.85Å; R89-Y106 HydrophobicContact CG-CE1 3.55Å; R89-Y106 HydrophobicContact CG-CG 4.42Å; R89-Y106 VanDerWaalsContact NH1-CD2 3.35Å | ||
| 90 | V | 76.9 | Confident | 91.7 | Very high | 43 Ų | 43 | 20 Ų | 20 | 26% | 0.261 | 10% | 0.098 | S | C | . | . | S | Bend | trans | -78.6 | 136.1 | 176 | -141.3 | 0 | 0 | 0 | 0 | 109 | I809 | V90-I809 HydrophobicContact CG2-CD1 3.98Š|
| 91 | P | 81.8 | Confident | 91.8 | Very high | 21 Ų | 21 | 16.9 Ų | 16.9 | 14% | 0.136 | 8% | 0.083 | C | C | . | . | S | Bend | cis | -76.1 | 127.1 | 1.3 | 30.8 | -32.8 | 0 | 0 | 0 | 112.8 | R89 E93 P96 | R89-P91 CarbonylContact O-C 3.52Å; R89-P91 VanDerWaalsContact O-C 3.31Å; P91-E93 HydrophobicContact CB-CG 3.97Å; P91-E93 PolarHBondContact O-N 3.3Å; P91-P96 HydrophobicContact CG-CG 4.02Å |
| 92 | T | 83.5 | Confident | 91.8 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -79.4 | 66 | 175.2 | 62.7 | 0 | 0 | 0 | 0 | 109.5 | T88 R89 H271 G272 A273 E278 T279 | T88-T92 HydrophobicContact CG2-CG2 3.85Å; R89-T92 WeakPolarHBondContact O-CG2 3.42Å; R89-T92 PolarHBondContact O-N 2.96Å; T92-H271 PolarHBondContact O-ND1 3.39Å; T92-G272 PolarHBondContact O-N 2.98Å; T92-G272 VanDerWaalsContact OG1-CA 3.31Å; T92-G272 WeakPolarHBondContact OG1-CA 3.09Å; T92-G272 PolarHBondContact OG1-N 3.45Å; T92-A273 VanDerWaalsContact CG2-O 3.24Å; T92-A273 WeakPolarHBondContact CG2-O 3.23Å; T92-A273 PolarHBondContact OG1-N 2.99Å; T92-A273 PolarHBondContact OG1-O 2.99Å; T92-E278 HydrophobicContact CG2-CB 4.21Å; T92-T279 HydrophobicContact CG2-CG2 3.78Å | ||
| 93 | E | 86.1 | Confident | 91.7 | Very high | 52 Ų | 52 | 16.6 Ų | 16.6 | 24% | 0.243 | 8% | 0.081 | C | C | . | . | trans | -113.3 | 154.9 | 176.9 | -61.5 | -76.4 | 167.6 | 0 | 0 | 107.9 | P91 R95 P96 G97 H263 H271 G272 | P91-E93 HydrophobicContact CB-CG 3.97Å; P91-E93 PolarHBondContact O-N 3.3Å; E93-R95 VanDerWaalsContact C-N 3.34Å; E93-R95 PolarHBondContact O-N 3.18Å; E93-P96 HydrophobicContact CB-CG 4.21Å; E93-P96 WeakPolarHBondContact O-CD 3.26Å; E93-G97 PolarHBondContact O-N 2.84Å; E93-G97 VanDerWaalsContact O-N 3.13Å; E93-H263 VanDerWaalsContact C-CD2 3.48Å; E93-H271 IonicContact OE2-CE1 2.68Å; E93-H271 PolarHBondContact OE2-CE1 3.32Å; E93-H271 IonicContact OE2-ND1 3.51Å; E93-G272 WeakPolarHBondContact OE1-CA 3.26Å | ||
| 94 | S | 88.2 | Confident | 91.6 | Very high | 22 Ų | 22 | 16.4 Ų | 16.4 | 15% | 0.154 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | -168.3 | -43.2 | 0 | 0 | 0 | 0 | 112.8 | D52 G97 H98 D262 H263 | D52-S94 PolarHBondContact OD1-OG 3.32Å; D52-S94 WeakPolarHBondContact OD2-CB 3.33Å; D52-S94 PolarHBondContact OD2-OG 2.82Å; S94-G97 PolarHBondContact O-N 2.91Å; S94-H98 PolarHBondContact O-N 2.68Å; S94-H98 PolarHBondContact O-ND1 3.3Å; S94-D262 WeakPolarHBondContact CA-OD2 3.27Å; S94-D262 VanDerWaalsContact CB-OD2 3.26Å; S94-D262 WeakPolarHBondContact CB-OD2 3.42Å; S94-H263 PolarHBondContact N-CD2 3.47Å; S94-H263 PolarHBondContact N-NE2 3.42Å; S94-H263 PolarHBondContact OG-NE2 2.95Å; S94-H263 VanDerWaalsContact OG-NE2 3.14Å |
| 95 | R | 87.6 | Confident | 91.4 | Very high | 23 Ų | 23 | 16.7 Ų | 16.7 | 9% | 0.087 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.2 | -58.1 | 179.9 | -178 | -163.6 | 89 | -172 | 16.7 | 113 | E93 G97 H98 V99 E107 A111 G115 W116 M144 | E93-R95 VanDerWaalsContact C-N 3.34Å; E93-R95 PolarHBondContact O-N 3.18Å; R95-G97 VanDerWaalsContact C-N 3.25Å; R95-G97 PolarHBondContact O-N 3.06Å; R95-H98 PolarHBondContact O-N 2.88Å; R95-V99 WeakPolarHBondContact O-CG2 3.47Å; R95-V99 PolarHBondContact O-N 2.91Å; R95-E107 WeakPolarHBondContact CG-OE2 3.23Å; R95-E107 IonicContact CZ-OE1 3.64Å; R95-E107 IonicContact CZ-OE2 2.85Å; R95-E107 IonicContact NE-OE1 3.39Å; R95-E107 PolarHBondContact NE-OE1 3.32Å; R95-E107 IonicContact NE-OE2 2.6Å; R95-E107 PolarHBondContact NE-OE2 2.96Å; R95-E107 IonicContact NH2-OE1 3.84Å; R95-E107 PolarHBondContact NH2-OE1 2.92Å; R95-E107 IonicContact NH2-OE2 3.76Å; R95-A111 PolarHBondContact NH2-O 2.92Å; R95-A111 VanDerWaalsContact NH2-O 3.11Å; R95-G115 PolarHBondContact NH1-O 3.02Å; R95-W116 PolarHBondContact NH1-O 3.48Å; R95-M144 HydrophobicContact CB-CE 4.28Å; R95-M144 HydrophobicContact CG-CE 3.82Å; R95-M144 HydrophobicContact CG-SD 3.62Å |
| 96 | P | 89.2 | Confident | 91 | Very high | 12 Ų | 12 | 18.3 Ų | 18.3 | 8% | 0.078 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -52.7 | -39.5 | 174.4 | -28.8 | 32.4 | 0 | 0 | 0 | 114.3 | P91 E93 V99 A100 E107 | P91-P96 HydrophobicContact CG-CG 4.02Å; E93-P96 HydrophobicContact CB-CG 4.21Å; E93-P96 WeakPolarHBondContact O-CD 3.26Å; P96-V99 PolarHBondContact O-N 2.82Å; P96-A100 PolarHBondContact O-N 2.83Å; P96-E107 WeakPolarHBondContact CA-OE2 3.44Å; P96-E107 HydrophobicContact CB-CB 4.31Å; P96-E107 HydrophobicContact CG-CB 4.47Å |
| 97 | G | 93.4 | Very high | 90 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.5 | -45 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E93 S94 R95 A100 L101 | E93-G97 PolarHBondContact O-N 2.84Å; E93-G97 VanDerWaalsContact O-N 3.13Å; S94-G97 PolarHBondContact O-N 2.91Å; R95-G97 VanDerWaalsContact C-N 3.25Å; R95-G97 PolarHBondContact O-N 3.06Å; G97-A100 PolarHBondContact O-N 3.21Å; G97-L101 VanDerWaalsContact O-CG 3.31Å; G97-L101 WeakPolarHBondContact O-CG 3.33Å; G97-L101 PolarHBondContact O-N 3.31Å |
| 98 | H | 95.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65 | -39.9 | 175.5 | -76.8 | 88.3 | 0 | 0 | 0 | 112.9 | V50 S94 R95 A100 L101 I102 I141 M144 F145 F207 H209 D262 | V50-H98 WeakPolarHBondContact CG1-NE2 3.01Å; S94-H98 PolarHBondContact O-N 2.68Å; S94-H98 PolarHBondContact O-ND1 3.3Å; R95-H98 PolarHBondContact O-N 2.88Å; H98-A100 VanDerWaalsContact C-N 3.33Å; H98-A100 PolarHBondContact O-N 3.37Å; H98-L101 PolarHBondContact O-N 3Å; H98-I102 WeakPolarHBondContact O-CB 3.48Å; H98-I102 PolarHBondContact O-N 3.02Å; H98-I141 HydrophobicContact CB-CG2 4.33Å; H98-M144 HydrophobicContact CB-CE 4.28Å; H98-F145 HydrophobicContact CB-CE2 4.01Å; H98-F145 HydrophobicContact CB-CZ 3.94Å; H98-F207 AromaticContact CD2-CZ 3.69Å; H98-F207 AromaticContact NE2-CZ 3.9Å; H98-H209 AromaticContact CE1-CD2 3.43Å; H98-H209 PolarHBondContact CE1-CD2 2.89Å; H98-H209 VanDerWaalsContact CE1-CD2 3.43Å; H98-H209 AromaticContact CE1-NE2 3.34Å; H98-H209 PolarHBondContact CE1-NE2 3.05Å; H98-H209 VanDerWaalsContact CE1-NE2 3.34Å; H98-H209 AromaticContact NE2-CD2 3.07Å; H98-H209 PolarHBondContact NE2-CD2 2.91Å; H98-H209 AromaticContact NE2-NE2 3.53Å; H98-D262 IonicContact CE1-OD2 3.06Å; H98-D262 PolarHBondContact CE1-OD2 2.88Å; H98-D262 IonicContact ND1-OD2 2.66Å; H98-D262 PolarHBondContact ND1-OD2 3.28Å |
| 99 | V | 93.9 | Very high | 87.1 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 175.3 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | R95 P96 L101 A103 G104 F105 E107 F123 M144 F145 | R95-V99 WeakPolarHBondContact O-CG2 3.47Å; R95-V99 PolarHBondContact O-N 2.91Å; P96-V99 PolarHBondContact O-N 2.82Å; V99-L101 PolarHBondContact O-N 2.94Å; V99-A103 HydrophobicContact CG1-CB 4.24Å; V99-A103 CarbonylContact O-C 3.59Å; V99-A103 WeakPolarHBondContact O-CA 3.18Å; V99-A103 VanDerWaalsContact O-CB 3.32Å; V99-A103 WeakPolarHBondContact O-CB 3.38Å; V99-A103 PolarHBondContact O-N 2.86Å; V99-G104 PolarHBondContact O-N 2.89Å; V99-F105 HydrophobicContact CG1-CD1 4.01Å; V99-F105 HydrophobicContact CG1-CD2 4.17Å; V99-F105 HydrophobicContact CG1-CE1 3.46Å; V99-F105 VanDerWaalsContact CG1-CE1 3.46Å; V99-F105 HydrophobicContact CG1-CE2 3.64Å; V99-F105 HydrophobicContact CG1-CG 4.33Å; 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 4.22Å; V99-F123 HydrophobicContact CG1-CE2 4.37Å; V99-F123 HydrophobicContact CG1-CZ 4.37Å; V99-F123 HydrophobicContact CG2-CE1 4.33Å; V99-F123 HydrophobicContact CG2-CE2 4.44Å; V99-F123 HydrophobicContact CG2-CZ 3.81Å; V99-M144 HydrophobicContact CG2-SD 3.89Å; V99-F145 HydrophobicContact CG2-CZ 4.33Å |
| 100 | A | 95.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.9 | -43.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | P96 G97 H98 G104 F105 Y106 Q321 A322 | P96-A100 PolarHBondContact O-N 2.83Å; G97-A100 PolarHBondContact O-N 3.21Å; H98-A100 VanDerWaalsContact C-N 3.33Å; H98-A100 PolarHBondContact O-N 3.37Å; A100-G104 WeakPolarHBondContact O-CA 3.43Å; A100-G104 PolarHBondContact O-N 2.83Å; A100-G104 VanDerWaalsContact O-N 3.08Å; A100-F105 VanDerWaalsContact CA-O 3.23Å; A100-F105 WeakPolarHBondContact CA-O 3.5Å; A100-F105 PolarHBondContact N-O 2.88Å; A100-Y106 HydrophobicContact CB-CD1 3.97Å; A100-Y106 HydrophobicContact CB-CE1 3.94Å; A100-Q321 HydrophobicContact CB-CB 4.31Å; A100-Q321 HydrophobicContact CB-CG 3.92Å; A100-A322 WeakPolarHBondContact O-CA 3.35Å |
| 101 | L | 97.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.5 | -46.3 | 179.1 | -72.9 | 172 | 0 | 0 | 0 | 113.1 | V50 G97 H98 V99 T260 D262 Q321 I324 A325 M328 | V50-L101 HydrophobicContact CG1-CD1 4.11Å; V50-L101 HydrophobicContact CG2-CD1 3.94Å; G97-L101 VanDerWaalsContact O-CG 3.31Å; G97-L101 WeakPolarHBondContact O-CG 3.33Å; G97-L101 PolarHBondContact O-N 3.31Å; H98-L101 PolarHBondContact O-N 3Å; V99-L101 PolarHBondContact O-N 2.94Å; L101-T260 HydrophobicContact CD1-CG2 4Å; L101-T260 HydrophobicContact CD2-CG2 3.85Å; L101-D262 HydrophobicContact CD1-CB 4.23Å; L101-Q321 HydrophobicContact CD2-CG 3.55Å; L101-Q321 HydrophobicContact CG-CG 3.74Å; L101-I324 HydrophobicContact CD2-CB 4.14Å; L101-I324 HydrophobicContact CD2-CD1 3.34Å; L101-I324 HydrophobicContact CD2-CG1 4.28Å; L101-I324 HydrophobicContact CD2-CG2 4.22Å; L101-A325 WeakPolarHBondContact O-CA 3.41Å; L101-A325 WeakPolarHBondContact O-CB 3.33Å; L101-A325 PolarHBondContact O-N 3.28Å; L101-M328 WeakPolarHBondContact O-CE 3.32Å |
| 102 | I | 97.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -99.5 | -34.6 | -165.8 | -61.6 | 162.1 | 0 | 0 | 0 | 112.2 | L48 H98 L126 F127 F145 F207 | L48-I102 HydrophobicContact CD2-CD1 4.45Å; L48-I102 HydrophobicContact CD2-CG1 4.03Å; H98-I102 WeakPolarHBondContact O-CB 3.48Å; H98-I102 PolarHBondContact O-N 3.02Å; I102-L126 HydrophobicContact CG2-CB 4.19Å; I102-L126 WeakPolarHBondContact O-CB 3.32Å; I102-L126 PolarHBondContact O-N 3.15Å; I102-F127 HydrophobicContact CD1-CE1 4.38Å; I102-F127 HydrophobicContact CD1-CE2 3.95Å; I102-F127 HydrophobicContact CD1-CZ 3.59Å; I102-F127 HydrophobicContact CG1-CE1 4.33Å; I102-F127 HydrophobicContact CG1-CZ 4.02Å; I102-F127 HydrophobicContact CG2-CD1 3.8Å; I102-F127 HydrophobicContact CG2-CD2 4.24Å; I102-F127 HydrophobicContact CG2-CE1 3.66Å; I102-F127 HydrophobicContact CG2-CE2 4.12Å; I102-F127 HydrophobicContact CG2-CG 4.07Å; I102-F127 HydrophobicContact CG2-CZ 3.82Å; I102-F145 HydrophobicContact CB-CD1 4.29Å; I102-F145 HydrophobicContact CB-CE1 3.73Å; I102-F145 HydrophobicContact CB-CZ 4.04Å; I102-F145 HydrophobicContact CD1-CD1 4.5Å; I102-F145 HydrophobicContact CD1-CD2 4.11Å; I102-F145 HydrophobicContact CD1-CE1 4.05Å; I102-F145 HydrophobicContact CD1-CE2 3.6Å; I102-F145 HydrophobicContact CD1-CZ 3.59Å; I102-F145 HydrophobicContact CG1-CE1 4.49Å; I102-F145 HydrophobicContact CG1-CZ 4.35Å; I102-F145 HydrophobicContact CG2-CD1 3.89Å; I102-F145 HydrophobicContact CG2-CE1 3.85Å; I102-F145 HydrophobicContact CG2-CZ 4.49Å; I102-F207 HydrophobicContact CD1-CE1 4.3Å; I102-F207 HydrophobicContact CD1-CZ 4.25Å |
| 103 | A | 95.2 | Very high | 81.7 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -104.9 | -10.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V99 F105 F123 D124 P337 | V99-A103 HydrophobicContact CG1-CB 4.24Å; V99-A103 CarbonylContact O-C 3.59Å; V99-A103 WeakPolarHBondContact O-CA 3.18Å; V99-A103 VanDerWaalsContact O-CB 3.32Å; V99-A103 WeakPolarHBondContact O-CB 3.38Å; V99-A103 PolarHBondContact O-N 2.86Å; A103-F105 VanDerWaalsContact C-N 3.33Å; A103-F105 HydrophobicContact CB-CD1 3.7Å; A103-F105 HydrophobicContact CB-CE1 3.56Å; A103-F105 PolarHBondContact O-N 3.32Å; A103-F123 HydrophobicContact CB-CD2 3.77Å; A103-F123 HydrophobicContact CB-CE2 3.84Å; A103-D124 WeakPolarHBondContact CB-O 3.44Å; A103-P337 WeakPolarHBondContact O-CB 3.25Å |
| 104 | G | 95.7 | Very high | 80 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 76.3 | 15.6 | 172 | 0 | 0 | 0 | 0 | 0 | 114.8 | V99 A100 A322 A325 S340 V341 G342 | V99-G104 PolarHBondContact O-N 2.89Å; A100-G104 WeakPolarHBondContact O-CA 3.43Å; A100-G104 PolarHBondContact O-N 2.83Å; A100-G104 VanDerWaalsContact O-N 3.08Å; G104-A322 WeakPolarHBondContact O-CB 3.32Å; G104-A325 VanDerWaalsContact CA-CB 3.46Å; G104-S340 CarbonylContact O-C 3.57Å; G104-S340 WeakPolarHBondContact O-CA 3.32Å; G104-V341 WeakPolarHBondContact O-CG2 3.35Å; G104-V341 PolarHBondContact O-N 3.42Å; G104-G342 PolarHBondContact O-N 2.9Å |
| 105 | F | 92.9 | Very high | 78.1 | Confident | 5 Ų | 5 | 19 Ų | 19 | 2% | 0.022 | 11% | 0.109 | C | C | . | . | trans | -130.8 | 156.5 | 176.6 | 76.7 | -89.1 | 0 | 0 | 0 | 112.4 | P27 L28 V99 A100 A103 E107 F123 N339 | P27-F105 HydrophobicContact CG-CD2 4.07Å; P27-F105 HydrophobicContact CG-CE2 4.35Å; L28-F105 HydrophobicContact CD2-CD1 4.32Å; L28-F105 HydrophobicContact CD2-CD2 4.21Å; L28-F105 HydrophobicContact CD2-CE1 3.88Å; L28-F105 HydrophobicContact CD2-CE2 3.77Å; L28-F105 HydrophobicContact CD2-CG 4.48Å; L28-F105 HydrophobicContact CD2-CZ 3.6Å; L28-F105 HydrophobicContact CG-CE2 4.41Å; L28-F105 HydrophobicContact CG-CZ 4.47Å; V99-F105 HydrophobicContact CG1-CD1 4.01Å; V99-F105 HydrophobicContact CG1-CD2 4.17Å; V99-F105 HydrophobicContact CG1-CE1 3.46Å; V99-F105 VanDerWaalsContact CG1-CE1 3.46Å; V99-F105 HydrophobicContact CG1-CE2 3.64Å; V99-F105 HydrophobicContact CG1-CG 4.33Å; V99-F105 HydrophobicContact CG1-CZ 3.23Å; A100-F105 VanDerWaalsContact CA-O 3.23Å; A100-F105 WeakPolarHBondContact CA-O 3.5Å; A100-F105 PolarHBondContact N-O 2.88Å; A103-F105 VanDerWaalsContact C-N 3.33Å; A103-F105 HydrophobicContact CB-CD1 3.7Å; A103-F105 HydrophobicContact CB-CE1 3.56Å; A103-F105 PolarHBondContact O-N 3.32Å; F105-E107 HydrophobicContact CE2-CG 4.06Å; F105-F123 HydrophobicContact CE1-CB 3.89Å; F105-F123 HydrophobicContact CE1-CD1 4.47Å; F105-F123 AromaticContact CE1-CD2 3.7Å; F105-F123 HydrophobicContact CE1-CD2 3.7Å; F105-F123 HydrophobicContact CE1-CE2 4.38Å; F105-F123 AromaticContact CE1-CG 3.76Å; F105-F123 HydrophobicContact CE1-CG 3.76Å; F105-F123 HydrophobicContact CZ-CB 3.99Å; F105-F123 HydrophobicContact CZ-CD1 4.05Å; F105-F123 HydrophobicContact CZ-CD2 4.09Å; F105-F123 AromaticContact CZ-CG 3.77Å; F105-F123 HydrophobicContact CZ-CG 3.77Å; F105-N339 WeakPolarHBondContact CB-O 3.41Å; F105-N339 HydrophobicContact CD1-CB 4.16Å; F105-N339 HydrophobicContact CG-CB 4.48Å | ||
| 106 | Y | 89.3 | Confident | 76.1 | Confident | 34 Ų | 34 | 24.7 Ų | 24.7 | 13% | 0.133 | 13% | 0.131 | C | C | . | . | P | Polyproline II helix | trans | -94.4 | 120.3 | 179.4 | -60.8 | -74.6 | 0 | 0 | 0 | 109.6 | R89 A100 N320 Q321 A322 V341 | R89-Y106 HydrophobicContact CB-CD1 3.8Å; R89-Y106 HydrophobicContact CB-CE1 3.91Å; R89-Y106 HydrophobicContact CG-CD1 3.85Å; R89-Y106 HydrophobicContact CG-CE1 3.55Å; R89-Y106 HydrophobicContact CG-CG 4.42Å; R89-Y106 VanDerWaalsContact NH1-CD2 3.35Å; A100-Y106 HydrophobicContact CB-CD1 3.97Å; A100-Y106 HydrophobicContact CB-CE1 3.94Å; Y106-N320 WeakPolarHBondContact OH-CB 3.49Å; Y106-Q321 HydrophobicContact CE1-CB 4.47Å; Y106-A322 HydrophobicContact CD2-CB 4.45Å; Y106-A322 HydrophobicContact CE1-CB 4.39Å; Y106-A322 HydrophobicContact CE2-CB 3.61Å; Y106-A322 PolarHBondContact OH-N 3.24Å; Y106-V341 HydrophobicContact CD2-CG2 4.03Å; Y106-V341 HydrophobicContact CE2-CG2 4.13Å |
| 107 | E | 77.7 | Confident | 74.1 | Confident | 10 Ų | 10 | 31.4 Ų | 31.4 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 140.5 | 171.5 | -73.3 | -165.3 | 90.2 | 0 | 0 | 111 | R95 P96 V99 F105 A111 N119 | R95-E107 WeakPolarHBondContact CG-OE2 3.23Å; R95-E107 IonicContact CZ-OE1 3.64Å; R95-E107 IonicContact CZ-OE2 2.85Å; R95-E107 IonicContact NE-OE1 3.39Å; R95-E107 PolarHBondContact NE-OE1 3.32Å; R95-E107 IonicContact NE-OE2 2.6Å; R95-E107 PolarHBondContact NE-OE2 2.96Å; R95-E107 IonicContact NH2-OE1 3.84Å; R95-E107 PolarHBondContact NH2-OE1 2.92Å; R95-E107 IonicContact NH2-OE2 3.76Å; P96-E107 WeakPolarHBondContact CA-OE2 3.44Å; P96-E107 HydrophobicContact CB-CB 4.31Å; P96-E107 HydrophobicContact CG-CB 4.47Å; V99-E107 HydrophobicContact CB-CG 4.12Å; V99-E107 HydrophobicContact CG1-CG 3.89Å; V99-E107 HydrophobicContact CG2-CG 4.22Å; F105-E107 HydrophobicContact CE2-CG 4.06Å; E107-A111 WeakPolarHBondContact OE1-CB 3.31Å; E107-N119 PolarHBondContact OE1-ND2 3.45Å; E107-N119 VanDerWaalsContact OE1-ND2 3.07Å |
| 108 | D | 67.9 | Low | 72.1 | Confident | 21 Ų | 21 | 36.7 Ų | 36.7 | 11% | 0.112 | 18% | 0.183 | C | C | . | . | P | Polyproline II helix | trans | -90.4 | 157.4 | 173 | 177.5 | 36.9 | 0 | 0 | 0 | 111 | F24 T25 S110 A111 | F24-D108 WeakPolarHBondContact CA-OD2 3.47Å; F24-D108 VanDerWaalsContact CB-OD2 3.27Å; F24-D108 WeakPolarHBondContact CB-OD2 3.38Å; F24-D108 WeakPolarHBondContact CD1-OD1 3.39Å; T25-D108 PolarHBondContact N-OD2 2.77Å; D108-S110 PolarHBondContact O-N 3.15Å; D108-S110 VanDerWaalsContact O-N 3.08Å; D108-S110 WeakPolarHBondContact OD2-CB 3.3Å; D108-S110 PolarHBondContact OD2-OG 3.42Å; D108-A111 WeakPolarHBondContact O-CB 3.43Å; D108-A111 PolarHBondContact O-N 3.01Å |
| 109 | V | 59 | Low | 70 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.024 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55 | -29.5 | 179.3 | -176.1 | 0 | 0 | 0 | 0 | 112 | F24 A111 V112 A113 N815 H817 | F24-V109 HydrophobicContact CD1-CB 3.84Å; F24-V109 HydrophobicContact CD1-CG2 4.11Å; F24-V109 HydrophobicContact CE1-CB 4.02Å; F24-V109 HydrophobicContact CE1-CG2 3.9Å; F24-V109 HydrophobicContact CG-CB 4.21Å; V109-A111 PolarHBondContact O-N 3.43Å; V109-V112 PolarHBondContact O-N 3Å; V109-V112 VanDerWaalsContact O-N 3.09Å; V109-A113 PolarHBondContact O-N 2.85Å; V109-A113 VanDerWaalsContact O-N 3.07Å; V109-N815 HydrophobicContact CG2-CB 4.35Å; V109-H817 WeakPolarHBondContact CG1-NE2 3.43Å |
| 110 | S | 54.9 | Low | 68.1 | Low | 13 Ų | 13 | 41 Ų | 41 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.4 | -30.6 | 174.3 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | F24 D108 K114 | F24-S110 WeakPolarHBondContact O-CB 3.34Å; F24-S110 PolarHBondContact O-OG 3.48Å; D108-S110 PolarHBondContact O-N 3.15Å; D108-S110 VanDerWaalsContact O-N 3.08Å; D108-S110 WeakPolarHBondContact OD2-CB 3.3Å; D108-S110 PolarHBondContact OD2-OG 3.42Å; S110-K114 WeakPolarHBondContact O-CG 3.42Å; S110-K114 PolarHBondContact O-N 3.3Å |
| 111 | A | 56.6 | Low | 66.5 | Low | 16 Ų | 16 | 43.3 Ų | 43.3 | 13% | 0.132 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.8 | -28.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R95 E107 D108 V109 G115 | R95-A111 PolarHBondContact NH2-O 2.92Å; R95-A111 VanDerWaalsContact NH2-O 3.11Å; E107-A111 WeakPolarHBondContact OE1-CB 3.31Å; D108-A111 WeakPolarHBondContact O-CB 3.43Å; D108-A111 PolarHBondContact O-N 3.01Å; V109-A111 PolarHBondContact O-N 3.43Å; A111-G115 PolarHBondContact O-N 2.74Å |
| 112 | V | 53.7 | Low | 65.4 | Low | 20 Ų | 20 | 49.4 Ų | 49.4 | 12% | 0.121 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -76.2 | -37.9 | 175.5 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | V109 K114 G115 W116 | V109-V112 PolarHBondContact O-N 3Å; V109-V112 VanDerWaalsContact O-N 3.09Å; V112-K114 VanDerWaalsContact C-N 3.31Å; V112-K114 PolarHBondContact O-N 3.37Å; V112-G115 CarbonylContact O-C 3.4Å; V112-G115 PolarHBondContact O-N 3.27Å; V112-W116 HydrophobicContact CG1-CD2 4.2Å; V112-W116 HydrophobicContact CG1-CE3 3.36Å; V112-W116 HydrophobicContact CG1-CH2 4.13Å; V112-W116 HydrophobicContact CG1-CZ3 3.33Å |
| 113 | A | 48.5 | Very low | 64.9 | Low | 70 Ų | 70 | 50.3 Ų | 50.3 | 58% | 0.579 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -68 | -27.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V109 | V109-A113 PolarHBondContact O-N 2.85Å; V109-A113 VanDerWaalsContact O-N 3.07Å |
| 114 | K | 51.1 | Low | 64.7 | Low | 150 Ų | 150 | 51.2 Ų | 51.2 | 65% | 0.652 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -88.7 | -17.1 | 179 | -69.9 | 175.6 | -179.3 | 176 | 0 | 113.7 | S110 V112 P120 | S110-K114 WeakPolarHBondContact O-CG 3.42Å; S110-K114 PolarHBondContact O-N 3.3Å; V112-K114 VanDerWaalsContact C-N 3.31Å; V112-K114 PolarHBondContact O-N 3.37Å; K114-P120 HydrophobicContact CB-CG 3.66Å; K114-P120 HydrophobicContact CD-CG 4.44Å |
| 115 | G | 47.7 | Very low | 64.5 | Low | 20 Ų | 20 | 51.2 Ų | 51.2 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | trans | -173.8 | 120.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | R95 A111 V112 | R95-G115 PolarHBondContact NH1-O 3.02Å; A111-G115 PolarHBondContact O-N 2.74Å; V112-G115 CarbonylContact O-C 3.4Å; V112-G115 PolarHBondContact O-N 3.27Å | ||
| 116 | W | 45.7 | Very low | 64.6 | Low | 143 Ų | 143 | 51 Ų | 51 | 54% | 0.542 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -77.5 | -38.9 | 180 | -165.6 | -85.3 | 0 | 0 | 0 | 111.7 | R95 V112 | R95-W116 PolarHBondContact NH1-O 3.48Å; V112-W116 HydrophobicContact CG1-CD2 4.2Å; V112-W116 HydrophobicContact CG1-CE3 3.36Å; V112-W116 HydrophobicContact CG1-CH2 4.13Å; V112-W116 HydrophobicContact CG1-CZ3 3.33Å |
| 117 | K | 46.9 | Very low | 64.9 | Low | 152 Ų | 152 | 49.4 Ų | 49.4 | 66% | 0.661 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -94.5 | -26.2 | -175.3 | -65.9 | -165.7 | 172.2 | -154 | 0 | 115.1 | ||
| 118 | E | 50.7 | Low | 65.6 | Low | 112 Ų | 112 | 49.9 Ų | 49.9 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -134.9 | 143.1 | -179.4 | -71 | -170.1 | -169.3 | 0 | 0 | 110.7 | P120 K147 | E118-P120 WeakPolarHBondContact O-CD 3.41Å; E118-K147 IonicContact OE2-NZ 3.48Å; E118-K147 PolarHBondContact OE2-NZ 2.96Å |
| 119 | N | 51.4 | Low | 66.7 | Low | 18 Ų | 18 | 51.1 Ų | 51.1 | 10% | 0.096 | 26% | 0.262 | C | S | . | . | trans | -72.4 | 121.6 | 170.1 | -168.4 | -25.2 | 0 | 0 | 0 | 108.9 | E107 V121 F123 | E107-N119 PolarHBondContact OE1-ND2 3.45Å; E107-N119 VanDerWaalsContact OE1-ND2 3.07Å; N119-V121 PolarHBondContact O-N 3.45Å; N119-V121 PolarHBondContact OD1-N 3.38Å; N119-V121 PolarHBondContact OD1-O 3.1Å; N119-F123 HydrophobicContact CB-CE1 4.13Å; N119-F123 WeakPolarHBondContact ND2-CE1 3.33Å | ||
| 120 | P | 54.8 | Low | 68.4 | Low | 72 Ų | 72 | 51.2 Ų | 51.2 | 47% | 0.468 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -76.1 | -8.8 | -179 | 30.2 | -35.3 | 0 | 0 | 0 | 113.7 | K114 E118 | K114-P120 HydrophobicContact CB-CG 3.66Å; K114-P120 HydrophobicContact CD-CG 4.44Å; E118-P120 WeakPolarHBondContact O-CD 3.41Å |
| 121 | V | 61.7 | Low | 70.3 | Confident | 49 Ų | 49 | 54.7 Ų | 54.7 | 30% | 0.297 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -119.2 | 125.7 | -178.2 | -172.3 | 0 | 0 | 0 | 0 | 109.6 | L28 N119 | L28-V121 HydrophobicContact CD1-CB 4.03Å; L28-V121 HydrophobicContact CD1-CG1 3.59Å; N119-V121 PolarHBondContact O-N 3.45Å; N119-V121 PolarHBondContact OD1-N 3.38Å; N119-V121 PolarHBondContact OD1-O 3.1Å |
| 122 | E | 75.4 | Confident | 72.2 | Confident | 129 Ų | 129 | 56.1 Ų | 56.1 | 60% | 0.603 | 28% | 0.279 | S | S | * | . | trans | -66.1 | 138.1 | 175.4 | -64 | -178.2 | 164.3 | 0 | 0 | 110.6 | ||||
| 123 | F | 85.9 | Confident | 74.3 | Confident | 18 Ų | 18 | 55.2 Ų | 55.2 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | trans | -136.9 | 154.4 | 177.3 | 58.8 | -93.8 | 0 | 0 | 0 | 110.1 | L28 V99 A103 F105 N119 F145 | L28-F123 HydrophobicContact CD1-CB 4.13Å; L28-F123 HydrophobicContact CD2-CB 3.98Å; V99-F123 HydrophobicContact CG1-CE2 4.37Å; V99-F123 HydrophobicContact CG1-CZ 4.37Å; V99-F123 HydrophobicContact CG2-CE1 4.33Å; V99-F123 HydrophobicContact CG2-CE2 4.44Å; V99-F123 HydrophobicContact CG2-CZ 3.81Å; A103-F123 HydrophobicContact CB-CD2 3.77Å; A103-F123 HydrophobicContact CB-CE2 3.84Å; F105-F123 HydrophobicContact CE1-CB 3.89Å; F105-F123 HydrophobicContact CE1-CD1 4.47Å; F105-F123 AromaticContact CE1-CD2 3.7Å; F105-F123 HydrophobicContact CE1-CD2 3.7Å; F105-F123 HydrophobicContact CE1-CE2 4.38Å; F105-F123 AromaticContact CE1-CG 3.76Å; F105-F123 HydrophobicContact CE1-CG 3.76Å; F105-F123 HydrophobicContact CZ-CB 3.99Å; F105-F123 HydrophobicContact CZ-CD1 4.05Å; F105-F123 HydrophobicContact CZ-CD2 4.09Å; F105-F123 AromaticContact CZ-CG 3.77Å; F105-F123 HydrophobicContact CZ-CG 3.77Å; N119-F123 HydrophobicContact CB-CE1 4.13Å; N119-F123 WeakPolarHBondContact ND2-CE1 3.33Å; F123-F145 HydrophobicContact CE2-CD1 4.02Å; F123-F145 AromaticContact CE2-CE1 3.85Å; F123-F145 HydrophobicContact CE2-CE1 3.85Å; F123-F145 HydrophobicContact CZ-CD1 4.27Å; F123-F145 HydrophobicContact CZ-CE1 4.04Å | ||
| 124 | D | 90 | Very high | 76.6 | Confident | 19 Ų | 19 | 52 Ų | 52 | 10% | 0.102 | 25% | 0.246 | C | C | . | . | trans | -81.8 | 147.6 | 174 | 178.2 | 45.1 | 0 | 0 | 0 | 111.2 | A103 N128 P337 L338 | A103-D124 WeakPolarHBondContact CB-O 3.44Å; D124-N128 VanDerWaalsContact OD1-CB 3.31Å; D124-N128 WeakPolarHBondContact OD1-CB 3.47Å; D124-P337 VanDerWaalsContact OD2-CA 3.28Å; D124-P337 WeakPolarHBondContact OD2-CA 3.46Å; D124-L338 HydrophobicContact CB-CB 4.01Å; D124-L338 HydrophobicContact CB-CD1 3.95Å; D124-L338 HydrophobicContact CB-CG 3.99Å; D124-L338 WeakPolarHBondContact OD2-CG 3.3Å; D124-L338 PolarHBondContact OD2-N 2.75Å | ||
| 125 | S | 93.4 | Very high | 78.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -149.4 | 168.7 | -176.7 | 87.1 | 0 | 0 | 0 | 0 | 111.6 | F127 N128 E129 | S125-F127 PolarHBondContact O-N 3.44Å; S125-F127 VanDerWaalsContact O-N 3.08Å; S125-F127 PolarHBondContact OG-N 2.89Å; S125-N128 VanDerWaalsContact CB-OD1 3.31Å; S125-N128 WeakPolarHBondContact CB-OD1 3.47Å; S125-N128 PolarHBondContact N-OD1 3.1Å; S125-N128 VanDerWaalsContact N-OD1 3.13Å; S125-N128 WeakPolarHBondContact O-CB 3.34Å; S125-N128 PolarHBondContact O-N 2.73Å; S125-N128 VanDerWaalsContact O-N 3.1Å; S125-N128 PolarHBondContact OG-OD1 3.25Å; S125-E129 PolarHBondContact O-N 3.44Å | ||
| 126 | L | 94.9 | Very high | 81.2 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -52 | -35.1 | 175.3 | -173.5 | 83.6 | 0 | 0 | 0 | 112.6 | L46 I102 E129 S130 V205 M328 A329 I332 V334 | L46-L126 HydrophobicContact CD2-CD2 3.78Å; I102-L126 HydrophobicContact CG2-CB 4.19Å; I102-L126 WeakPolarHBondContact O-CB 3.32Å; I102-L126 PolarHBondContact O-N 3.15Å; L126-E129 PolarHBondContact O-N 3.24Å; L126-S130 WeakPolarHBondContact O-CB 3.46Å; L126-S130 PolarHBondContact O-N 2.88Å; L126-S130 VanDerWaalsContact O-N 3.08Å; L126-V205 HydrophobicContact CD2-CG1 4.45Å; L126-V205 HydrophobicContact CD2-CG2 4.06Å; L126-V205 HydrophobicContact CG-CG2 4.48Å; L126-M328 HydrophobicContact CD1-CB 3.85Å; L126-M328 HydrophobicContact CD2-CB 3.66Å; L126-M328 HydrophobicContact CD2-CE 3.92Å; L126-M328 HydrophobicContact CD2-CG 4.32Å; L126-M328 HydrophobicContact CD2-SD 3.87Å; L126-M328 HydrophobicContact CG-CB 4.39Å; L126-A329 HydrophobicContact CD1-CB 3.94Å; L126-I332 HydrophobicContact CD1-CD1 4.46Å; L126-V334 HydrophobicContact CD1-CG2 3.58Å |
| 127 | F | 94.8 | Very high | 83.6 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.6 | -37.3 | -176.6 | -61.5 | -5.1 | 0 | 0 | 0 | 111.4 | I102 S125 E129 S130 T133 F145 H153 V154 V205 F207 | I102-F127 HydrophobicContact CD1-CE1 4.38Å; I102-F127 HydrophobicContact CD1-CE2 3.95Å; I102-F127 HydrophobicContact CD1-CZ 3.59Å; I102-F127 HydrophobicContact CG1-CE1 4.33Å; I102-F127 HydrophobicContact CG1-CZ 4.02Å; I102-F127 HydrophobicContact CG2-CD1 3.8Å; I102-F127 HydrophobicContact CG2-CD2 4.24Å; I102-F127 HydrophobicContact CG2-CE1 3.66Å; I102-F127 HydrophobicContact CG2-CE2 4.12Å; I102-F127 HydrophobicContact CG2-CG 4.07Å; I102-F127 HydrophobicContact CG2-CZ 3.82Å; S125-F127 PolarHBondContact O-N 3.44Å; S125-F127 VanDerWaalsContact O-N 3.08Å; S125-F127 PolarHBondContact OG-N 2.89Å; F127-E129 VanDerWaalsContact C-N 3.29Å; F127-E129 PolarHBondContact O-N 3.23Å; F127-S130 PolarHBondContact O-N 3.43Å; F127-S130 PolarHBondContact O-OG 3.04Å; F127-T133 HydrophobicContact CB-CG2 4.21Å; F127-T133 HydrophobicContact CD1-CG2 4.03Å; F127-T133 HydrophobicContact CD2-CG2 3.9Å; F127-T133 HydrophobicContact CE1-CG2 4.42Å; F127-T133 HydrophobicContact CE2-CG2 4.3Å; F127-T133 HydrophobicContact CG-CG2 3.78Å; F127-F145 HydrophobicContact CD2-CB 3.53Å; F127-F145 HydrophobicContact CD2-CG 4.04Å; F127-F145 HydrophobicContact CE2-CB 4.01Å; F127-F145 HydrophobicContact CE2-CD2 4.28Å; F127-F145 HydrophobicContact CE2-CG 4.12Å; F127-F145 HydrophobicContact CG-CB 4.5Å; F127-H153 PolarHBondContact O-CE1 2.85Å; F127-V154 HydrophobicContact CB-CG2 4.26Å; F127-V205 HydrophobicContact CD1-CG1 3.97Å; F127-V205 HydrophobicContact CE1-CG1 3.68Å; F127-F207 HydrophobicContact CE1-CB 4.35Å; F127-F207 HydrophobicContact CE2-CB 4.22Å; F127-F207 AromaticContact CE2-CD1 3.69Å; F127-F207 HydrophobicContact CE2-CD1 3.69Å; F127-F207 HydrophobicContact CE2-CE1 4.39Å; F127-F207 HydrophobicContact CE2-CG 4.13Å; F127-F207 HydrophobicContact CZ-CB 3.63Å; F127-F207 AromaticContact CZ-CD1 3.67Å; F127-F207 HydrophobicContact CZ-CD1 3.67Å; F127-F207 HydrophobicContact CZ-CD2 4.39Å; F127-F207 HydrophobicContact CZ-CE1 4.45Å; F127-F207 AromaticContact CZ-CG 3.63Å; F127-F207 HydrophobicContact CZ-CG 3.63Å |
| 128 | N | 91.4 | Very high | 85.7 | Confident | 20 Ų | 20 | 30.3 Ų | 30.3 | 11% | 0.107 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.6 | -38.3 | 174.9 | -56.5 | 78.7 | 0 | 0 | 0 | 111.2 | D124 S125 S130 G148 A149 H153 | D124-N128 VanDerWaalsContact OD1-CB 3.31Å; D124-N128 WeakPolarHBondContact OD1-CB 3.47Å; S125-N128 VanDerWaalsContact CB-OD1 3.31Å; S125-N128 WeakPolarHBondContact CB-OD1 3.47Å; S125-N128 PolarHBondContact N-OD1 3.1Å; S125-N128 VanDerWaalsContact N-OD1 3.13Å; S125-N128 WeakPolarHBondContact O-CB 3.34Å; S125-N128 PolarHBondContact O-N 2.73Å; S125-N128 VanDerWaalsContact O-N 3.1Å; S125-N128 PolarHBondContact OG-OD1 3.25Å; N128-S130 VanDerWaalsContact C-N 3.35Å; N128-G148 VanDerWaalsContact ND2-C 3.28Å; N128-G148 PolarHBondContact ND2-O 3.32Å; N128-G148 VanDerWaalsContact ND2-O 3.13Å; N128-A149 VanDerWaalsContact ND2-CA 3.27Å; N128-A149 WeakPolarHBondContact ND2-CA 3.39Å; N128-A149 PolarHBondContact ND2-N 3.22Å; N128-H153 PolarHBondContact O-CE1 3.1Å; N128-H153 VanDerWaalsContact O-CE1 3.29Å |
| 129 | E | 92.3 | Very high | 87.4 | Confident | 47 Ų | 47 | 26.6 Ų | 26.6 | 22% | 0.22 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -84.4 | -9.1 | -178.5 | -66.5 | -60.7 | 152.9 | 0 | 0 | 113.7 | S125 L126 F127 V334 P335 | S125-E129 PolarHBondContact O-N 3.44Å; L126-E129 PolarHBondContact O-N 3.24Å; F127-E129 VanDerWaalsContact C-N 3.29Å; F127-E129 PolarHBondContact O-N 3.23Å; E129-V334 HydrophobicContact CB-CB 4.06Å; E129-V334 HydrophobicContact CB-CG2 4.35Å; E129-V334 WeakPolarHBondContact O-CG1 3.32Å; E129-P335 HydrophobicContact CG-CB 4.22Å; E129-P335 WeakPolarHBondContact OE2-CB 3.43Å; E129-P335 WeakPolarHBondContact OE2-CD 3.24Å; E129-P335 WeakPolarHBondContact OE2-CG 3.37Å |
| 130 | S | 94.3 | Very high | 88.9 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -77.7 | 154.2 | 177 | 79 | 0 | 0 | 0 | 0 | 112.6 | L126 F127 N128 T133 H153 K203 | L126-S130 WeakPolarHBondContact O-CB 3.46Å; L126-S130 PolarHBondContact O-N 2.88Å; L126-S130 VanDerWaalsContact O-N 3.08Å; F127-S130 PolarHBondContact O-N 3.43Å; F127-S130 PolarHBondContact O-OG 3.04Å; N128-S130 VanDerWaalsContact C-N 3.35Å; S130-T133 PolarHBondContact OG-OG1 3.13Å; S130-H153 PolarHBondContact O-ND1 3.38Å; S130-K203 WeakPolarHBondContact CB-O 3.43Å |
| 131 | K | 95.1 | Very high | 90.5 | Very high | 86 Ų | 86 | 26.1 Ų | 26.1 | 37% | 0.374 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -72.8 | -40.6 | 174.2 | -174.7 | 167.2 | 176.5 | 177.6 | 0 | 111.8 | H153 E201 E202 K203 | K131-H153 WeakPolarHBondContact O-CB 3.48Å; K131-E201 HydrophobicContact CD-CB 4.18Å; K131-E201 IonicContact NZ-OE1 3.98Å; K131-E201 PolarHBondContact NZ-OE1 3.45Å; K131-E201 IonicContact NZ-OE2 3.72Å; K131-E201 PolarHBondContact NZ-OE2 3.23Å; K131-E202 WeakPolarHBondContact CB-O 3.35Å; K131-K203 HydrophobicContact CB-CB 4.03Å; K131-K203 PolarHBondContact N-O 3.32Å |
| 132 | Y | 96.8 | Very high | 91.9 | Very high | 47 Ų | 47 | 23.9 Ų | 23.9 | 18% | 0.184 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 137.9 | 171.4 | -65.3 | -65.4 | 0 | 0 | 0 | 109.8 | W134 H153 Y155 K198 E201 V204 V205 | Y132-W134 VanDerWaalsContact CB-CH2 3.49Å; Y132-W134 HydrophobicContact CD2-CH2 4.19Å; Y132-W134 AromaticContact CG-CH2 3.86Å; Y132-W134 HydrophobicContact CG-CH2 3.86Å; Y132-W134 HydrophobicContact CG-CZ2 4.4Å; Y132-W134 HydrophobicContact CG-CZ3 4.38Å; Y132-H153 WeakPolarHBondContact CA-O 3.12Å; Y132-H153 HydrophobicContact CD1-CB 4.07Å; Y132-H153 HydrophobicContact CE1-CB 4.39Å; Y132-Y155 HydrophobicContact CD1-CE2 4.07Å; Y132-K198 HydrophobicContact CD2-CB 4.15Å; Y132-K198 HydrophobicContact CE1-CD 4.13Å; Y132-K198 HydrophobicContact CE1-CG 4.42Å; Y132-K198 HydrophobicContact CE2-CB 3.98Å; Y132-K198 HydrophobicContact CE2-CG 3.94Å; Y132-E201 HydrophobicContact CD2-CB 4.4Å; Y132-E201 HydrophobicContact CE2-CB 4.46Å; Y132-E201 HydrophobicContact CE2-CG 4.24Å; Y132-V204 WeakPolarHBondContact O-CA 3.5Å; Y132-V205 PolarHBondContact O-N 3.29Å |
| 133 | T | 97.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.1 | 169.5 | -68.2 | 0 | 0 | 0 | 0 | 109.9 | F127 S130 H153 V154 Y155 V205 | F127-T133 HydrophobicContact CB-CG2 4.21Å; F127-T133 HydrophobicContact CD1-CG2 4.03Å; F127-T133 HydrophobicContact CD2-CG2 3.9Å; F127-T133 HydrophobicContact CE1-CG2 4.42Å; F127-T133 HydrophobicContact CE2-CG2 4.3Å; F127-T133 HydrophobicContact CG-CG2 3.78Å; S130-T133 PolarHBondContact OG-OG1 3.13Å; T133-H153 PolarHBondContact N-O 2.9Å; T133-V154 HydrophobicContact CG2-CG1 4.22Å; T133-Y155 WeakPolarHBondContact O-CD2 3.38Å; T133-Y155 PolarHBondContact O-N 3.15Å; T133-V205 VanDerWaalsContact CA-O 3.3Å; T133-V205 WeakPolarHBondContact CA-O 3.41Å; T133-V205 HydrophobicContact CG2-CB 4.36Å; T133-V205 HydrophobicContact CG2-CG1 4.46Å |
| 134 | W | 97.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.015 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 128.8 | 165.1 | -66.1 | -87.7 | 0 | 0 | 0 | 109.5 | Y132 W136 Y155 F185 L195 K198 V199 V204 V205 F206 F207 | Y132-W134 VanDerWaalsContact CB-CH2 3.49Å; Y132-W134 HydrophobicContact CD2-CH2 4.19Å; Y132-W134 AromaticContact CG-CH2 3.86Å; Y132-W134 HydrophobicContact CG-CH2 3.86Å; Y132-W134 HydrophobicContact CG-CZ2 4.4Å; Y132-W134 HydrophobicContact CG-CZ3 4.38Å; W134-W136 HydrophobicContact CB-CH2 3.39Å; W134-W136 HydrophobicContact CB-CZ2 3.91Å; W134-W136 HydrophobicContact CB-CZ3 3.82Å; W134-W136 HydrophobicContact CG-CH2 4.33Å; W134-W136 WeakPolarHBondContact O-CZ3 3.38Å; W134-Y155 AromaticContact CD1-CD2 3.6Å; W134-Y155 AromaticContact CD1-CG 3.95Å; W134-Y155 HydrophobicContact CD2-CD2 4.33Å; W134-Y155 AromaticContact CE2-CD2 3.75Å; W134-Y155 HydrophobicContact CG-CD2 4.24Å; W134-Y155 HydrophobicContact CZ2-CD2 4.34Å; W134-Y155 HydrophobicContact CZ2-CE2 4.19Å; W134-Y155 AromaticContact NE1-CD2 3.24Å; W134-Y155 AromaticContact NE1-CE2 3.81Å; W134-Y155 AromaticContact NE1-CG 3.88Å; W134-F185 AromaticContact CD1-CE2 3.47Å; W134-F185 VanDerWaalsContact CD1-CE2 3.47Å; W134-F185 AromaticContact CD1-CZ 3.61Å; W134-F185 HydrophobicContact CD2-CE2 4.4Å; W134-F185 AromaticContact CD2-CZ 3.76Å; W134-F185 HydrophobicContact CD2-CZ 3.76Å; W134-F185 AromaticContact CE2-CZ 3.68Å; W134-F185 HydrophobicContact CE3-CZ 4.49Å; W134-F185 HydrophobicContact CG-CE2 4.02Å; W134-F185 AromaticContact CG-CZ 3.74Å; W134-F185 HydrophobicContact CG-CZ 3.74Å; W134-F185 HydrophobicContact CZ2-CZ 4.37Å; W134-F185 AromaticContact NE1-CE2 3.55Å; W134-F185 AromaticContact NE1-CZ 3.58Å; W134-L195 HydrophobicContact CZ2-CD1 4.02Å; W134-K198 HydrophobicContact CH2-CB 3.87Å; W134-K198 HydrophobicContact CZ2-CB 4.02Å; W134-V199 HydrophobicContact CE3-CG1 4.39Å; 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 4Å; W134-V204 HydrophobicContact CZ3-CG1 3.56Å; W134-V204 HydrophobicContact CZ3-CG2 4.43Å; W134-V205 PolarHBondContact N-O 3.17Å; W134-F206 HydrophobicContact CB-CD1 4.12Å; W134-F206 HydrophobicContact CB-CE1 4.42Å; W134-F206 HydrophobicContact CD2-CE1 4.18Å; W134-F206 HydrophobicContact CE3-CD1 4.12Å; W134-F206 AromaticContact CE3-CE1 3.52Å; W134-F206 HydrophobicContact CE3-CE1 3.52Å; W134-F206 AromaticContact CE3-CZ 3.95Å; W134-F206 HydrophobicContact CE3-CZ 3.95Å; W134-F206 HydrophobicContact CZ3-CE1 4.18Å; W134-F206 HydrophobicContact CZ3-CZ 4.17Å; W134-F206 CarbonylContact O-C 3.4Å; W134-F206 WeakPolarHBondContact O-CA 3.38Å; W134-F207 PolarHBondContact O-N 3.35Å |
| 135 | S | 97 | Very high | 92.4 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.014 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 139.1 | -174.7 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | Y155 T156 Y157 F207 | S135-Y155 PolarHBondContact N-O 3.21Å; S135-Y155 PolarHBondContact OG-O 2.83Å; S135-T156 WeakPolarHBondContact OG-CA 3.13Å; S135-T156 WeakPolarHBondContact OG-CG2 3.22Å; S135-Y157 PolarHBondContact O-N 3.39Å; S135-F207 CarbonylContact C-O 3.55Å; S135-F207 VanDerWaalsContact CA-O 3.25Å; S135-F207 WeakPolarHBondContact CA-O 3.43Å |
| 136 | W | 97.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 21 Ų | 21 | 1% | 0.011 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 133.9 | 179.7 | -60.6 | -93.3 | 0 | 0 | 0 | 111.4 | W134 Y157 V178 V182 F185 F206 F207 L208 H209 | W134-W136 HydrophobicContact CB-CH2 3.39Å; W134-W136 HydrophobicContact CB-CZ2 3.91Å; W134-W136 HydrophobicContact CB-CZ3 3.82Å; W134-W136 HydrophobicContact CG-CH2 4.33Å; W134-W136 WeakPolarHBondContact O-CZ3 3.38Å; W136-Y157 VanDerWaalsContact CA-O 3.31Å; W136-Y157 WeakPolarHBondContact CA-O 3.13Å; W136-Y157 VanDerWaalsContact CD1-CB 3.46Å; W136-Y157 AromaticContact CD1-CD2 3.81Å; W136-Y157 AromaticContact CD1-CG 3.88Å; W136-Y157 AromaticContact CE2-CD2 3.91Å; W136-Y157 HydrophobicContact CG-CD2 4.47Å; W136-Y157 HydrophobicContact CZ2-CD2 4.48Å; W136-Y157 AromaticContact NE1-CD2 3.39Å; W136-Y157 AromaticContact NE1-CG 3.74Å; W136-V178 HydrophobicContact CB-CG1 3.84Å; W136-V178 HydrophobicContact CB-CG2 4.4Å; W136-V182 HydrophobicContact CD2-CG2 3.61Å; W136-V182 HydrophobicContact CE3-CG2 3.61Å; W136-V182 HydrophobicContact CG-CG2 4.1Å; W136-V182 HydrophobicContact CH2-CG2 4.23Å; W136-V182 HydrophobicContact CZ2-CG2 4.27Å; W136-V182 HydrophobicContact CZ3-CG2 3.92Å; W136-F185 HydrophobicContact CH2-CD1 4.09Å; W136-F185 HydrophobicContact CH2-CE1 4.31Å; W136-F185 HydrophobicContact CH2-CG 4.29Å; W136-F185 HydrophobicContact CZ2-CB 3.95Å; W136-F185 AromaticContact CZ2-CD1 3.94Å; W136-F185 HydrophobicContact CZ2-CD1 3.94Å; W136-F185 AromaticContact CZ2-CD2 3.91Å; W136-F185 HydrophobicContact CZ2-CD2 3.91Å; W136-F185 HydrophobicContact CZ2-CE1 4.42Å; W136-F185 HydrophobicContact CZ2-CE2 4.38Å; W136-F185 AromaticContact CZ2-CG 3.66Å; W136-F185 HydrophobicContact CZ2-CG 3.66Å; W136-F206 AromaticContact CH2-CD1 3.85Å; W136-F206 HydrophobicContact CH2-CD1 3.85Å; W136-F206 HydrophobicContact CH2-CE1 4.45Å; W136-F206 HydrophobicContact CZ3-CB 4.34Å; W136-F206 AromaticContact CZ3-CD1 3.95Å; W136-F206 HydrophobicContact CZ3-CD1 3.95Å; W136-F207 PolarHBondContact N-O 3.14Å; W136-L208 HydrophobicContact CE3-CG 4.38Å; W136-H209 PolarHBondContact O-N 3.42Å |
| 137 | G | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.9 | -136.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y157 S158 | G137-Y157 PolarHBondContact N-O 2.82Å; G137-Y157 VanDerWaalsContact N-O 3.09Å; G137-S158 WeakPolarHBondContact O-CA 3.41Å; G137-S158 WeakPolarHBondContact O-CB 3.48Å; G137-S158 PolarHBondContact O-OG 3.21Å |
| 138 | S | 90.7 | Very high | 89 | Confident | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.028 | 15% | 0.153 | C | C | . | . | trans | -72.7 | 138.8 | -169.3 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | D140 I141 L142 Y159 E164 H209 | S138-D140 PolarHBondContact O-N 2.93Å; S138-D140 PolarHBondContact OG-N 3.2Å; S138-D140 VanDerWaalsContact OG-N 3.08Å; S138-I141 PolarHBondContact O-N 3.45Å; S138-L142 PolarHBondContact O-N 3.48Å; S138-Y159 WeakPolarHBondContact CA-OH 3.49Å; S138-E164 VanDerWaalsContact CB-OE1 3.32Å; S138-E164 WeakPolarHBondContact CB-OE1 3.29Å; S138-E164 PolarHBondContact OG-OE1 3.5Å; S138-H209 WeakPolarHBondContact CB-ND1 3.35Å; S138-H209 PolarHBondContact N-ND1 3.28Å | ||
| 139 | P | 87.2 | Confident | 87.7 | Confident | 34 Ų | 34 | 27.9 Ų | 27.9 | 22% | 0.221 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -14.8 | 171 | 29.7 | -36.3 | 0 | 0 | 0 | 113.6 | P143 A161 E164 | P139-P143 WeakPolarHBondContact O-CD 3.43Å; P139-P143 VanDerWaalsContact O-CG 3.25Å; P139-P143 WeakPolarHBondContact O-CG 3.31Å; P139-A161 HydrophobicContact CG-CB 3.97Å; P139-E164 WeakPolarHBondContact CD-OE1 3.29Å |
| 140 | D | 82.9 | Confident | 86 | Confident | 72 Ų | 72 | 30.8 Ų | 30.8 | 39% | 0.385 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -18.6 | 178.9 | -74.6 | -12.4 | 0 | 0 | 0 | 113 | S138 | S138-D140 PolarHBondContact O-N 2.93Å; S138-D140 PolarHBondContact OG-N 3.2Å; S138-D140 VanDerWaalsContact OG-N 3.08Å |
| 141 | I | 88.9 | Confident | 84.3 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105 | -51.3 | -177.5 | -62.8 | -59.6 | 0 | 0 | 0 | 112.1 | H98 S138 M144 F145 F207 | H98-I141 HydrophobicContact CB-CG2 4.33Å; S138-I141 PolarHBondContact O-N 3.45Å; I141-M144 HydrophobicContact CB-CE 4.1Å; I141-M144 HydrophobicContact CD1-CE 3.62Å; I141-M144 HydrophobicContact CG1-CE 4.44Å; I141-M144 HydrophobicContact CG2-CE 3.79Å; I141-M144 VanDerWaalsContact O-CE 3.3Å; I141-M144 WeakPolarHBondContact O-CE 3.36Å; I141-M144 VanDerWaalsContact O-CG 3.3Å; I141-M144 WeakPolarHBondContact O-CG 3.4Å; I141-M144 PolarHBondContact O-N 2.87Å; I141-F145 HydrophobicContact CG2-CE2 4.25Å; I141-F207 HydrophobicContact CG2-CE1 4.27Å; I141-F207 HydrophobicContact CG2-CZ 4.41Å |
| 142 | L | 90.7 | Very high | 83.4 | Confident | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -46.9 | -168.8 | -89 | 59.4 | 0 | 0 | 0 | 114.1 | S138 M144 F145 T156 F207 H209 | S138-L142 PolarHBondContact O-N 3.48Å; L142-M144 PolarHBondContact O-N 3.47Å; L142-M144 VanDerWaalsContact O-N 3.15Å; L142-F145 PolarHBondContact O-N 2.98Å; L142-T156 HydrophobicContact CB-CG2 3.98Å; L142-F207 HydrophobicContact CD1-CD1 4.48Å; L142-F207 HydrophobicContact CD1-CE1 4Å; L142-H209 HydrophobicContact CD1-CB 3.99Å |
| 143 | P | 88.3 | Confident | 83.2 | Confident | 52 Ų | 52 | 34.8 Ų | 34.8 | 34% | 0.338 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.9 | -27.4 | -175.1 | -26.6 | 37.5 | 0 | 0 | 0 | 114.1 | P139 F145 A146 K147 | P139-P143 WeakPolarHBondContact O-CD 3.43Å; P139-P143 VanDerWaalsContact O-CG 3.25Å; P139-P143 WeakPolarHBondContact O-CG 3.31Å; P143-F145 PolarHBondContact O-N 2.79Å; P143-A146 PolarHBondContact O-N 3.5Å; P143-K147 WeakPolarHBondContact O-CB 3.49Å; P143-K147 PolarHBondContact O-N 3.04Å |
| 144 | M | 85.3 | Confident | 83 | Confident | 21 Ų | 21 | 35.7 Ų | 35.7 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.6 | -28.9 | -177.2 | 90.7 | 175.8 | 105.7 | 0 | 0 | 112.9 | R95 H98 V99 I141 L142 | R95-M144 HydrophobicContact CB-CE 4.28Å; R95-M144 HydrophobicContact CG-CE 3.82Å; R95-M144 HydrophobicContact CG-SD 3.62Å; H98-M144 HydrophobicContact CB-CE 4.28Å; V99-M144 HydrophobicContact CG2-SD 3.89Å; I141-M144 HydrophobicContact CB-CE 4.1Å; I141-M144 HydrophobicContact CD1-CE 3.62Å; I141-M144 HydrophobicContact CG1-CE 4.44Å; I141-M144 HydrophobicContact CG2-CE 3.79Å; I141-M144 VanDerWaalsContact O-CE 3.3Å; I141-M144 WeakPolarHBondContact O-CE 3.36Å; I141-M144 VanDerWaalsContact O-CG 3.3Å; I141-M144 WeakPolarHBondContact O-CG 3.4Å; I141-M144 PolarHBondContact O-N 2.87Å; L142-M144 PolarHBondContact O-N 3.47Å; L142-M144 VanDerWaalsContact O-N 3.15Å |
| 145 | F | 87.4 | Confident | 82.8 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -92.5 | -16.1 | 179 | -62.3 | -74.8 | 0 | 0 | 0 | 113.2 | H98 V99 I102 F123 F127 I141 L142 P143 | H98-F145 HydrophobicContact CB-CE2 4.01Å; H98-F145 HydrophobicContact CB-CZ 3.94Å; V99-F145 HydrophobicContact CG2-CZ 4.33Å; I102-F145 HydrophobicContact CB-CD1 4.29Å; I102-F145 HydrophobicContact CB-CE1 3.73Å; I102-F145 HydrophobicContact CB-CZ 4.04Å; I102-F145 HydrophobicContact CD1-CD1 4.5Å; I102-F145 HydrophobicContact CD1-CD2 4.11Å; I102-F145 HydrophobicContact CD1-CE1 4.05Å; I102-F145 HydrophobicContact CD1-CE2 3.6Å; I102-F145 HydrophobicContact CD1-CZ 3.59Å; I102-F145 HydrophobicContact CG1-CE1 4.49Å; I102-F145 HydrophobicContact CG1-CZ 4.35Å; I102-F145 HydrophobicContact CG2-CD1 3.89Å; I102-F145 HydrophobicContact CG2-CE1 3.85Å; I102-F145 HydrophobicContact CG2-CZ 4.49Å; F123-F145 HydrophobicContact CE2-CD1 4.02Å; F123-F145 AromaticContact CE2-CE1 3.85Å; F123-F145 HydrophobicContact CE2-CE1 3.85Å; F123-F145 HydrophobicContact CZ-CD1 4.27Å; F123-F145 HydrophobicContact CZ-CE1 4.04Å; F127-F145 HydrophobicContact CD2-CB 3.53Å; F127-F145 HydrophobicContact CD2-CG 4.04Å; F127-F145 HydrophobicContact CE2-CB 4.01Å; F127-F145 HydrophobicContact CE2-CD2 4.28Å; F127-F145 HydrophobicContact CE2-CG 4.12Å; F127-F145 HydrophobicContact CG-CB 4.5Å; I141-F145 HydrophobicContact CG2-CE2 4.25Å; L142-F145 PolarHBondContact O-N 2.98Å; P143-F145 PolarHBondContact O-N 2.79Å |
| 146 | A | 83.6 | Confident | 82.6 | Confident | 30 Ų | 30 | 40.7 Ų | 40.7 | 25% | 0.248 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -82.4 | -33.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | P143 G148 A149 V154 T156 | P143-A146 PolarHBondContact O-N 3.5Å; A146-G148 PolarHBondContact O-N 3.48Å; A146-A149 WeakPolarHBondContact O-CB 3.16Å; A146-A149 PolarHBondContact O-N 2.68Å; A146-A149 VanDerWaalsContact O-N 3.13Å; A146-V154 HydrophobicContact CB-CB 4.43Å; A146-V154 HydrophobicContact CB-CG1 3.98Å; A146-T156 HydrophobicContact CB-CG2 3.81Å |
| 147 | K | 69.3 | Low | 82.5 | Confident | 111 Ų | 111 | 44.9 Ų | 44.9 | 48% | 0.483 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 111.2 | 177.2 | -162.8 | 178.3 | -173.9 | -175.6 | 0 | 109.5 | E118 P143 | E118-K147 IonicContact OE2-NZ 3.48Å; E118-K147 PolarHBondContact OE2-NZ 2.96Å; P143-K147 WeakPolarHBondContact O-CB 3.49Å; P143-K147 PolarHBondContact O-N 3.04Å |
| 148 | G | 60.7 | Low | 82.4 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 38% | 0.381 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102 | -3.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N128 A146 S150 | N128-G148 VanDerWaalsContact ND2-C 3.28Å; N128-G148 PolarHBondContact ND2-O 3.32Å; N128-G148 VanDerWaalsContact ND2-O 3.13Å; A146-G148 PolarHBondContact O-N 3.48Å; G148-S150 PolarHBondContact O-N 3.12Å |
| 149 | A | 64.1 | Low | 82.3 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 16% | 0.157 | 28% | 0.281 | C | S | . | . | trans | -67.5 | 129.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | N128 A146 G151 V154 | N128-A149 VanDerWaalsContact ND2-CA 3.27Å; N128-A149 WeakPolarHBondContact ND2-CA 3.39Å; N128-A149 PolarHBondContact ND2-N 3.22Å; A146-A149 WeakPolarHBondContact O-CB 3.16Å; A146-A149 PolarHBondContact O-N 2.68Å; A146-A149 VanDerWaalsContact O-N 3.13Å; A149-G151 VanDerWaalsContact C-N 3.3Å; A149-G151 PolarHBondContact O-N 2.87Å; A149-V154 HydrophobicContact CB-CB 4.25Å; A149-V154 HydrophobicContact CB-CG2 3.65Å | ||
| 150 | S | 54.9 | Low | 82.1 | Confident | 108 Ų | 108 | 49.7 Ų | 49.7 | 76% | 0.755 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -75.4 | 83.5 | 177.4 | 57 | 0 | 0 | 0 | 0 | 110.2 | G148 | G148-S150 PolarHBondContact O-N 3.12Š|
| 151 | G | 58.8 | Low | 81.8 | Confident | 48 Ų | 48 | 48.7 Ų | 48.7 | 50% | 0.495 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 107.8 | -172.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | A149 H153 | A149-G151 VanDerWaalsContact C-N 3.3Å; A149-G151 PolarHBondContact O-N 2.87Å; G151-H153 VanDerWaalsContact C-N 3.31Å; G151-H153 PolarHBondContact O-N 2.89Å |
| 152 | D | 77.6 | Confident | 80.9 | Confident | 151 Ų | 151 | 56.5 Ų | 56.5 | 81% | 0.807 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 55.2 | -169.8 | -62.4 | -25.5 | 0 | 0 | 0 | 113.4 | Y155 | D152-Y155 VanDerWaalsContact O-CZ 3.29Å; D152-Y155 PolarHBondContact O-OH 3.13Å |
| 153 | H | 91.1 | Very high | 79.9 | Confident | 24 Ų | 24 | 63.7 Ų | 63.7 | 11% | 0.111 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -8.5 | -177.3 | 72.1 | 97.5 | 0 | 0 | 0 | 115.5 | F127 N128 S130 K131 Y132 T133 G151 | F127-H153 PolarHBondContact O-CE1 2.85Å; N128-H153 PolarHBondContact O-CE1 3.1Å; N128-H153 VanDerWaalsContact O-CE1 3.29Å; S130-H153 PolarHBondContact O-ND1 3.38Å; K131-H153 WeakPolarHBondContact O-CB 3.48Å; Y132-H153 WeakPolarHBondContact CA-O 3.12Å; Y132-H153 HydrophobicContact CD1-CB 4.07Å; Y132-H153 HydrophobicContact CE1-CB 4.39Å; T133-H153 PolarHBondContact N-O 2.9Å; G151-H153 VanDerWaalsContact C-N 3.31Å; G151-H153 PolarHBondContact O-N 2.89Å |
| 154 | V | 93.6 | Very high | 78.8 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 11% | 0.109 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 110.5 | 172.2 | -177 | 0 | 0 | 0 | 0 | 108.9 | F127 T133 A146 A149 | F127-V154 HydrophobicContact CB-CG2 4.26Å; T133-V154 HydrophobicContact CG2-CG1 4.22Å; A146-V154 HydrophobicContact CB-CB 4.43Å; A146-V154 HydrophobicContact CB-CG1 3.98Å; A149-V154 HydrophobicContact CB-CB 4.25Å; A149-V154 HydrophobicContact CB-CG2 3.65Å |
| 155 | Y | 94.3 | Very high | 77.7 | Confident | 55 Ų | 55 | 65.9 Ų | 65.9 | 22% | 0.216 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127.7 | -177.4 | -54.6 | -76.1 | 0 | 0 | 0 | 110.6 | Y132 T133 W134 S135 D152 K198 | Y132-Y155 HydrophobicContact CD1-CE2 4.07Å; T133-Y155 WeakPolarHBondContact O-CD2 3.38Å; T133-Y155 PolarHBondContact O-N 3.15Å; W134-Y155 AromaticContact CD1-CD2 3.6Å; W134-Y155 AromaticContact CD1-CG 3.95Å; W134-Y155 HydrophobicContact CD2-CD2 4.33Å; W134-Y155 AromaticContact CE2-CD2 3.75Å; W134-Y155 HydrophobicContact CG-CD2 4.24Å; W134-Y155 HydrophobicContact CZ2-CD2 4.34Å; W134-Y155 HydrophobicContact CZ2-CE2 4.19Å; W134-Y155 AromaticContact NE1-CD2 3.24Å; W134-Y155 AromaticContact NE1-CE2 3.81Å; W134-Y155 AromaticContact NE1-CG 3.88Å; S135-Y155 PolarHBondContact N-O 3.21Å; S135-Y155 PolarHBondContact OG-O 2.83Å; D152-Y155 VanDerWaalsContact O-CZ 3.29Å; D152-Y155 PolarHBondContact O-OH 3.13Å; Y155-K198 PolarHBondContact OH-NZ 3.25Å; Y155-K198 VanDerWaalsContact OH-NZ 3.16Å |
| 156 | T | 93.4 | Very high | 76.3 | Confident | 56 Ų | 56 | 70.6 Ų | 70.6 | 34% | 0.344 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129.5 | -177.5 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | S135 L142 A146 | S135-T156 WeakPolarHBondContact OG-CA 3.13Å; S135-T156 WeakPolarHBondContact OG-CG2 3.22Å; L142-T156 HydrophobicContact CB-CG2 3.98Å; A146-T156 HydrophobicContact CB-CG2 3.81Å |
| 157 | Y | 94.6 | Very high | 74.8 | Confident | 91 Ų | 91 | 71 Ų | 71 | 36% | 0.357 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 112.4 | 174.2 | -57.5 | -88 | 0 | 0 | 0 | 109.6 | S135 W136 G137 W177 | S135-Y157 PolarHBondContact O-N 3.39Å; W136-Y157 VanDerWaalsContact CA-O 3.31Å; W136-Y157 WeakPolarHBondContact CA-O 3.13Å; W136-Y157 VanDerWaalsContact CD1-CB 3.46Å; W136-Y157 AromaticContact CD1-CD2 3.81Å; W136-Y157 AromaticContact CD1-CG 3.88Å; W136-Y157 AromaticContact CE2-CD2 3.91Å; W136-Y157 HydrophobicContact CG-CD2 4.47Å; W136-Y157 HydrophobicContact CZ2-CD2 4.48Å; W136-Y157 AromaticContact NE1-CD2 3.39Å; W136-Y157 AromaticContact NE1-CG 3.74Å; G137-Y157 PolarHBondContact N-O 2.82Å; G137-Y157 VanDerWaalsContact N-O 3.09Å; Y157-W177 WeakPolarHBondContact O-CH2 3.37Å; Y157-W177 WeakPolarHBondContact O-CZ3 3.31Å |
| 158 | S | 92.6 | Very high | 74.4 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 149 | -179.3 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | G137 | G137-S158 WeakPolarHBondContact O-CA 3.41Å; G137-S158 WeakPolarHBondContact O-CB 3.48Å; G137-S158 PolarHBondContact O-OG 3.21Å |
| 159 | Y | 89.4 | Confident | 74.4 | Confident | 9 Ų | 9 | 72.4 Ų | 72.4 | 4% | 0.035 | 40% | 0.398 | C | S | . | . | trans | -73.1 | 165.3 | 162.7 | 43.4 | -107 | 0 | 0 | 0 | 110.5 | S138 E164 L174 W177 V178 L211 | S138-Y159 WeakPolarHBondContact CA-OH 3.49Å; Y159-E164 HydrophobicContact CD2-CG 4.46Å; Y159-E164 HydrophobicContact CE2-CG 3.74Å; Y159-E164 WeakPolarHBondContact CE2-OE1 3.38Å; Y159-L174 HydrophobicContact CD1-CD2 4.28Å; Y159-L174 HydrophobicContact CD2-CD2 4.07Å; Y159-L174 HydrophobicContact CE1-CB 4.15Å; Y159-L174 HydrophobicContact CE1-CD2 4.12Å; Y159-L174 HydrophobicContact CE2-CD2 3.91Å; Y159-L174 HydrophobicContact CG-CD2 4.26Å; Y159-W177 AromaticContact CD1-CD2 3.95Å; Y159-W177 HydrophobicContact CD1-CD2 3.95Å; Y159-W177 AromaticContact CD1-CE3 3.6Å; Y159-W177 HydrophobicContact CD1-CE3 3.6Å; Y159-W177 HydrophobicContact CD1-CG 4.41Å; Y159-W177 HydrophobicContact CD1-CZ3 4.07Å; Y159-W177 HydrophobicContact CE1-CE3 4.42Å; Y159-W177 HydrophobicContact CG-CE3 4.48Å; Y159-V178 HydrophobicContact CE1-CG2 4.4Å; Y159-L211 WeakPolarHBondContact OH-CB 3.41Å; Y159-L211 WeakPolarHBondContact OH-CD2 3.29Å | ||
| 160 | D | 83.3 | Confident | 74.8 | Confident | 89 Ų | 89 | 74.5 Ų | 74.5 | 48% | 0.476 | 41% | 0.406 | S | S | . | . | trans | -64.6 | 134.7 | 175.1 | -171 | -19.1 | 0 | 0 | 0 | 110.4 | Q162 R163 | D160-Q162 PolarHBondContact O-N 2.67Å; D160-Q162 VanDerWaalsContact O-N 3.12Å; D160-Q162 PolarHBondContact OD1-N 2.91Å; D160-Q162 VanDerWaalsContact OD1-N 3.16Å; D160-R163 HydrophobicContact CB-CG 4.38Å; D160-R163 VanDerWaalsContact O-CB 3.3Å; D160-R163 WeakPolarHBondContact O-CB 3.39Å; D160-R163 PolarHBondContact O-N 3.26Å | ||
| 161 | A | 76.1 | Confident | 76 | Confident | 51 Ų | 51 | 69.7 Ų | 69.7 | 42% | 0.421 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -55.7 | -28.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P139 R163 E164 | P139-A161 HydrophobicContact CG-CB 3.97Å; A161-R163 PolarHBondContact O-N 2.89Å; A161-R163 VanDerWaalsContact O-N 3.12Å; A161-E164 PolarHBondContact O-N 2.77Å; A161-E164 VanDerWaalsContact O-N 3.15Å |
| 162 | Q | 69.8 | Low | 77.3 | Confident | 170 Ų | 170 | 68.7 Ų | 68.7 | 79% | 0.794 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -65.3 | -13.6 | 176.1 | -62.2 | -180 | 15.1 | 0 | 0 | 113.8 | D160 | D160-Q162 PolarHBondContact O-N 2.67Å; D160-Q162 VanDerWaalsContact O-N 3.12Å; D160-Q162 PolarHBondContact OD1-N 2.91Å; D160-Q162 VanDerWaalsContact OD1-N 3.16Å |
| 163 | R | 69.6 | Low | 77.7 | Confident | 154 Ų | 154 | 68.1 Ų | 68.1 | 58% | 0.581 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -83.3 | -12.1 | 177.4 | -61.5 | -175.3 | 178.3 | -160 | -1.5 | 113 | D160 A161 D165 L174 | D160-R163 HydrophobicContact CB-CG 4.38Å; D160-R163 VanDerWaalsContact O-CB 3.3Å; D160-R163 WeakPolarHBondContact O-CB 3.39Å; D160-R163 PolarHBondContact O-N 3.26Å; A161-R163 PolarHBondContact O-N 2.89Å; A161-R163 VanDerWaalsContact O-N 3.12Å; R163-D165 PolarHBondContact O-N 2.82Å; R163-L174 HydrophobicContact CB-CD2 4.11Å |
| 164 | E | 66 | Low | 77.7 | Confident | 30 Ų | 30 | 67.5 Ų | 67.5 | 14% | 0.14 | 35% | 0.345 | C | S | . | . | trans | -79.7 | 55.7 | 172.4 | -60.1 | -179.3 | 164.2 | 0 | 0 | 110.7 | S138 P139 Y159 A161 F166 L211 | S138-E164 VanDerWaalsContact CB-OE1 3.32Å; S138-E164 WeakPolarHBondContact CB-OE1 3.29Å; S138-E164 PolarHBondContact OG-OE1 3.5Å; P139-E164 WeakPolarHBondContact CD-OE1 3.29Å; Y159-E164 HydrophobicContact CD2-CG 4.46Å; Y159-E164 HydrophobicContact CE2-CG 3.74Å; Y159-E164 WeakPolarHBondContact CE2-OE1 3.38Å; A161-E164 PolarHBondContact O-N 2.77Å; A161-E164 VanDerWaalsContact O-N 3.15Å; E164-F166 PolarHBondContact O-N 3.07Å; E164-L211 HydrophobicContact CG-CD2 3.87Å; E164-L211 WeakPolarHBondContact OE1-CD2 3.48Å | ||
| 165 | D | 62.5 | Low | 77.7 | Confident | 89 Ų | 89 | 66.6 Ų | 66.6 | 48% | 0.476 | 34% | 0.34 | S | S | . | . | trans | -89.6 | 102.1 | 178 | 178.8 | 9.9 | 0 | 0 | 0 | 110.3 | R163 G167 A168 | R163-D165 PolarHBondContact O-N 2.82Å; D165-G167 PolarHBondContact O-N 3.1Å; D165-G167 VanDerWaalsContact O-N 3.08Å; D165-G167 WeakPolarHBondContact OD1-CA 3.49Å; D165-G167 PolarHBondContact OD1-N 3.21Å; D165-A168 HydrophobicContact CB-CB 3.94Å; D165-A168 VanDerWaalsContact O-CB 3.26Å; D165-A168 WeakPolarHBondContact O-CB 3.32Å; D165-A168 PolarHBondContact O-N 2.99Å | ||
| 166 | F | 57.9 | Low | 77.7 | Confident | 101 Ų | 101 | 65.7 Ų | 65.7 | 44% | 0.443 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -9.6 | 175.1 | -62.4 | -82.2 | 0 | 0 | 0 | 113.9 | E164 T215 H218 A219 | E164-F166 PolarHBondContact O-N 3.07Å; F166-T215 HydrophobicContact CD1-CG2 3.93Å; F166-T215 HydrophobicContact CE1-CG2 4.4Å; F166-H218 HydrophobicContact CD1-CB 3.91Å; F166-H218 HydrophobicContact CE1-CB 4.35Å; F166-H218 AromaticContact CE1-CD2 3.75Å; F166-A219 WeakPolarHBondContact O-CB 3.37Å |
| 167 | G | 51.9 | Low | 77.9 | Confident | 38 Ų | 38 | 65.5 Ų | 65.5 | 39% | 0.392 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -3.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D165 | D165-G167 PolarHBondContact O-N 3.1Å; D165-G167 VanDerWaalsContact O-N 3.08Å; D165-G167 WeakPolarHBondContact OD1-CA 3.49Å; D165-G167 PolarHBondContact OD1-N 3.21Å |
| 168 | A | 59.7 | Low | 78 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 28% | 0.281 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -70.2 | 151.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D165 D170 | D165-A168 HydrophobicContact CB-CB 3.94Å; D165-A168 VanDerWaalsContact O-CB 3.26Å; D165-A168 WeakPolarHBondContact O-CB 3.32Å; D165-A168 PolarHBondContact O-N 2.99Å; A168-D170 VanDerWaalsContact C-N 3.28Å; A168-D170 PolarHBondContact O-N 3.49Å |
| 169 | H | 60.9 | Low | 78.3 | Confident | 144 Ų | 144 | 59.5 Ų | 59.5 | 67% | 0.667 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -71 | -16.8 | -176.5 | -77.7 | 45.9 | 0 | 0 | 0 | 114.7 | K677 | H169-K677 PolarHBondContact CE1-O 3.34Š|
| 170 | D | 72.9 | Confident | 78.7 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | trans | -153.8 | 93 | -174.1 | -178.7 | 14.6 | 0 | 0 | 0 | 112.2 | A168 T172 K173 | A168-D170 VanDerWaalsContact C-N 3.28Å; A168-D170 PolarHBondContact O-N 3.49Å; D170-T172 VanDerWaalsContact C-N 3.29Å; D170-T172 VanDerWaalsContact OD1-CB 3.3Å; D170-T172 WeakPolarHBondContact OD1-CB 3.33Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.47Å; D170-T172 PolarHBondContact OD1-N 3.03Å; D170-T172 VanDerWaalsContact OD1-N 3.09Å; D170-T172 PolarHBondContact OD1-OG1 2.64Å; D170-K173 HydrophobicContact CB-CD 4.48Å; D170-K173 VanDerWaalsContact OD2-CE 3.32Å; D170-K173 WeakPolarHBondContact OD2-CE 3.39Å | ||
| 171 | A | 81 | Confident | 79.4 | Confident | 7 Ų | 7 | 61.6 Ų | 61.6 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -11.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K173 L174 T215 | A171-K173 PolarHBondContact O-N 3.29Å; A171-L174 PolarHBondContact O-N 3.23Å; A171-L174 VanDerWaalsContact O-N 3.09Å; A171-T215 HydrophobicContact CB-CG2 3.5Å; A171-T215 VanDerWaalsContact CB-CG2 3.5Å |
| 172 | T | 84.3 | Confident | 80.4 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 17% | 0.172 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -16.5 | 178.8 | 73.8 | 0 | 0 | 0 | 0 | 112.5 | D170 L174 D175 T176 N230 | D170-T172 VanDerWaalsContact C-N 3.29Å; D170-T172 VanDerWaalsContact OD1-CB 3.3Å; D170-T172 WeakPolarHBondContact OD1-CB 3.33Å; D170-T172 WeakPolarHBondContact OD1-CG2 3.47Å; D170-T172 PolarHBondContact OD1-N 3.03Å; D170-T172 VanDerWaalsContact OD1-N 3.09Å; D170-T172 PolarHBondContact OD1-OG1 2.64Å; T172-L174 PolarHBondContact O-N 3.38Å; T172-D175 PolarHBondContact O-N 2.85Å; T172-T176 WeakPolarHBondContact O-CB 3.46Å; T172-T176 PolarHBondContact O-N 2.91Å; T172-T176 PolarHBondContact O-OG1 2.91Å; T172-N230 HydrophobicContact CG2-CB 4.09Å; T172-N230 VanDerWaalsContact CG2-OD1 3.31Å; T172-N230 WeakPolarHBondContact CG2-OD1 3.36Å |
| 173 | K | 87.9 | Confident | 81.8 | Confident | 139 Ų | 139 | 53.1 Ų | 53.1 | 60% | 0.604 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63 | -29.2 | 175.3 | -67.1 | 176.6 | -178.2 | 170.3 | 0 | 112.9 | D170 A171 W177 | D170-K173 HydrophobicContact CB-CD 4.48Å; D170-K173 VanDerWaalsContact OD2-CE 3.32Å; D170-K173 WeakPolarHBondContact OD2-CE 3.39Å; A171-K173 PolarHBondContact O-N 3.29Å; K173-W177 VanDerWaalsContact O-CB 3.31Å; K173-W177 WeakPolarHBondContact O-CB 3.26Å; K173-W177 PolarHBondContact O-N 3.13Å |
| 174 | L | 89.7 | Confident | 83.1 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.7 | -47.5 | 176.6 | -60.3 | 178.5 | 0 | 0 | 0 | 110.2 | Y159 R163 A171 T172 W177 V178 L211 | Y159-L174 HydrophobicContact CD1-CD2 4.28Å; Y159-L174 HydrophobicContact CD2-CD2 4.07Å; Y159-L174 HydrophobicContact CE1-CB 4.15Å; Y159-L174 HydrophobicContact CE1-CD2 4.12Å; Y159-L174 HydrophobicContact CE2-CD2 3.91Å; Y159-L174 HydrophobicContact CG-CD2 4.26Å; R163-L174 HydrophobicContact CB-CD2 4.11Å; A171-L174 PolarHBondContact O-N 3.23Å; A171-L174 VanDerWaalsContact O-N 3.09Å; T172-L174 PolarHBondContact O-N 3.38Å; L174-W177 WeakPolarHBondContact O-CB 3.26Å; L174-W177 PolarHBondContact O-N 2.97Å; L174-V178 PolarHBondContact O-N 2.96Å; L174-L211 HydrophobicContact CD1-CB 4.31Å; L174-L211 HydrophobicContact CD1-CD2 4.13Å; L174-L211 HydrophobicContact CD1-CG 4.28Å |
| 175 | D | 94.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.3 | -42.8 | 177.1 | -55.5 | -29 | 0 | 0 | 0 | 111.2 | T172 W177 V178 F179 L210 L211 G212 N230 V234 | T172-D175 PolarHBondContact O-N 2.85Å; D175-W177 VanDerWaalsContact C-N 3.31Å; D175-W177 PolarHBondContact O-N 2.82Å; D175-V178 WeakPolarHBondContact O-CB 3.15Å; D175-V178 PolarHBondContact O-N 3.06Å; D175-V178 VanDerWaalsContact O-N 3.13Å; D175-F179 HydrophobicContact CB-CE2 4.09Å; D175-F179 WeakPolarHBondContact O-CD2 3.48Å; D175-F179 WeakPolarHBondContact O-CG 3.31Å; D175-F179 PolarHBondContact O-N 2.86Å; D175-L210 HydrophobicContact CB-CD2 4.27Å; D175-L210 VanDerWaalsContact OD1-CA 3.24Å; D175-L210 WeakPolarHBondContact OD1-CA 3.49Å; D175-L210 WeakPolarHBondContact OD1-CB 3.47Å; D175-L211 PolarHBondContact OD1-N 2.8Å; D175-L211 VanDerWaalsContact OD1-N 3.08Å; D175-G212 PolarHBondContact OD1-N 3.35Å; D175-G212 WeakPolarHBondContact OD2-CA 3.49Å; D175-G212 PolarHBondContact OD2-N 3.42Å; D175-N230 PolarHBondContact OD2-ND2 3.1Å; D175-V234 HydrophobicContact CB-CG2 4.27Å; D175-V234 WeakPolarHBondContact OD2-CG2 3.26Å |
| 176 | T | 94.4 | Very high | 86.2 | Confident | 36 Ų | 36 | 44.9 Ų | 44.9 | 22% | 0.221 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 177.8 | -53.7 | 0 | 0 | 0 | 0 | 111.2 | T172 V178 F179 D180 | T172-T176 WeakPolarHBondContact O-CB 3.46Å; T172-T176 PolarHBondContact O-N 2.91Å; T172-T176 PolarHBondContact O-OG1 2.91Å; T176-V178 VanDerWaalsContact C-N 3.31Å; T176-V178 PolarHBondContact O-N 2.82Å; T176-F179 PolarHBondContact O-N 3.3Å; T176-D180 WeakPolarHBondContact O-CB 3.47Å; T176-D180 VanDerWaalsContact O-CG 3.25Å; T176-D180 PolarHBondContact O-N 2.76Å |
| 177 | W | 95.9 | Very high | 88.1 | Confident | 51 Ų | 51 | 44.2 Ų | 44.2 | 19% | 0.193 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -42.1 | 174.6 | -178.8 | 95.8 | 0 | 0 | 0 | 112 | Y157 Y159 K173 L174 D175 D180 K181 | Y157-W177 WeakPolarHBondContact O-CH2 3.37Å; Y157-W177 WeakPolarHBondContact O-CZ3 3.31Å; Y159-W177 AromaticContact CD1-CD2 3.95Å; Y159-W177 HydrophobicContact CD1-CD2 3.95Å; Y159-W177 AromaticContact CD1-CE3 3.6Å; Y159-W177 HydrophobicContact CD1-CE3 3.6Å; Y159-W177 HydrophobicContact CD1-CG 4.41Å; Y159-W177 HydrophobicContact CD1-CZ3 4.07Å; Y159-W177 HydrophobicContact CE1-CE3 4.42Å; Y159-W177 HydrophobicContact CG-CE3 4.48Å; K173-W177 VanDerWaalsContact O-CB 3.31Å; K173-W177 WeakPolarHBondContact O-CB 3.26Å; K173-W177 PolarHBondContact O-N 3.13Å; L174-W177 WeakPolarHBondContact O-CB 3.26Å; L174-W177 PolarHBondContact O-N 2.97Å; D175-W177 VanDerWaalsContact C-N 3.31Å; D175-W177 PolarHBondContact O-N 2.82Å; W177-D180 PolarHBondContact O-N 3.4Å; W177-K181 HydrophobicContact CD2-CG 3.89Å; W177-K181 HydrophobicContact CE3-CG 4.02Å; W177-K181 HydrophobicContact CH2-CD 4.44Å; W177-K181 HydrophobicContact CH2-CG 3.84Å; W177-K181 HydrophobicContact CZ2-CD 4.07Å; 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 3.39Å; W177-K181 VanDerWaalsContact O-CG 3.27Å; W177-K181 WeakPolarHBondContact O-CG 3.31Å; W177-K181 PolarHBondContact O-N 2.88Å |
| 178 | V | 97.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.5 | -49.2 | 177.4 | 169.1 | 0 | 0 | 0 | 0 | 110.3 | W136 Y159 L174 D175 T176 D180 K181 V182 L208 L210 | W136-V178 HydrophobicContact CB-CG1 3.84Å; W136-V178 HydrophobicContact CB-CG2 4.4Å; Y159-V178 HydrophobicContact CE1-CG2 4.4Å; L174-V178 PolarHBondContact O-N 2.96Å; D175-V178 WeakPolarHBondContact O-CB 3.15Å; D175-V178 PolarHBondContact O-N 3.06Å; D175-V178 VanDerWaalsContact O-N 3.13Å; T176-V178 VanDerWaalsContact C-N 3.31Å; T176-V178 PolarHBondContact O-N 2.82Å; V178-D180 PolarHBondContact O-N 3.31Å; V178-K181 PolarHBondContact O-N 3.31Å; V178-V182 WeakPolarHBondContact O-CG2 3.43Å; V178-V182 PolarHBondContact O-N 3.32Å; V178-V182 VanDerWaalsContact O-N 3.07Å; V178-L208 HydrophobicContact CG1-CB 4Å; V178-L208 HydrophobicContact CG1-CD2 3.99Å; V178-L208 HydrophobicContact CG1-CG 4.12Å; V178-L210 HydrophobicContact CB-CD2 4Å; V178-L210 HydrophobicContact CG1-CD2 3.75Å |
| 179 | F | 98.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.1 | -44.4 | 178.3 | -61.5 | -46.4 | 0 | 0 | 0 | 112.5 | D175 T176 K181 V182 K183 L208 L210 V238 I241 | D175-F179 HydrophobicContact CB-CE2 4.09Å; D175-F179 WeakPolarHBondContact O-CD2 3.48Å; D175-F179 WeakPolarHBondContact O-CG 3.31Å; D175-F179 PolarHBondContact O-N 2.86Å; T176-F179 PolarHBondContact O-N 3.3Å; F179-K181 VanDerWaalsContact C-N 3.33Å; F179-K181 PolarHBondContact O-N 2.86Å; F179-V182 PolarHBondContact O-N 2.98Å; F179-K183 WeakPolarHBondContact O-CG 3.3Å; F179-K183 PolarHBondContact O-N 3.3Å; F179-L208 HydrophobicContact CD1-CD2 4.24Å; F179-L208 HydrophobicContact CE1-CD2 4.35Å; F179-L210 HydrophobicContact CD1-CD2 4.46Å; F179-L210 HydrophobicContact CE1-CD1 4.11Å; F179-L210 HydrophobicContact CE1-CD2 3.81Å; F179-L210 HydrophobicContact CE2-CD2 4.32Å; F179-L210 HydrophobicContact CZ-CD1 3.77Å; F179-L210 HydrophobicContact CZ-CD2 3.73Å; F179-L210 HydrophobicContact CZ-CG 4.43Å; F179-V238 HydrophobicContact CE1-CG2 4.49Å; F179-V238 HydrophobicContact CZ-CG2 4.42Å; F179-I241 HydrophobicContact CB-CD1 4.32Å; F179-I241 HydrophobicContact CD1-CD1 4.16Å; F179-I241 HydrophobicContact CD1-CG1 3.54Å; F179-I241 HydrophobicContact CE1-CG1 4.14Å; F179-I241 HydrophobicContact CG-CG1 4.42Å |
| 180 | D | 97.6 | Very high | 93.4 | Very high | 70 Ų | 70 | 42 Ų | 42 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.6 | -38.8 | 178.3 | -70 | -17.4 | 0 | 0 | 0 | 111.7 | T176 W177 V178 V182 K183 D184 | T176-D180 WeakPolarHBondContact O-CB 3.47Å; T176-D180 VanDerWaalsContact O-CG 3.25Å; T176-D180 PolarHBondContact O-N 2.76Å; W177-D180 PolarHBondContact O-N 3.4Å; V178-D180 PolarHBondContact O-N 3.31Å; D180-V182 VanDerWaalsContact C-N 3.34Å; D180-V182 PolarHBondContact O-N 2.75Å; D180-K183 WeakPolarHBondContact O-CB 3.43Å; D180-K183 PolarHBondContact O-N 3.33Å; D180-K183 IonicContact OD1-NZ 3Å; D180-D184 VanDerWaalsContact O-CG 3.29Å; D180-D184 PolarHBondContact O-N 2.92Å |
| 181 | K | 97.5 | Very high | 94.4 | Very high | 72 Ų | 72 | 46 Ų | 46 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -66.8 | -34.1 | 176.3 | -75 | -73.4 | 151.1 | -130.6 | 0 | 113.3 | W177 V178 F179 D184 F185 | W177-K181 HydrophobicContact CD2-CG 3.89Å; W177-K181 HydrophobicContact CE3-CG 4.02Å; W177-K181 HydrophobicContact CH2-CD 4.44Å; W177-K181 HydrophobicContact CH2-CG 3.84Å; W177-K181 HydrophobicContact CZ2-CD 4.07Å; 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 3.39Å; W177-K181 VanDerWaalsContact O-CG 3.27Å; W177-K181 WeakPolarHBondContact O-CG 3.31Å; W177-K181 PolarHBondContact O-N 2.88Å; V178-K181 PolarHBondContact O-N 3.31Å; F179-K181 VanDerWaalsContact C-N 3.33Å; F179-K181 PolarHBondContact O-N 2.86Å; K181-D184 IonicContact NZ-OD2 2.7Å; K181-D184 PolarHBondContact NZ-OD2 3.47Å; K181-F185 VanDerWaalsContact O-CB 3.23Å; K181-F185 WeakPolarHBondContact O-CB 3.2Å; K181-F185 PolarHBondContact O-N 3.26Å |
| 182 | V | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.5 | -39.4 | 173.6 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | W136 V178 F179 D180 F185 F186 L208 I241 F245 | W136-V182 HydrophobicContact CD2-CG2 3.61Å; W136-V182 HydrophobicContact CE3-CG2 3.61Å; W136-V182 HydrophobicContact CG-CG2 4.1Å; W136-V182 HydrophobicContact CH2-CG2 4.23Å; W136-V182 HydrophobicContact CZ2-CG2 4.27Å; W136-V182 HydrophobicContact CZ3-CG2 3.92Å; V178-V182 WeakPolarHBondContact O-CG2 3.43Å; V178-V182 PolarHBondContact O-N 3.32Å; V178-V182 VanDerWaalsContact O-N 3.07Å; F179-V182 PolarHBondContact O-N 2.98Å; D180-V182 VanDerWaalsContact C-N 3.34Å; D180-V182 PolarHBondContact O-N 2.75Å; V182-F185 WeakPolarHBondContact O-CB 3.42Å; V182-F185 PolarHBondContact O-N 2.8Å; V182-F186 HydrophobicContact CG1-CD2 3.84Å; V182-F186 HydrophobicContact CG1-CE2 3.89Å; V182-F186 WeakPolarHBondContact O-CD2 3.24Å; V182-F186 PolarHBondContact O-N 3.26Å; V182-L208 HydrophobicContact CG2-CD2 3.79Å; V182-L208 HydrophobicContact CG2-CG 4.12Å; V182-I241 HydrophobicContact CB-CD1 3.98Å; V182-I241 HydrophobicContact CG1-CD1 3.83Å; V182-I241 HydrophobicContact CG1-CG2 4.2Å; V182-F245 HydrophobicContact CG1-CE2 4.33Å |
| 183 | K | 98.1 | Very high | 95.6 | Very high | 44 Ų | 44 | 55 Ų | 55 | 19% | 0.191 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -54 | 173.6 | -65.9 | 169.5 | -161.3 | -175.9 | 0 | 111.3 | F179 D180 F185 F186 D187 E240 I241 I244 | F179-K183 WeakPolarHBondContact O-CG 3.3Å; F179-K183 PolarHBondContact O-N 3.3Å; D180-K183 WeakPolarHBondContact O-CB 3.43Å; D180-K183 PolarHBondContact O-N 3.33Å; D180-K183 IonicContact OD1-NZ 3Å; K183-F185 PolarHBondContact O-N 3.26Å; K183-F186 PolarHBondContact O-N 2.92Å; K183-F186 VanDerWaalsContact O-N 3.17Å; K183-D187 PolarHBondContact O-N 3.31Å; K183-E240 WeakPolarHBondContact CE-OE1 3.38Å; K183-E240 VanDerWaalsContact CE-OE2 3.28Å; K183-E240 WeakPolarHBondContact CE-OE2 3.23Å; K183-E240 IonicContact NZ-OE1 3.75Å; K183-E240 PolarHBondContact NZ-OE1 2.86Å; K183-E240 IonicContact NZ-OE2 3.59Å; K183-E240 PolarHBondContact NZ-OE2 3.06Å; K183-I241 HydrophobicContact CG-CD1 4.48Å; K183-I244 HydrophobicContact CG-CD1 3.58Å |
| 184 | D | 97.3 | Very high | 95.9 | Very high | 83 Ų | 83 | 51.9 Ų | 51.9 | 44% | 0.444 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -52 | -43.5 | 176 | -71.3 | -16.4 | 0 | 0 | 0 | 111.2 | D180 K181 D187 A188 | D180-D184 VanDerWaalsContact O-CG 3.29Å; D180-D184 PolarHBondContact O-N 2.92Å; K181-D184 IonicContact NZ-OD2 2.7Å; K181-D184 PolarHBondContact NZ-OD2 3.47Å; D184-D187 PolarHBondContact O-N 2.9Å; D184-A188 VanDerWaalsContact O-CB 3.31Å; D184-A188 WeakPolarHBondContact O-CB 3.36Å; D184-A188 PolarHBondContact O-N 3.32Å |
| 185 | F | 97.8 | Very high | 96.2 | Very high | 16 Ų | 16 | 52.9 Ų | 52.9 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.4 | -47.1 | -179.1 | 175.4 | -92.9 | 0 | 0 | 0 | 112.5 | W134 W136 K181 V182 K183 A188 A189 L195 V199 F206 | W134-F185 AromaticContact CD1-CE2 3.47Å; W134-F185 VanDerWaalsContact CD1-CE2 3.47Å; W134-F185 AromaticContact CD1-CZ 3.61Å; W134-F185 HydrophobicContact CD2-CE2 4.4Å; W134-F185 AromaticContact CD2-CZ 3.76Å; W134-F185 HydrophobicContact CD2-CZ 3.76Å; W134-F185 AromaticContact CE2-CZ 3.68Å; W134-F185 HydrophobicContact CE3-CZ 4.49Å; W134-F185 HydrophobicContact CG-CE2 4.02Å; W134-F185 AromaticContact CG-CZ 3.74Å; W134-F185 HydrophobicContact CG-CZ 3.74Å; W134-F185 HydrophobicContact CZ2-CZ 4.37Å; W134-F185 AromaticContact NE1-CE2 3.55Å; W134-F185 AromaticContact NE1-CZ 3.58Å; W136-F185 HydrophobicContact CH2-CD1 4.09Å; W136-F185 HydrophobicContact CH2-CE1 4.31Å; W136-F185 HydrophobicContact CH2-CG 4.29Å; W136-F185 HydrophobicContact CZ2-CB 3.95Å; W136-F185 AromaticContact CZ2-CD1 3.94Å; W136-F185 HydrophobicContact CZ2-CD1 3.94Å; W136-F185 AromaticContact CZ2-CD2 3.91Å; W136-F185 HydrophobicContact CZ2-CD2 3.91Å; W136-F185 HydrophobicContact CZ2-CE1 4.42Å; W136-F185 HydrophobicContact CZ2-CE2 4.38Å; W136-F185 AromaticContact CZ2-CG 3.66Å; W136-F185 HydrophobicContact CZ2-CG 3.66Å; K181-F185 VanDerWaalsContact O-CB 3.23Å; K181-F185 WeakPolarHBondContact O-CB 3.2Å; K181-F185 PolarHBondContact O-N 3.26Å; V182-F185 WeakPolarHBondContact O-CB 3.42Å; V182-F185 PolarHBondContact O-N 2.8Å; K183-F185 PolarHBondContact O-N 3.26Å; F185-A188 PolarHBondContact O-N 3.47Å; F185-A189 WeakPolarHBondContact O-CB 3.29Å; F185-A189 PolarHBondContact O-N 2.94Å; F185-L195 HydrophobicContact CD2-CD2 4.27Å; F185-L195 HydrophobicContact CE2-CD1 3.8Å; F185-L195 HydrophobicContact CE2-CD2 3.88Å; F185-L195 HydrophobicContact CE2-CG 4.35Å; F185-L195 HydrophobicContact CZ-CD1 3.75Å; F185-L195 HydrophobicContact CZ-CD2 4.21Å; F185-L195 HydrophobicContact CZ-CG 4.29Å; F185-V199 HydrophobicContact CE1-CG1 3.79Å; F185-V199 HydrophobicContact CZ-CG1 3.68Å; F185-F206 HydrophobicContact CE1-CE1 4.02Å |
| 186 | F | 97.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.4 | -31.9 | 179.3 | -83.7 | -75 | 0 | 0 | 0 | 112.6 | V182 K183 A189 R190 F206 I244 F245 F248 Y249 | V182-F186 HydrophobicContact CG1-CD2 3.84Å; V182-F186 HydrophobicContact CG1-CE2 3.89Å; V182-F186 WeakPolarHBondContact O-CD2 3.24Å; V182-F186 PolarHBondContact O-N 3.26Å; K183-F186 PolarHBondContact O-N 2.92Å; K183-F186 VanDerWaalsContact O-N 3.17Å; F186-A189 PolarHBondContact O-N 3.4Å; F186-R190 WeakPolarHBondContact O-CG 3.49Å; F186-R190 PolarHBondContact O-N 3.29Å; F186-F206 HydrophobicContact CE2-CE1 4.49Å; F186-F206 HydrophobicContact CZ-CD1 4.47Å; F186-F206 AromaticContact CZ-CE1 3.91Å; F186-F206 HydrophobicContact CZ-CE1 3.91Å; F186-F206 AromaticContact CZ-CZ 3.99Å; F186-F206 HydrophobicContact CZ-CZ 3.99Å; F186-I244 HydrophobicContact CB-CG2 3.98Å; F186-I244 HydrophobicContact CD2-CG2 4.03Å; F186-I244 HydrophobicContact CG-CG2 4.01Å; F186-F245 HydrophobicContact CD2-CE2 4.44Å; F186-F245 HydrophobicContact CE2-CD2 4.1Å; F186-F245 HydrophobicContact CE2-CE1 4.08Å; F186-F245 AromaticContact CE2-CE2 3.45Å; F186-F245 HydrophobicContact CE2-CE2 3.45Å; F186-F245 VanDerWaalsContact CE2-CE2 3.45Å; F186-F245 AromaticContact CE2-CZ 3.44Å; F186-F245 HydrophobicContact CE2-CZ 3.44Å; F186-F245 VanDerWaalsContact CE2-CZ 3.44Å; F186-F245 HydrophobicContact CZ-CD1 4.13Å; F186-F245 HydrophobicContact CZ-CD2 4.32Å; F186-F245 AromaticContact CZ-CE1 3.56Å; F186-F245 HydrophobicContact CZ-CE1 3.56Å; F186-F245 AromaticContact CZ-CE2 3.81Å; F186-F245 HydrophobicContact CZ-CE2 3.81Å; F186-F245 HydrophobicContact CZ-CG 4.48Å; F186-F245 AromaticContact CZ-CZ 3.4Å; F186-F245 HydrophobicContact CZ-CZ 3.4Å; 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 3.66Å; F186-F248 HydrophobicContact CD1-CD2 3.66Å; F186-F248 HydrophobicContact CD1-CE1 4.04Å; F186-F248 AromaticContact CD1-CE2 3.88Å; F186-F248 HydrophobicContact CD1-CE2 3.88Å; 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 3.8Å; F186-F248 HydrophobicContact CE1-CD1 3.8Å; F186-F248 HydrophobicContact CE1-CD2 4.46Å; F186-F248 HydrophobicContact CE1-CE1 4.02Å; F186-F248 HydrophobicContact CE1-CG 4.04Å; F186-F248 HydrophobicContact CE1-CZ 4.44Å; F186-Y249 HydrophobicContact CE1-CE2 4.07Å; F186-Y249 HydrophobicContact CZ-CE2 4.39Å |
| 187 | D | 96.2 | Very high | 96.4 | Very high | 86 Ų | 86 | 58.1 Ų | 58.1 | 46% | 0.46 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 172 | -74.5 | -20.3 | 0 | 0 | 0 | 111.6 | K183 D184 R190 N191 | K183-D187 PolarHBondContact O-N 3.31Å; D184-D187 PolarHBondContact O-N 2.9Å; D187-R190 PolarHBondContact O-N 3.44Å; D187-N191 PolarHBondContact O-ND2 3.25Å |
| 188 | A | 95.8 | Very high | 96.4 | Very high | 50 Ų | 50 | 58.6 Ų | 58.6 | 41% | 0.413 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D184 F185 R190 N191 N192 | D184-A188 VanDerWaalsContact O-CB 3.31Å; D184-A188 WeakPolarHBondContact O-CB 3.36Å; D184-A188 PolarHBondContact O-N 3.32Å; F185-A188 PolarHBondContact O-N 3.47Å; A188-R190 VanDerWaalsContact C-N 3.27Å; A188-R190 PolarHBondContact O-N 3.07Å; A188-N191 PolarHBondContact O-N 3.38Å; A188-N191 VanDerWaalsContact O-N 3.07Å; A188-N192 WeakPolarHBondContact O-CB 3.4Å; A188-N192 PolarHBondContact O-N 2.89Å |
| 189 | A | 95.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.6 | -33.3 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | F185 F186 N191 L195 F196 V199 F248 | F185-A189 WeakPolarHBondContact O-CB 3.29Å; F185-A189 PolarHBondContact O-N 2.94Å; F186-A189 PolarHBondContact O-N 3.4Å; A189-N191 PolarHBondContact O-N 3.25Å; A189-L195 HydrophobicContact CB-CD2 3.86Å; A189-L195 HydrophobicContact CB-CG 3.91Å; A189-F196 WeakPolarHBondContact O-CB 3.47Å; A189-V199 HydrophobicContact CB-CG2 4.44Å; A189-F248 HydrophobicContact CB-CE2 4.06Å; A189-F248 HydrophobicContact CB-CZ 3.97Å |
| 190 | R | 93.9 | Very high | 96.2 | Very high | 120 Ų | 120 | 60.8 Ų | 60.8 | 45% | 0.453 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63 | -30.9 | 174.7 | -68 | 176.4 | -167.6 | -164.6 | 4 | 113.2 | F186 D187 A188 F248 | F186-R190 WeakPolarHBondContact O-CG 3.49Å; F186-R190 PolarHBondContact O-N 3.29Å; D187-R190 PolarHBondContact O-N 3.44Å; A188-R190 VanDerWaalsContact C-N 3.27Å; A188-R190 PolarHBondContact O-N 3.07Å; R190-F248 HydrophobicContact CG-CD2 4.04Å; R190-F248 HydrophobicContact CG-CE2 3.74Å |
| 191 | N | 93.8 | Very high | 96.1 | Very high | 147 Ų | 147 | 60.5 Ų | 60.5 | 79% | 0.786 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -103.4 | -7.2 | -173.5 | -62.1 | -57.8 | 0 | 0 | 0 | 113.2 | D187 A188 A189 | D187-N191 PolarHBondContact O-ND2 3.25Å; A188-N191 PolarHBondContact O-N 3.38Å; A188-N191 VanDerWaalsContact O-N 3.07Å; A189-N191 PolarHBondContact O-N 3.25Å |
| 192 | N | 95.4 | Very high | 96.1 | Very high | 80 Ų | 80 | 61.3 Ų | 61.3 | 43% | 0.428 | 32% | 0.316 | S | S | . | . | trans | -115.9 | 103.3 | -179.7 | -178 | -28.6 | 0 | 0 | 0 | 110.3 | A188 S194 L195 F196 | A188-N192 WeakPolarHBondContact O-CB 3.4Å; A188-N192 PolarHBondContact O-N 2.89Å; N192-S194 VanDerWaalsContact C-N 3.26Å; N192-S194 PolarHBondContact O-N 3.45Å; N192-S194 WeakPolarHBondContact OD1-CB 3.46Å; N192-S194 PolarHBondContact OD1-N 3.06Å; N192-S194 VanDerWaalsContact OD1-N 3.11Å; N192-L195 HydrophobicContact CB-CB 3.98Å; N192-L195 PolarHBondContact O-N 3.49Å; N192-L195 VanDerWaalsContact O-N 3.12Å; N192-L195 PolarHBondContact OD1-N 3Å; N192-L195 VanDerWaalsContact OD1-N 3.12Å; N192-F196 WeakPolarHBondContact O-CB 3.07Å; N192-F196 PolarHBondContact O-N 3.24Å | ||
| 193 | Q | 94.5 | Very high | 96 | Very high | 142 Ų | 142 | 65 Ų | 65 | 66% | 0.664 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -57.3 | -36.2 | -176.1 | -170.2 | 62.7 | 36 | 0 | 0 | 113.8 | T197 | Q193-T197 WeakPolarHBondContact O-CB 3.48Å; Q193-T197 PolarHBondContact O-N 2.8Å; Q193-T197 PolarHBondContact O-OG1 3.08Å |
| 194 | S | 94.7 | Very high | 96 | Very high | 75 Ų | 75 | 63 Ų | 63 | 52% | 0.524 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.9 | -47.9 | 178.2 | 179.3 | 0 | 0 | 0 | 0 | 110.5 | N192 T197 K198 | N192-S194 VanDerWaalsContact C-N 3.26Å; N192-S194 PolarHBondContact O-N 3.45Å; N192-S194 WeakPolarHBondContact OD1-CB 3.46Å; N192-S194 PolarHBondContact OD1-N 3.06Å; N192-S194 VanDerWaalsContact OD1-N 3.11Å; S194-T197 PolarHBondContact O-N 2.98Å; S194-K198 WeakPolarHBondContact O-CG 3.31Å; S194-K198 PolarHBondContact O-N 3.4Å; S194-K198 VanDerWaalsContact O-N 3.1Å |
| 195 | L | 94.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 59 Ų | 59 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.8 | -45 | 177.3 | -174.6 | 57.5 | 0 | 0 | 0 | 111.4 | W134 F185 A189 N192 T197 K198 V199 | W134-L195 HydrophobicContact CZ2-CD1 4.02Å; F185-L195 HydrophobicContact CD2-CD2 4.27Å; F185-L195 HydrophobicContact CE2-CD1 3.8Å; F185-L195 HydrophobicContact CE2-CD2 3.88Å; F185-L195 HydrophobicContact CE2-CG 4.35Å; F185-L195 HydrophobicContact CZ-CD1 3.75Å; F185-L195 HydrophobicContact CZ-CD2 4.21Å; F185-L195 HydrophobicContact CZ-CG 4.29Å; A189-L195 HydrophobicContact CB-CD2 3.86Å; A189-L195 HydrophobicContact CB-CG 3.91Å; N192-L195 HydrophobicContact CB-CB 3.98Å; N192-L195 PolarHBondContact O-N 3.49Å; N192-L195 VanDerWaalsContact O-N 3.12Å; N192-L195 PolarHBondContact OD1-N 3Å; N192-L195 VanDerWaalsContact OD1-N 3.12Å; L195-T197 PolarHBondContact O-N 2.93Å; L195-K198 PolarHBondContact O-N 3.18Å; L195-K198 VanDerWaalsContact O-N 3.14Å; L195-V199 HydrophobicContact CD1-CG1 3.98Å; L195-V199 HydrophobicContact CG-CG1 4.29Å; L195-V199 WeakPolarHBondContact O-CG1 3.46Å; L195-V199 WeakPolarHBondContact O-CG2 3.23Å; L195-V199 PolarHBondContact O-N 2.73Å |
| 196 | F | 96.6 | Very high | 96.1 | Very high | 75 Ų | 75 | 58.2 Ų | 58.2 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -53.4 | -43.6 | 176.2 | -169.8 | -96.8 | 0 | 0 | 0 | 111.9 | A189 N192 V199 N200 F248 | A189-F196 WeakPolarHBondContact O-CB 3.47Å; N192-F196 WeakPolarHBondContact O-CB 3.07Å; N192-F196 PolarHBondContact O-N 3.24Å; F196-V199 WeakPolarHBondContact O-CG2 3.46Å; F196-N200 WeakPolarHBondContact CE1-ND2 3.23Å; F196-N200 WeakPolarHBondContact CZ-ND2 3.42Å; F196-N200 WeakPolarHBondContact O-CB 3.27Å; F196-N200 PolarHBondContact O-N 2.81Å; F196-N200 PolarHBondContact O-ND2 3.23Å; F196-F248 HydrophobicContact CD2-CE1 4.45Å; F196-F248 HydrophobicContact CD2-CE2 4.24Å; F196-F248 AromaticContact CD2-CZ 3.63Å; F196-F248 HydrophobicContact CD2-CZ 3.63Å; F196-F248 HydrophobicContact CE2-CE1 4.19Å; F196-F248 HydrophobicContact CE2-CE2 4.18Å; F196-F248 AromaticContact CE2-CZ 3.65Å; F196-F248 HydrophobicContact CE2-CZ 3.65Å |
| 197 | T | 96.3 | Very high | 96.2 | Very high | 72 Ų | 72 | 58.2 Ų | 58.2 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.2 | -49.3 | 178.3 | -55.1 | 0 | 0 | 0 | 0 | 110.5 | Q193 S194 L195 V199 N200 E201 | Q193-T197 WeakPolarHBondContact O-CB 3.48Å; Q193-T197 PolarHBondContact O-N 2.8Å; Q193-T197 PolarHBondContact O-OG1 3.08Å; S194-T197 PolarHBondContact O-N 2.98Å; L195-T197 PolarHBondContact O-N 2.93Å; T197-V199 PolarHBondContact O-N 3.11Å; T197-N200 PolarHBondContact O-N 3.04Å; T197-N200 VanDerWaalsContact O-N 3.17Å; T197-E201 PolarHBondContact O-N 2.86Å |
| 198 | K | 96.1 | Very high | 96.3 | Very high | 60 Ų | 60 | 54.1 Ų | 54.1 | 26% | 0.261 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 179.9 | -70.1 | -177.1 | 176.1 | -172.7 | 0 | 112.9 | Y132 W134 Y155 S194 L195 N200 E201 | Y132-K198 HydrophobicContact CD2-CB 4.15Å; Y132-K198 HydrophobicContact CE1-CD 4.13Å; Y132-K198 HydrophobicContact CE1-CG 4.42Å; Y132-K198 HydrophobicContact CE2-CB 3.98Å; Y132-K198 HydrophobicContact CE2-CG 3.94Å; W134-K198 HydrophobicContact CH2-CB 3.87Å; W134-K198 HydrophobicContact CZ2-CB 4.02Å; Y155-K198 PolarHBondContact OH-NZ 3.25Å; Y155-K198 VanDerWaalsContact OH-NZ 3.16Å; S194-K198 WeakPolarHBondContact O-CG 3.31Å; S194-K198 PolarHBondContact O-N 3.4Å; S194-K198 VanDerWaalsContact O-N 3.1Å; L195-K198 PolarHBondContact O-N 3.18Å; L195-K198 VanDerWaalsContact O-N 3.14Å; K198-N200 PolarHBondContact O-N 2.82Å; K198-E201 WeakPolarHBondContact O-CB 3.34Å; K198-E201 PolarHBondContact O-N 3.25Å |
| 199 | V | 96.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.1 | -11.6 | -178.8 | -58.6 | 0 | 0 | 0 | 0 | 113.4 | R45 W134 F185 A189 L195 F196 T197 F206 F248 Y249 | R45-V199 PolarHBondContact NH1-O 2.65Å; W134-V199 HydrophobicContact CE3-CG1 4.39Å; 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 3.79Å; F185-V199 HydrophobicContact CZ-CG1 3.68Å; A189-V199 HydrophobicContact CB-CG2 4.44Å; L195-V199 HydrophobicContact CD1-CG1 3.98Å; L195-V199 HydrophobicContact CG-CG1 4.29Å; L195-V199 WeakPolarHBondContact O-CG1 3.46Å; L195-V199 WeakPolarHBondContact O-CG2 3.23Å; L195-V199 PolarHBondContact O-N 2.73Å; F196-V199 WeakPolarHBondContact O-CG2 3.46Å; T197-V199 PolarHBondContact O-N 3.11Å; V199-F206 HydrophobicContact CB-CZ 4.38Å; V199-F206 HydrophobicContact CG1-CZ 4.49Å; V199-F248 HydrophobicContact CG2-CE1 3.75Å; V199-F248 HydrophobicContact CG2-CZ 3.82Å; V199-Y249 WeakPolarHBondContact O-CE1 3.42Å; V199-Y249 PolarHBondContact O-OH 2.67Å |
| 200 | N | 95.9 | Very high | 96.5 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 28% | 0.283 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 0.7 | 176.7 | -82.2 | -71.1 | 0 | 0 | 0 | 114 | F196 T197 K198 Y249 | F196-N200 WeakPolarHBondContact CE1-ND2 3.23Å; F196-N200 WeakPolarHBondContact CZ-ND2 3.42Å; F196-N200 WeakPolarHBondContact O-CB 3.27Å; F196-N200 PolarHBondContact O-N 2.81Å; F196-N200 PolarHBondContact O-ND2 3.23Å; T197-N200 PolarHBondContact O-N 3.04Å; T197-N200 VanDerWaalsContact O-N 3.17Å; K198-N200 PolarHBondContact O-N 2.82Å; N200-Y249 WeakPolarHBondContact OD1-CD1 3.42Å; N200-Y249 VanDerWaalsContact OD1-CE1 3.3Å; N200-Y249 WeakPolarHBondContact OD1-CE1 3.36Å |
| 201 | E | 96.5 | Very high | 96.5 | Very high | 65 Ų | 65 | 46.6 Ų | 46.6 | 30% | 0.304 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -68.2 | 171.7 | 172.1 | -74.2 | -80.5 | -158.8 | 0 | 0 | 112.5 | K131 Y132 T197 K198 V204 | K131-E201 HydrophobicContact CD-CB 4.18Å; K131-E201 IonicContact NZ-OE1 3.98Å; K131-E201 PolarHBondContact NZ-OE1 3.45Å; K131-E201 IonicContact NZ-OE2 3.72Å; K131-E201 PolarHBondContact NZ-OE2 3.23Å; Y132-E201 HydrophobicContact CD2-CB 4.4Å; Y132-E201 HydrophobicContact CE2-CB 4.46Å; Y132-E201 HydrophobicContact CE2-CG 4.24Å; T197-E201 PolarHBondContact O-N 2.86Å; K198-E201 WeakPolarHBondContact O-CB 3.34Å; K198-E201 PolarHBondContact O-N 3.25Å; E201-V204 HydrophobicContact CB-CG2 4.23Å; E201-V204 WeakPolarHBondContact O-CG2 3.19Å |
| 202 | E | 96.4 | Very high | 96.5 | Very high | 89 Ų | 89 | 39.6 Ų | 39.6 | 42% | 0.416 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -90.1 | 161.5 | 173.5 | -54.2 | -170.7 | 163.5 | 0 | 0 | 111.2 | K44 K131 V204 | K44-E202 HydrophobicContact CB-CG 4.47Å; K44-E202 HydrophobicContact CD-CG 3.99Å; K44-E202 WeakPolarHBondContact CE-OE1 3.28Å; K44-E202 HydrophobicContact CG-CG 4.02Å; K44-E202 IonicContact NZ-OE1 3.58Å; K44-E202 PolarHBondContact NZ-OE1 3.3Å; K44-E202 CarbonylContact O-C 3.58Å; K131-E202 WeakPolarHBondContact CB-O 3.35Å; E202-V204 VanDerWaalsContact C-N 3.32Å |
| 203 | K | 97 | Very high | 96.5 | Very high | 78 Ų | 78 | 35.8 Ų | 35.8 | 34% | 0.339 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 62.3 | 38.2 | -179.2 | -54.8 | 173.7 | 177.2 | -158.1 | 0 | 112.7 | K44 S130 K131 I332 G333 V334 | K44-K203 PolarHBondContact O-N 2.92Å; S130-K203 WeakPolarHBondContact CB-O 3.43Å; K131-K203 HydrophobicContact CB-CB 4.03Å; K131-K203 PolarHBondContact N-O 3.32Å; K203-I332 WeakPolarHBondContact CG-O 3.41Å; K203-G333 WeakPolarHBondContact CE-O 3.27Å; K203-G333 PolarHBondContact NZ-O 3.39Å; K203-V334 HydrophobicContact CB-CG1 3.76Å; K203-V334 HydrophobicContact CD-CG1 3.94Å; K203-V334 HydrophobicContact CG-CG1 3.87Å |
| 204 | V | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 137.4 | -179.9 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | K44 R45 L46 Y132 W134 E201 E202 F206 | K44-V204 PolarHBondContact O-N 3.39Å; R45-V204 CarbonylContact C-O 3.22Å; R45-V204 VanDerWaalsContact CA-O 3.23Å; R45-V204 WeakPolarHBondContact CA-O 3.43Å; R45-V204 HydrophobicContact CB-CB 4.07Å; R45-V204 HydrophobicContact CB-CG1 4.43Å; L46-V204 PolarHBondContact N-O 3.04Å; Y132-V204 WeakPolarHBondContact O-CA 3.5Å; W134-V204 HydrophobicContact CE3-CG1 4Å; W134-V204 HydrophobicContact CZ3-CG1 3.56Å; W134-V204 HydrophobicContact CZ3-CG2 4.43Å; E201-V204 HydrophobicContact CB-CG2 4.23Å; E201-V204 WeakPolarHBondContact O-CG2 3.19Å; E202-V204 VanDerWaalsContact C-N 3.32Å; V204-F206 HydrophobicContact CB-CE2 4.49Å; V204-F206 HydrophobicContact CG1-CD2 3.92Å; V204-F206 HydrophobicContact CG1-CE1 4.42Å; V204-F206 HydrophobicContact CG1-CE2 3.3Å; V204-F206 HydrophobicContact CG1-CZ 3.6Å |
| 205 | V | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.5 | 174.8 | -177.5 | 0 | 0 | 0 | 0 | 110.7 | L46 L126 F127 Y132 T133 W134 I332 | L46-V205 CarbonylContact O-C 3.47Å; L46-V205 WeakPolarHBondContact O-CA 3.25Å; L126-V205 HydrophobicContact CD2-CG1 4.45Å; L126-V205 HydrophobicContact CD2-CG2 4.06Å; L126-V205 HydrophobicContact CG-CG2 4.48Å; F127-V205 HydrophobicContact CD1-CG1 3.97Å; F127-V205 HydrophobicContact CE1-CG1 3.68Å; Y132-V205 PolarHBondContact O-N 3.29Å; T133-V205 VanDerWaalsContact CA-O 3.3Å; T133-V205 WeakPolarHBondContact CA-O 3.41Å; T133-V205 HydrophobicContact CG2-CB 4.36Å; T133-V205 HydrophobicContact CG2-CG1 4.46Å; W134-V205 PolarHBondContact N-O 3.17Å; V205-I332 HydrophobicContact CG2-CD1 3.7Å |
| 206 | F | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.7 | 169.7 | -61.6 | -84.3 | 0 | 0 | 0 | 108.5 | R45 L46 V47 L48 W134 W136 F185 F186 V199 V204 F245 Y249 | R45-F206 HydrophobicContact CB-CE2 4.4Å; L46-F206 PolarHBondContact O-N 2.89Å; V47-F206 CarbonylContact C-O 3.59Å; V47-F206 WeakPolarHBondContact CA-O 3.4Å; V47-F206 HydrophobicContact CG1-CB 4.31Å; V47-F206 HydrophobicContact CG2-CB 4.32Å; V47-F206 HydrophobicContact CG2-CD2 4.27Å; L48-F206 PolarHBondContact N-O 3.22Å; W134-F206 HydrophobicContact CB-CD1 4.12Å; W134-F206 HydrophobicContact CB-CE1 4.42Å; W134-F206 HydrophobicContact CD2-CE1 4.18Å; W134-F206 HydrophobicContact CE3-CD1 4.12Å; W134-F206 AromaticContact CE3-CE1 3.52Å; W134-F206 HydrophobicContact CE3-CE1 3.52Å; W134-F206 AromaticContact CE3-CZ 3.95Å; W134-F206 HydrophobicContact CE3-CZ 3.95Å; W134-F206 HydrophobicContact CZ3-CE1 4.18Å; W134-F206 HydrophobicContact CZ3-CZ 4.17Å; W134-F206 CarbonylContact O-C 3.4Å; W134-F206 WeakPolarHBondContact O-CA 3.38Å; W136-F206 AromaticContact CH2-CD1 3.85Å; W136-F206 HydrophobicContact CH2-CD1 3.85Å; W136-F206 HydrophobicContact CH2-CE1 4.45Å; W136-F206 HydrophobicContact CZ3-CB 4.34Å; W136-F206 AromaticContact CZ3-CD1 3.95Å; W136-F206 HydrophobicContact CZ3-CD1 3.95Å; F185-F206 HydrophobicContact CE1-CE1 4.02Å; F186-F206 HydrophobicContact CE2-CE1 4.49Å; F186-F206 HydrophobicContact CZ-CD1 4.47Å; F186-F206 AromaticContact CZ-CE1 3.91Å; F186-F206 HydrophobicContact CZ-CE1 3.91Å; F186-F206 AromaticContact CZ-CZ 3.99Å; F186-F206 HydrophobicContact CZ-CZ 3.99Å; V199-F206 HydrophobicContact CB-CZ 4.38Å; V199-F206 HydrophobicContact CG1-CZ 4.49Å; V204-F206 HydrophobicContact CB-CE2 4.49Å; V204-F206 HydrophobicContact CG1-CD2 3.92Å; V204-F206 HydrophobicContact CG1-CE1 4.42Å; V204-F206 HydrophobicContact CG1-CE2 3.3Å; V204-F206 HydrophobicContact CG1-CZ 3.6Å; F206-F245 HydrophobicContact CB-CE1 4.43Å; F206-F245 HydrophobicContact CB-CZ 3.92Å; F206-F245 HydrophobicContact CD1-CE1 4.39Å; F206-F245 AromaticContact CD1-CZ 3.98Å; F206-F245 HydrophobicContact CD1-CZ 3.98Å; 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 3.72Å; F206-F245 HydrophobicContact CD2-CZ 3.72Å; F206-F245 HydrophobicContact CE1-CZ 4.41Å; F206-F245 AromaticContact CE2-CE1 3.6Å; F206-F245 HydrophobicContact CE2-CE1 3.6Å; F206-F245 HydrophobicContact CE2-CZ 4.16Å; F206-F245 AromaticContact CG-CE1 3.84Å; F206-F245 HydrophobicContact CG-CE1 3.84Å; F206-F245 AromaticContact CG-CZ 3.59Å; F206-F245 HydrophobicContact CG-CZ 3.59Å; F206-F245 HydrophobicContact CZ-CE1 4.17Å; F206-F245 HydrophobicContact CZ-CZ 4.48Å; F206-Y249 WeakPolarHBondContact CZ-OH 3.3Å |
| 207 | F | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121.2 | -178 | 173.9 | -134.8 | 0 | 0 | 0 | 111.1 | L48 V50 H98 I102 F127 W134 S135 W136 I141 L142 H209 | L48-F207 HydrophobicContact CB-CD2 4.25Å; L48-F207 HydrophobicContact CD2-CD2 3.8Å; L48-F207 HydrophobicContact CD2-CE2 4.16Å; L48-F207 HydrophobicContact CG-CD2 3.94Å; L48-F207 HydrophobicContact CG-CE2 4.37Å; V50-F207 HydrophobicContact CB-CE2 3.99Å; V50-F207 HydrophobicContact CG2-CE2 3.67Å; H98-F207 AromaticContact CD2-CZ 3.69Å; H98-F207 AromaticContact NE2-CZ 3.9Å; I102-F207 HydrophobicContact CD1-CE1 4.3Å; I102-F207 HydrophobicContact CD1-CZ 4.25Å; F127-F207 HydrophobicContact CE1-CB 4.35Å; F127-F207 HydrophobicContact CE2-CB 4.22Å; F127-F207 AromaticContact CE2-CD1 3.69Å; F127-F207 HydrophobicContact CE2-CD1 3.69Å; F127-F207 HydrophobicContact CE2-CE1 4.39Å; F127-F207 HydrophobicContact CE2-CG 4.13Å; F127-F207 HydrophobicContact CZ-CB 3.63Å; F127-F207 AromaticContact CZ-CD1 3.67Å; F127-F207 HydrophobicContact CZ-CD1 3.67Å; F127-F207 HydrophobicContact CZ-CD2 4.39Å; F127-F207 HydrophobicContact CZ-CE1 4.45Å; F127-F207 AromaticContact CZ-CG 3.63Å; F127-F207 HydrophobicContact CZ-CG 3.63Å; W134-F207 PolarHBondContact O-N 3.35Å; S135-F207 CarbonylContact C-O 3.55Å; S135-F207 VanDerWaalsContact CA-O 3.25Å; S135-F207 WeakPolarHBondContact CA-O 3.43Å; W136-F207 PolarHBondContact N-O 3.14Å; I141-F207 HydrophobicContact CG2-CE1 4.27Å; I141-F207 HydrophobicContact CG2-CZ 4.41Å; 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 4.24Å; F207-H209 HydrophobicContact CZ-CB 3.69Å |
| 208 | L | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 109.8 | 177.3 | -66.4 | 83.6 | 0 | 0 | 0 | 108.5 | V47 L48 F49 V50 W136 V178 F179 V182 I241 | V47-L208 HydrophobicContact CG1-CD1 3.91Å; L48-L208 PolarHBondContact O-N 3.1Å; F49-L208 HydrophobicContact CD1-CB 3.94Å; F49-L208 HydrophobicContact CD1-CD1 4.22Å; F49-L208 HydrophobicContact CD1-CD2 3.93Å; F49-L208 HydrophobicContact CD1-CG 4.26Å; F49-L208 HydrophobicContact CE1-CB 4.45Å; F49-L208 HydrophobicContact CE1-CD1 4.05Å; F49-L208 HydrophobicContact CE1-CD2 3.63Å; F49-L208 HydrophobicContact CE1-CG 4.28Å; V50-L208 PolarHBondContact N-O 3.3Å; W136-L208 HydrophobicContact CE3-CG 4.38Å; V178-L208 HydrophobicContact CG1-CB 4Å; V178-L208 HydrophobicContact CG1-CD2 3.99Å; V178-L208 HydrophobicContact CG1-CG 4.12Å; F179-L208 HydrophobicContact CD1-CD2 4.24Å; F179-L208 HydrophobicContact CE1-CD2 4.35Å; V182-L208 HydrophobicContact CG2-CD2 3.79Å; V182-L208 HydrophobicContact CG2-CG 4.12Å; L208-I241 HydrophobicContact CD2-CG1 4.3Å; L208-I241 HydrophobicContact CD2-CG2 4.35Å |
| 209 | H | 98 | Very high | 94 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 115.2 | 174.6 | 177.3 | -110.1 | 0 | 0 | 0 | 110.3 | D52 H98 W136 S138 L142 F207 | D52-H209 IonicContact OD2-CE1 3.15Å; D52-H209 IonicContact OD2-NE2 3.56Å; D52-H209 PolarHBondContact OD2-NE2 3.36Å; D52-H209 VanDerWaalsContact OD2-NE2 3.13Å; H98-H209 AromaticContact CE1-CD2 3.43Å; H98-H209 PolarHBondContact CE1-CD2 2.89Å; H98-H209 VanDerWaalsContact CE1-CD2 3.43Å; H98-H209 AromaticContact CE1-NE2 3.34Å; H98-H209 PolarHBondContact CE1-NE2 3.05Å; H98-H209 VanDerWaalsContact CE1-NE2 3.34Å; H98-H209 AromaticContact NE2-CD2 3.07Å; H98-H209 PolarHBondContact NE2-CD2 2.91Å; H98-H209 AromaticContact NE2-NE2 3.53Å; W136-H209 PolarHBondContact O-N 3.42Å; S138-H209 WeakPolarHBondContact CB-ND1 3.35Å; S138-H209 PolarHBondContact N-ND1 3.28Å; L142-H209 HydrophobicContact CD1-CB 3.99Å; F207-H209 HydrophobicContact CE1-CB 4.09Å; F207-H209 HydrophobicContact CE2-CB 4.24Å; F207-H209 HydrophobicContact CZ-CB 3.69Å |
| 210 | L | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 96.7 | -171.4 | -54.7 | 173.4 | 0 | 0 | 0 | 109.7 | V50 D52 D175 V178 F179 V234 | V50-L210 PolarHBondContact O-N 3.41Å; D52-L210 PolarHBondContact N-O 3.46Å; D175-L210 HydrophobicContact CB-CD2 4.27Å; D175-L210 VanDerWaalsContact OD1-CA 3.24Å; D175-L210 WeakPolarHBondContact OD1-CA 3.49Å; D175-L210 WeakPolarHBondContact OD1-CB 3.47Å; V178-L210 HydrophobicContact CB-CD2 4Å; V178-L210 HydrophobicContact CG1-CD2 3.75Å; F179-L210 HydrophobicContact CD1-CD2 4.46Å; F179-L210 HydrophobicContact CE1-CD1 4.11Å; F179-L210 HydrophobicContact CE1-CD2 3.81Å; F179-L210 HydrophobicContact CE2-CD2 4.32Å; F179-L210 HydrophobicContact CZ-CD1 3.77Å; 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 4.41Å |
| 211 | L | 94.8 | Very high | 92.7 | Very high | 12 Ų | 12 | 22.6 Ų | 22.6 | 6% | 0.063 | 11% | 0.108 | C | C | . | . | trans | -86.3 | -12.7 | -170.6 | -174.4 | 60.9 | 0 | 0 | 0 | 114.3 | D52 Y159 E164 L174 D175 I213 D214 T215 | D52-L211 HydrophobicContact CB-CD1 4.1Å; Y159-L211 WeakPolarHBondContact OH-CB 3.41Å; Y159-L211 WeakPolarHBondContact OH-CD2 3.29Å; E164-L211 HydrophobicContact CG-CD2 3.87Å; E164-L211 WeakPolarHBondContact OE1-CD2 3.48Å; L174-L211 HydrophobicContact CD1-CB 4.31Å; L174-L211 HydrophobicContact CD1-CD2 4.13Å; L174-L211 HydrophobicContact CD1-CG 4.28Å; D175-L211 PolarHBondContact OD1-N 2.8Å; D175-L211 VanDerWaalsContact OD1-N 3.08Å; L211-I213 VanDerWaalsContact C-N 3.29Å; L211-I213 PolarHBondContact O-N 3.29Å; L211-D214 HydrophobicContact CD1-CB 4.13Å; L211-D214 PolarHBondContact O-N 3.08Å; L211-T215 PolarHBondContact O-N 3.3Å; L211-T215 VanDerWaalsContact O-N 3.09Å; L211-T215 PolarHBondContact O-OG1 2.94Å | ||
| 212 | G | 93.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.8 | -32.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114 | D175 N216 N230 | D175-G212 PolarHBondContact OD1-N 3.35Å; D175-G212 WeakPolarHBondContact OD2-CA 3.49Å; D175-G212 PolarHBondContact OD2-N 3.42Å; G212-N216 WeakPolarHBondContact O-CB 3.46Å; G212-N216 PolarHBondContact O-N 3.37Å; G212-N216 PolarHBondContact O-ND2 3.41Å; G212-N230 VanDerWaalsContact C-OD1 3.25Å; G212-N230 PolarHBondContact O-OD1 2.82Å |
| 213 | I | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.7 | -49.5 | 178.6 | -68.2 | 170.3 | 0 | 0 | 0 | 110.9 | A51 D52 L54 L211 T215 N216 G217 Y227 N230 I231 V234 | A51-I213 HydrophobicContact CB-CD1 4.03Å; D52-I213 WeakPolarHBondContact O-CB 2.97Å; L54-I213 HydrophobicContact CB-CD1 4.46Å; L54-I213 HydrophobicContact CB-CG2 4.14Å; L54-I213 HydrophobicContact CD1-CD1 4.32Å; L54-I213 HydrophobicContact CD1-CG2 4.37Å; L211-I213 VanDerWaalsContact C-N 3.29Å; L211-I213 PolarHBondContact O-N 3.29Å; I213-T215 PolarHBondContact O-N 2.74Å; I213-N216 PolarHBondContact O-N 3.47Å; I213-G217 PolarHBondContact O-N 3.43Å; I213-Y227 HydrophobicContact CG2-CD2 3.94Å; I213-Y227 HydrophobicContact CG2-CE1 4.4Å; I213-Y227 HydrophobicContact CG2-CE2 3.28Å; I213-Y227 VanDerWaalsContact O-CD2 3.29Å; I213-Y227 WeakPolarHBondContact O-CD2 3.5Å; I213-Y227 WeakPolarHBondContact O-CE2 3.43Å; I213-N230 HydrophobicContact CG1-CB 4.13Å; I213-N230 WeakPolarHBondContact CG1-ND2 3.45Å; I213-I231 HydrophobicContact CD1-CG1 3.96Å; I213-I231 HydrophobicContact CG1-CG1 4.38Å; I213-V234 HydrophobicContact CD1-CB 4.19Å; I213-V234 HydrophobicContact CD1-CG1 4.45Å; I213-V234 HydrophobicContact CD1-CG2 3.85Å; I213-V234 HydrophobicContact CG1-CG2 4.29Å |
| 214 | D | 92.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.7 | -47 | 175.8 | -174.9 | 65.5 | 0 | 0 | 0 | 111.8 | D52 L211 N216 G217 H218 H263 M265 H271 | D52-D214 HydrophobicContact CB-CB 4Å; D52-D214 PolarHBondContact O-N 3.21Å; D52-D214 WeakPolarHBondContact OD1-CB 3.31Å; L211-D214 HydrophobicContact CD1-CB 4.13Å; L211-D214 PolarHBondContact O-N 3.08Å; D214-N216 PolarHBondContact O-N 3.09Å; D214-G217 CarbonylContact O-C 3.58Å; D214-G217 VanDerWaalsContact O-CA 3.25Å; D214-G217 WeakPolarHBondContact O-CA 3.35Å; D214-G217 PolarHBondContact O-N 3.25Å; D214-H218 PolarHBondContact O-CD2 3.07Å; D214-H218 VanDerWaalsContact O-CD2 3.27Å; D214-H218 PolarHBondContact O-N 2.68Å; D214-H218 IonicContact OD1-CD2 3.19Å; D214-H218 IonicContact OD1-NE2 2.89Å; D214-H218 PolarHBondContact OD1-NE2 3.39Å; D214-H218 IonicContact OD2-CD2 3.81Å; D214-H218 PolarHBondContact OD2-CD2 3.27Å; D214-H218 IonicContact OD2-NE2 3.77Å; D214-H218 PolarHBondContact OD2-NE2 3.25Å; D214-H218 VanDerWaalsContact OD2-NE2 3.1Å; D214-H263 IonicContact OD1-CE1 2.92Å; D214-H263 PolarHBondContact OD1-CE1 2.92Å; D214-M265 WeakPolarHBondContact OD1-CE 3.28Å; D214-H271 IonicContact OD1-CD2 2.76Å; D214-H271 IonicContact OD1-NE2 3.22Å |
| 215 | T | 88.4 | Confident | 91 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.5 | -47.6 | 178.9 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | F166 A171 L211 I213 G217 H218 A219 | F166-T215 HydrophobicContact CD1-CG2 3.93Å; F166-T215 HydrophobicContact CE1-CG2 4.4Å; A171-T215 HydrophobicContact CB-CG2 3.5Å; A171-T215 VanDerWaalsContact CB-CG2 3.5Å; L211-T215 PolarHBondContact O-N 3.3Å; L211-T215 VanDerWaalsContact O-N 3.09Å; L211-T215 PolarHBondContact O-OG1 2.94Å; I213-T215 PolarHBondContact O-N 2.74Å; T215-G217 VanDerWaalsContact C-N 3.28Å; T215-G217 PolarHBondContact O-N 3.48Å; T215-H218 PolarHBondContact O-N 2.76Å; T215-A219 VanDerWaalsContact O-CB 3.23Å; T215-A219 WeakPolarHBondContact O-CB 3.45Å; T215-A219 PolarHBondContact O-N 3.3Å |
| 216 | N | 88.5 | Confident | 90.6 | Very high | 5 Ų | 5 | 27.9 Ų | 27.9 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.8 | -29.7 | 174 | -81.3 | -44.3 | 0 | 0 | 0 | 112.5 | G212 I213 D214 H220 R221 N230 | G212-N216 WeakPolarHBondContact O-CB 3.46Å; G212-N216 PolarHBondContact O-N 3.37Å; G212-N216 PolarHBondContact O-ND2 3.41Å; I213-N216 PolarHBondContact O-N 3.47Å; D214-N216 PolarHBondContact O-N 3.09Å; N216-H220 WeakPolarHBondContact O-CA 3.34Å; N216-H220 WeakPolarHBondContact O-CB 3.38Å; N216-H220 PolarHBondContact O-N 3.48Å; N216-H220 PolarHBondContact OD1-CD2 3.35Å; N216-H220 VanDerWaalsContact OD1-CD2 3.29Å; N216-R221 PolarHBondContact O-N 2.86Å; N216-N230 PolarHBondContact ND2-OD1 3.33Å |
| 217 | G | 87.9 | Confident | 90.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -50.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I213 D214 T215 R221 G269 | I213-G217 PolarHBondContact O-N 3.43Å; D214-G217 CarbonylContact O-C 3.58Å; D214-G217 VanDerWaalsContact O-CA 3.25Å; D214-G217 WeakPolarHBondContact O-CA 3.35Å; D214-G217 PolarHBondContact O-N 3.25Å; T215-G217 VanDerWaalsContact C-N 3.28Å; T215-G217 PolarHBondContact O-N 3.48Å; G217-R221 WeakPolarHBondContact O-CA 3.48Å; G217-R221 PolarHBondContact O-N 2.75Å; G217-G269 WeakPolarHBondContact O-CA 3.46Å |
| 218 | H | 82.4 | Confident | 90.1 | Very high | 63 Ų | 63 | 30.9 Ų | 30.9 | 29% | 0.292 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -65.9 | -47 | 174.8 | -71.5 | -74.3 | 0 | 0 | 0 | 112.6 | F166 D214 T215 G269 H271 | F166-H218 HydrophobicContact CD1-CB 3.91Å; F166-H218 HydrophobicContact CE1-CB 4.35Å; F166-H218 AromaticContact CE1-CD2 3.75Å; D214-H218 PolarHBondContact O-CD2 3.07Å; D214-H218 VanDerWaalsContact O-CD2 3.27Å; D214-H218 PolarHBondContact O-N 2.68Å; D214-H218 IonicContact OD1-CD2 3.19Å; D214-H218 IonicContact OD1-NE2 2.89Å; D214-H218 PolarHBondContact OD1-NE2 3.39Å; D214-H218 IonicContact OD2-CD2 3.81Å; D214-H218 PolarHBondContact OD2-CD2 3.27Å; D214-H218 IonicContact OD2-NE2 3.77Å; D214-H218 PolarHBondContact OD2-NE2 3.25Å; D214-H218 VanDerWaalsContact OD2-NE2 3.1Å; T215-H218 PolarHBondContact O-N 2.76Å; H218-G269 PolarHBondContact ND1-O 2.9Å; H218-G269 VanDerWaalsContact ND1-O 3.08Å; H218-H271 AromaticContact CE1-CD2 3.2Å; H218-H271 PolarHBondContact CE1-CD2 3.47Å; H218-H271 AromaticContact CE1-NE2 3.08Å; H218-H271 PolarHBondContact CE1-NE2 3.25Å; H218-H271 AromaticContact NE2-CD2 3.33Å; H218-H271 PolarHBondContact NE2-CD2 3.3Å; H218-H271 VanDerWaalsContact NE2-CD2 3.33Å; H218-H271 AromaticContact NE2-NE2 2.96Å; H218-H271 PolarHBondContact NE2-NE2 3.21Å |
| 219 | A | 79.8 | Confident | 89.9 | Confident | 36 Ų | 36 | 33.2 Ų | 33.2 | 30% | 0.298 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -71.2 | -42.5 | -173 | 0 | 0 | 0 | 0 | 0 | 113.1 | F166 T215 | F166-A219 WeakPolarHBondContact O-CB 3.37Å; T215-A219 VanDerWaalsContact O-CB 3.23Å; T215-A219 WeakPolarHBondContact O-CB 3.45Å; T215-A219 PolarHBondContact O-N 3.3Å |
| 220 | H | 79.5 | Confident | 89.8 | Confident | 39 Ų | 39 | 33.3 Ų | 33.3 | 18% | 0.181 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -123.8 | -10.3 | -166.1 | -57.7 | -38.1 | 0 | 0 | 0 | 113.7 | N216 S224 E226 | N216-H220 WeakPolarHBondContact O-CA 3.34Å; N216-H220 WeakPolarHBondContact O-CB 3.38Å; N216-H220 PolarHBondContact O-N 3.48Å; N216-H220 PolarHBondContact OD1-CD2 3.35Å; N216-H220 VanDerWaalsContact OD1-CD2 3.29Å; H220-S224 WeakPolarHBondContact CB-OG 3.49Å; H220-S224 WeakPolarHBondContact O-CB 3.4Å; H220-E226 HydrophobicContact CB-CB 4.16Å; H220-E226 VanDerWaalsContact CD2-CB 3.49Å; H220-E226 WeakPolarHBondContact CD2-CB 3.42Å |
| 221 | R | 84.9 | Confident | 89.8 | Confident | 81 Ų | 81 | 33.4 Ų | 33.4 | 31% | 0.306 | 16% | 0.163 | S | C | . | . | trans | 76.4 | 151.2 | -177.2 | -47.2 | 178.4 | -176.9 | 144.8 | 8.8 | 113.5 | N216 G217 S223 S224 W268 | N216-R221 PolarHBondContact O-N 2.86Å; G217-R221 WeakPolarHBondContact O-CA 3.48Å; G217-R221 PolarHBondContact O-N 2.75Å; R221-S223 PolarHBondContact O-N 2.92Å; R221-S223 VanDerWaalsContact O-N 3.12Å; R221-S224 VanDerWaalsContact O-CB 3.23Å; R221-S224 WeakPolarHBondContact O-CB 3.45Å; R221-S224 PolarHBondContact O-N 3.42Å; R221-S224 PolarHBondContact O-OG 3.11Å; R221-W268 VanDerWaalsContact NH2-CH2 3.28Å | ||
| 222 | P | 87.6 | Confident | 89.8 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.013 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25 | -177.9 | -28.7 | 37.4 | 0 | 0 | 0 | 115.8 | S224 Y227 M265 T266 | P222-S224 PolarHBondContact O-N 2.99Å; P222-Y227 HydrophobicContact CB-CD1 4.13Å; P222-Y227 HydrophobicContact CB-CE1 3.98Å; P222-Y227 HydrophobicContact CB-CE2 4.5Å; P222-Y227 HydrophobicContact CB-CG 4.46Å; P222-Y227 VanDerWaalsContact O-CD1 3.27Å; P222-Y227 WeakPolarHBondContact O-CD1 3.47Å; P222-M265 HydrophobicContact CG-CB 3.87Å; P222-M265 HydrophobicContact CG-CG 3.79Å; P222-T266 WeakPolarHBondContact CD-O 3.34Å; P222-T266 VanDerWaalsContact CG-O 3.31Å; P222-T266 WeakPolarHBondContact CG-O 3.33Å |
| 223 | S | 85.9 | Confident | 90 | Very high | 81 Ų | 81 | 41.1 Ų | 41.1 | 57% | 0.566 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -14.7 | 178.2 | 61 | 0 | 0 | 0 | 0 | 113.8 | R221 K228 | R221-S223 PolarHBondContact O-N 2.92Å; R221-S223 VanDerWaalsContact O-N 3.12Å; S223-K228 PolarHBondContact O-NZ 2.9Å; S223-K228 VanDerWaalsContact O-NZ 3.11Å |
| 224 | S | 88.4 | Confident | 90.2 | Very high | 16 Ų | 16 | 41.2 Ų | 41.2 | 11% | 0.112 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -68.2 | 162.2 | -173.4 | 66.9 | 0 | 0 | 0 | 0 | 113.5 | H220 R221 P222 E226 Y227 K228 | H220-S224 WeakPolarHBondContact CB-OG 3.49Å; H220-S224 WeakPolarHBondContact O-CB 3.4Å; R221-S224 VanDerWaalsContact O-CB 3.23Å; R221-S224 WeakPolarHBondContact O-CB 3.45Å; R221-S224 PolarHBondContact O-N 3.42Å; R221-S224 PolarHBondContact O-OG 3.11Å; P222-S224 PolarHBondContact O-N 2.99Å; S224-E226 VanDerWaalsContact C-N 3.32Å; S224-E226 WeakPolarHBondContact CB-OE2 3.39Å; S224-Y227 WeakPolarHBondContact OG-CB 3.34Å; S224-Y227 PolarHBondContact OG-N 3.47Å; S224-Y227 VanDerWaalsContact OG-N 3.16Å; S224-K228 WeakPolarHBondContact O-CD 3.38Å; S224-K228 VanDerWaalsContact O-CG 3.32Å; S224-K228 WeakPolarHBondContact O-CG 3.35Å; S224-K228 PolarHBondContact O-N 3Å |
| 225 | R | 90.6 | Very high | 90.5 | Very high | 188 Ų | 188 | 41.2 Ų | 41.2 | 71% | 0.709 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -68.6 | -37.9 | 174 | 178.8 | 175.6 | 175.3 | 179 | 0.8 | 110.5 | K228 D229 | R225-K228 PolarHBondContact O-N 2.85Å; R225-D229 WeakPolarHBondContact CG-OD2 3.23Å; R225-D229 IonicContact CZ-OD2 3.87Å; R225-D229 IonicContact NE-OD2 2.89Å; R225-D229 PolarHBondContact NE-OD2 2.94Å; R225-D229 IonicContact NH2-OD2 2.77Å; R225-D229 VanDerWaalsContact O-CB 3.25Å; R225-D229 WeakPolarHBondContact O-CB 3.49Å; R225-D229 PolarHBondContact O-N 2.81Å |
| 226 | E | 90.3 | Very high | 90.9 | Very high | 55 Ų | 55 | 45.4 Ų | 45.4 | 26% | 0.257 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.5 | -49.2 | -178.2 | -65.7 | 76.4 | -174.3 | 0 | 0 | 111.2 | H220 S224 K228 N230 K677 | H220-E226 HydrophobicContact CB-CB 4.16Å; H220-E226 VanDerWaalsContact CD2-CB 3.49Å; H220-E226 WeakPolarHBondContact CD2-CB 3.42Å; S224-E226 VanDerWaalsContact C-N 3.32Å; S224-E226 WeakPolarHBondContact CB-OE2 3.39Å; E226-K228 PolarHBondContact O-N 2.86Å; E226-N230 VanDerWaalsContact O-CB 3.31Å; E226-N230 WeakPolarHBondContact O-CB 3.27Å; E226-N230 PolarHBondContact O-N 2.95Å; E226-K677 IonicContact OE1-NZ 3.24Å; E226-K677 PolarHBondContact OE1-NZ 2.9Å |
| 227 | Y | 92.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -47.6 | 174.6 | -175.2 | -92.6 | 0 | 0 | 0 | 111.7 | G53 R55 T58 I213 P222 S224 N230 I231 | G53-Y227 PolarHBondContact O-OH 3.16Å; R55-Y227 PolarHBondContact N-OH 3.3Å; T58-Y227 HydrophobicContact CG2-CD1 4.21Å; T58-Y227 HydrophobicContact CG2-CE1 3.88Å; I213-Y227 HydrophobicContact CG2-CD2 3.94Å; I213-Y227 HydrophobicContact CG2-CE1 4.4Å; I213-Y227 HydrophobicContact CG2-CE2 3.28Å; I213-Y227 VanDerWaalsContact O-CD2 3.29Å; I213-Y227 WeakPolarHBondContact O-CD2 3.5Å; I213-Y227 WeakPolarHBondContact O-CE2 3.43Å; P222-Y227 HydrophobicContact CB-CD1 4.13Å; P222-Y227 HydrophobicContact CB-CE1 3.98Å; P222-Y227 HydrophobicContact CB-CE2 4.5Å; P222-Y227 HydrophobicContact CB-CG 4.46Å; P222-Y227 VanDerWaalsContact O-CD1 3.27Å; P222-Y227 WeakPolarHBondContact O-CD1 3.47Å; S224-Y227 WeakPolarHBondContact OG-CB 3.34Å; S224-Y227 PolarHBondContact OG-N 3.47Å; S224-Y227 VanDerWaalsContact OG-N 3.16Å; Y227-N230 PolarHBondContact O-N 2.97Å; Y227-I231 HydrophobicContact CD1-CD1 4.06Å; Y227-I231 HydrophobicContact CE1-CD1 3.82Å; Y227-I231 WeakPolarHBondContact O-CG1 3.48Å; Y227-I231 PolarHBondContact O-N 2.92Å |
| 228 | K | 94.3 | Very high | 91.9 | Very high | 64 Ų | 64 | 45.4 Ų | 45.4 | 28% | 0.278 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.7 | -38.2 | -178.3 | -70.9 | 170.5 | 177.8 | 167 | 0 | 113.6 | T58 S223 S224 R225 E226 I231 K232 | T58-K228 HydrophobicContact CG2-CG 4.33Å; S223-K228 PolarHBondContact O-NZ 2.9Å; S223-K228 VanDerWaalsContact O-NZ 3.11Å; S224-K228 WeakPolarHBondContact O-CD 3.38Å; S224-K228 VanDerWaalsContact O-CG 3.32Å; S224-K228 WeakPolarHBondContact O-CG 3.35Å; S224-K228 PolarHBondContact O-N 3Å; R225-K228 PolarHBondContact O-N 2.85Å; E226-K228 PolarHBondContact O-N 2.86Å; K228-I231 WeakPolarHBondContact O-CB 3.4Å; K228-I231 PolarHBondContact O-N 2.84Å; K228-K232 PolarHBondContact O-N 3.37Å |
| 229 | D | 94.3 | Very high | 92.7 | Very high | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -75.2 | -28.6 | 177.4 | -75 | -15.3 | 0 | 0 | 0 | 110.8 | R225 I231 K232 K233 | R225-D229 WeakPolarHBondContact CG-OD2 3.23Å; R225-D229 IonicContact CZ-OD2 3.87Å; R225-D229 IonicContact NE-OD2 2.89Å; R225-D229 PolarHBondContact NE-OD2 2.94Å; R225-D229 IonicContact NH2-OD2 2.77Å; R225-D229 VanDerWaalsContact O-CB 3.25Å; R225-D229 WeakPolarHBondContact O-CB 3.49Å; R225-D229 PolarHBondContact O-N 2.81Å; D229-I231 VanDerWaalsContact C-N 3.32Å; D229-I231 PolarHBondContact O-N 2.91Å; D229-K232 WeakPolarHBondContact O-CB 3.4Å; D229-K232 PolarHBondContact O-N 2.92Å; D229-K232 IonicContact OD1-NZ 2.82Å; D229-K232 PolarHBondContact OD1-NZ 2.82Å; D229-K233 PolarHBondContact O-N 3.35Å |
| 230 | N | 96.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.5 | -36.9 | 169.5 | -158.2 | 129.8 | 0 | 0 | 0 | 111.6 | T172 D175 G212 I213 N216 E226 Y227 K232 K233 V234 | T172-N230 HydrophobicContact CG2-CB 4.09Å; T172-N230 VanDerWaalsContact CG2-OD1 3.31Å; T172-N230 WeakPolarHBondContact CG2-OD1 3.36Å; D175-N230 PolarHBondContact OD2-ND2 3.1Å; G212-N230 VanDerWaalsContact C-OD1 3.25Å; G212-N230 PolarHBondContact O-OD1 2.82Å; I213-N230 HydrophobicContact CG1-CB 4.13Å; I213-N230 WeakPolarHBondContact CG1-ND2 3.45Å; N216-N230 PolarHBondContact ND2-OD1 3.33Å; E226-N230 VanDerWaalsContact O-CB 3.31Å; E226-N230 WeakPolarHBondContact O-CB 3.27Å; E226-N230 PolarHBondContact O-N 2.95Å; Y227-N230 PolarHBondContact O-N 2.97Å; N230-K232 VanDerWaalsContact C-N 3.33Å; N230-K232 PolarHBondContact O-N 3.39Å; N230-K233 WeakPolarHBondContact O-CB 3.29Å; N230-K233 PolarHBondContact O-N 3.36Å; N230-V234 PolarHBondContact O-N 3.41Å |
| 231 | I | 97.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 174.3 | -65.5 | 168.7 | 0 | 0 | 0 | 110.7 | L54 T58 L59 R69 A70 I213 Y227 K228 D229 K233 V234 D235 | L54-I231 HydrophobicContact CD1-CD1 3.66Å; L54-I231 HydrophobicContact CD1-CG1 3.79Å; T58-I231 HydrophobicContact CG2-CD1 3.54Å; L59-I231 HydrophobicContact CD1-CG2 4Å; R69-I231 HydrophobicContact CB-CG2 4.31Å; A70-I231 HydrophobicContact CB-CG2 4.31Å; I213-I231 HydrophobicContact CD1-CG1 3.96Å; I213-I231 HydrophobicContact CG1-CG1 4.38Å; Y227-I231 HydrophobicContact CD1-CD1 4.06Å; Y227-I231 HydrophobicContact CE1-CD1 3.82Å; Y227-I231 WeakPolarHBondContact O-CG1 3.48Å; Y227-I231 PolarHBondContact O-N 2.92Å; K228-I231 WeakPolarHBondContact O-CB 3.4Å; K228-I231 PolarHBondContact O-N 2.84Å; D229-I231 VanDerWaalsContact C-N 3.32Å; D229-I231 PolarHBondContact O-N 2.91Å; I231-K233 VanDerWaalsContact C-N 3.31Å; I231-K233 PolarHBondContact O-N 2.9Å; I231-V234 PolarHBondContact O-N 2.94Å; I231-D235 PolarHBondContact O-N 3.48Å |
| 232 | K | 96.4 | Very high | 95.2 | Very high | 81 Ų | 81 | 45 Ų | 45 | 35% | 0.352 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.6 | -43.5 | 174.8 | -65.2 | 169.9 | -174.9 | 164.4 | 0 | 111.4 | R69 K228 D229 N230 V234 D235 D236 | R69-K232 WeakPolarHBondContact O-CA 3.5Å; R69-K232 WeakPolarHBondContact O-CG 3.26Å; K228-K232 PolarHBondContact O-N 3.37Å; D229-K232 WeakPolarHBondContact O-CB 3.4Å; D229-K232 PolarHBondContact O-N 2.92Å; D229-K232 IonicContact OD1-NZ 2.82Å; D229-K232 PolarHBondContact OD1-NZ 2.82Å; N230-K232 VanDerWaalsContact C-N 3.33Å; N230-K232 PolarHBondContact O-N 3.39Å; K232-V234 VanDerWaalsContact C-N 3.34Å; K232-V234 PolarHBondContact O-N 3.31Å; K232-D235 WeakPolarHBondContact O-CB 3.46Å; K232-D235 PolarHBondContact O-N 3.04Å; K232-D236 PolarHBondContact O-N 3Å |
| 233 | K | 96.9 | Very high | 95.7 | Very high | 93 Ų | 93 | 48.4 Ų | 48.4 | 40% | 0.404 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 179.1 | -171.3 | 63.5 | 175 | 176.8 | 0 | 112.3 | D229 N230 I231 G237 | D229-K233 PolarHBondContact O-N 3.35Å; N230-K233 WeakPolarHBondContact O-CB 3.29Å; N230-K233 PolarHBondContact O-N 3.36Å; I231-K233 VanDerWaalsContact C-N 3.31Å; I231-K233 PolarHBondContact O-N 2.9Å; K233-G237 PolarHBondContact O-N 2.82Å |
| 234 | V | 98.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -43.5 | 174.5 | 164.8 | 0 | 0 | 0 | 0 | 110.8 | A51 D175 L210 I213 N230 I231 K232 D236 G237 V238 F259 | A51-V234 HydrophobicContact CB-CG1 4.47Å; D175-V234 HydrophobicContact CB-CG2 4.27Å; D175-V234 WeakPolarHBondContact OD2-CG2 3.26Å; L210-V234 HydrophobicContact CD1-CG1 3.78Å; L210-V234 HydrophobicContact CD1-CG2 4.41Å; I213-V234 HydrophobicContact CD1-CB 4.19Å; I213-V234 HydrophobicContact CD1-CG1 4.45Å; I213-V234 HydrophobicContact CD1-CG2 3.85Å; I213-V234 HydrophobicContact CG1-CG2 4.29Å; N230-V234 PolarHBondContact O-N 3.41Å; I231-V234 PolarHBondContact O-N 2.94Å; K232-V234 VanDerWaalsContact C-N 3.34Å; K232-V234 PolarHBondContact O-N 3.31Å; V234-D236 PolarHBondContact O-N 3.08Å; V234-G237 PolarHBondContact O-N 3.23Å; V234-V238 HydrophobicContact CG1-CG2 4.18Å; V234-V238 WeakPolarHBondContact O-CB 3.42Å; V234-V238 VanDerWaalsContact O-CG2 3.23Å; V234-V238 WeakPolarHBondContact O-CG2 3.42Å; V234-V238 PolarHBondContact O-N 2.95Å; V234-F259 HydrophobicContact CG1-CE2 3.88Å; V234-F259 HydrophobicContact CG1-CZ 4.2Å |
| 235 | D | 98.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 176.2 | -174.8 | 78.7 | 0 | 0 | 0 | 112.2 | A70 P71 F72 I73 I231 K232 V238 K239 | A70-D235 VanDerWaalsContact C-CG 3.49Å; A70-D235 VanDerWaalsContact C-OD1 3.27Å; A70-D235 WeakPolarHBondContact CA-OD1 3.45Å; A70-D235 HydrophobicContact CB-CB 3.96Å; A70-D235 WeakPolarHBondContact CB-OD1 3.47Å; P71-D235 WeakPolarHBondContact CD-OD2 3.36Å; P71-D235 WeakPolarHBondContact CG-OD2 3.26Å; F72-D235 WeakPolarHBondContact CB-OD1 3.48Å; F72-D235 VanDerWaalsContact CB-OD2 3.3Å; F72-D235 WeakPolarHBondContact CB-OD2 3.46Å; F72-D235 PolarHBondContact N-OD1 3.16Å; F72-D235 PolarHBondContact N-OD2 2.93Å; I73-D235 VanDerWaalsContact CG1-OD1 3.32Å; I73-D235 WeakPolarHBondContact CG1-OD1 3.46Å; I73-D235 PolarHBondContact N-OD1 2.81Å; I231-D235 PolarHBondContact O-N 3.48Å; K232-D235 WeakPolarHBondContact O-CB 3.46Å; K232-D235 PolarHBondContact O-N 3.04Å; D235-V238 PolarHBondContact O-N 3.11Å; D235-K239 WeakPolarHBondContact O-CB 3.34Å; D235-K239 PolarHBondContact O-N 2.82Å |
| 236 | D | 98.4 | Very high | 97 | Very high | 92 Ų | 92 | 39.3 Ų | 39.3 | 49% | 0.492 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 175.6 | -76.5 | -27.8 | 0 | 0 | 0 | 112.1 | K232 V234 K239 E240 | K232-D236 PolarHBondContact O-N 3Å; V234-D236 PolarHBondContact O-N 3.08Å; D236-K239 WeakPolarHBondContact O-CB 3.43Å; D236-K239 PolarHBondContact O-N 3.41Å; D236-E240 PolarHBondContact O-N 2.81Å |
| 237 | G | 98.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 43 Ų | 43 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.7 | -44.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K233 V234 K239 E240 I241 | K233-G237 PolarHBondContact O-N 2.82Å; V234-G237 PolarHBondContact O-N 3.23Å; G237-K239 VanDerWaalsContact C-N 3.34Å; G237-K239 PolarHBondContact O-N 3.13Å; G237-E240 PolarHBondContact O-N 3.38Å; G237-I241 WeakPolarHBondContact O-CG1 2.97Å; G237-I241 PolarHBondContact O-N 3.23Å |
| 238 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 175.4 | 172.3 | 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 4.29Å; F49-V238 HydrophobicContact CE1-CG1 4.39Å; F49-V238 HydrophobicContact CE1-CG2 4.15Å; F49-V238 HydrophobicContact CE2-CG1 4.08Å; F49-V238 HydrophobicContact CG-CG2 4.2Å; F49-V238 HydrophobicContact CZ-CG1 4.14Å; F72-V238 HydrophobicContact CD1-CG1 4.18Å; F72-V238 HydrophobicContact CE1-CG1 3.85Å; I73-V238 HydrophobicContact CD1-CG1 4.21Å; F179-V238 HydrophobicContact CE1-CG2 4.49Å; F179-V238 HydrophobicContact CZ-CG2 4.42Å; V234-V238 HydrophobicContact CG1-CG2 4.18Å; V234-V238 WeakPolarHBondContact O-CB 3.42Å; V234-V238 VanDerWaalsContact O-CG2 3.23Å; V234-V238 WeakPolarHBondContact O-CG2 3.42Å; V234-V238 PolarHBondContact O-N 2.95Å; D235-V238 PolarHBondContact O-N 3.11Å; V238-E240 VanDerWaalsContact C-N 3.32Å; V238-E240 PolarHBondContact O-N 3.31Å; V238-I241 PolarHBondContact O-N 3.42Å; V238-V242 HydrophobicContact CG1-CG2 4.21Å; V238-V242 WeakPolarHBondContact O-CB 3.41Å; V238-V242 WeakPolarHBondContact O-CG2 3.47Å; V238-V242 PolarHBondContact O-N 3.41Å; V238-F259 HydrophobicContact CG2-CD2 4.06Å; V238-F259 HydrophobicContact CG2-CE2 4.01Å; V238-W286 HydrophobicContact CG1-CH2 4.4Å |
| 239 | K | 98.8 | Very high | 97.7 | Very high | 117 Ų | 117 | 42.1 Ų | 42.1 | 51% | 0.509 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -56.1 | -45.7 | 175 | 179.6 | -178.5 | 177.9 | -176.9 | 0 | 112.1 | F72 D235 D236 G237 S243 | F72-K239 HydrophobicContact CB-CB 3.97Å; F72-K239 HydrophobicContact CB-CD 4.26Å; F72-K239 HydrophobicContact CB-CG 4.37Å; F72-K239 HydrophobicContact CD1-CB 4.01Å; F72-K239 HydrophobicContact CD2-CB 3.71Å; F72-K239 HydrophobicContact CD2-CD 4.06Å; F72-K239 HydrophobicContact CD2-CG 3.57Å; F72-K239 HydrophobicContact CE1-CB 4.48Å; F72-K239 HydrophobicContact CE2-CB 4.19Å; F72-K239 HydrophobicContact CE2-CG 4.02Å; F72-K239 HydrophobicContact CG-CB 3.6Å; F72-K239 HydrophobicContact CG-CD 4.37Å; F72-K239 HydrophobicContact CG-CG 3.99Å; D235-K239 WeakPolarHBondContact O-CB 3.34Å; D235-K239 PolarHBondContact O-N 2.82Å; D236-K239 WeakPolarHBondContact O-CB 3.43Å; D236-K239 PolarHBondContact O-N 3.41Å; G237-K239 VanDerWaalsContact C-N 3.34Å; G237-K239 PolarHBondContact O-N 3.13Å; K239-S243 PolarHBondContact O-N 2.94Å |
| 240 | E | 98.6 | Very high | 97.8 | Very high | 89 Ų | 89 | 42.8 Ų | 42.8 | 42% | 0.416 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.9 | -47.4 | 179 | -170.1 | -178.9 | -178.5 | 0 | 0 | 111.8 | K183 D236 G237 V238 V242 S243 I244 | K183-E240 WeakPolarHBondContact CE-OE1 3.38Å; K183-E240 VanDerWaalsContact CE-OE2 3.28Å; K183-E240 WeakPolarHBondContact CE-OE2 3.23Å; K183-E240 IonicContact NZ-OE1 3.75Å; K183-E240 PolarHBondContact NZ-OE1 2.86Å; K183-E240 IonicContact NZ-OE2 3.59Å; K183-E240 PolarHBondContact NZ-OE2 3.06Å; D236-E240 PolarHBondContact O-N 2.81Å; G237-E240 PolarHBondContact O-N 3.38Å; V238-E240 VanDerWaalsContact C-N 3.32Å; V238-E240 PolarHBondContact O-N 3.31Å; E240-V242 PolarHBondContact O-N 3.13Å; E240-S243 WeakPolarHBondContact O-CB 3.29Å; E240-S243 PolarHBondContact O-N 3.08Å; E240-S243 VanDerWaalsContact O-N 3.14Å; E240-I244 HydrophobicContact CG-CD1 4.45Å; E240-I244 WeakPolarHBondContact O-CG1 3.28Å; E240-I244 PolarHBondContact O-N 2.97Å |
| 241 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.4 | -46.1 | 177.1 | -64.2 | -47.2 | 0 | 0 | 0 | 110.8 | F49 F179 V182 K183 L208 G237 V238 S243 I244 F245 | F49-I241 HydrophobicContact CE1-CB 4.13Å; F49-I241 HydrophobicContact CE1-CG2 3.89Å; F49-I241 HydrophobicContact CZ-CB 4.16Å; F49-I241 HydrophobicContact CZ-CG2 3.77Å; F179-I241 HydrophobicContact CB-CD1 4.32Å; F179-I241 HydrophobicContact CD1-CD1 4.16Å; F179-I241 HydrophobicContact CD1-CG1 3.54Å; F179-I241 HydrophobicContact CE1-CG1 4.14Å; F179-I241 HydrophobicContact CG-CG1 4.42Å; V182-I241 HydrophobicContact CB-CD1 3.98Å; V182-I241 HydrophobicContact CG1-CD1 3.83Å; V182-I241 HydrophobicContact CG1-CG2 4.2Å; K183-I241 HydrophobicContact CG-CD1 4.48Å; L208-I241 HydrophobicContact CD2-CG1 4.3Å; L208-I241 HydrophobicContact CD2-CG2 4.35Å; G237-I241 WeakPolarHBondContact O-CG1 2.97Å; G237-I241 PolarHBondContact O-N 3.23Å; V238-I241 PolarHBondContact O-N 3.42Å; I241-S243 PolarHBondContact O-N 3.04Å; I241-I244 HydrophobicContact CD1-CD1 4.14Å; I241-I244 WeakPolarHBondContact O-CB 3.34Å; I241-I244 PolarHBondContact O-N 2.91Å; I241-F245 HydrophobicContact CG2-CD2 3.66Å; I241-F245 HydrophobicContact CG2-CE2 3.6Å; I241-F245 WeakPolarHBondContact O-CD2 3.19Å; I241-F245 PolarHBondContact O-N 3.17Å |
| 242 | V | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.9 | -41.6 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 111 | F49 F72 V238 E240 I244 F245 K246 F257 W286 | F49-V242 HydrophobicContact CE2-CG2 4.36Å; F49-V242 HydrophobicContact CZ-CG2 4.37Å; F72-V242 HydrophobicContact CE1-CG2 4.21Å; F72-V242 HydrophobicContact CZ-CB 4.12Å; F72-V242 HydrophobicContact CZ-CG1 4.13Å; F72-V242 HydrophobicContact CZ-CG2 4.02Å; V238-V242 HydrophobicContact CG1-CG2 4.21Å; V238-V242 WeakPolarHBondContact O-CB 3.41Å; V238-V242 WeakPolarHBondContact O-CG2 3.47Å; V238-V242 PolarHBondContact O-N 3.41Å; E240-V242 PolarHBondContact O-N 3.13Å; V242-I244 VanDerWaalsContact C-N 3.35Å; V242-I244 PolarHBondContact O-N 2.84Å; V242-F245 PolarHBondContact O-N 3.26Å; V242-K246 HydrophobicContact CG1-CD 4.34Å; V242-K246 HydrophobicContact CG1-CG 4.47Å; V242-K246 WeakPolarHBondContact O-CG 3.09Å; V242-K246 PolarHBondContact O-N 3.24Å; V242-F257 HydrophobicContact CB-CE1 4.43Å; V242-F257 HydrophobicContact CG1-CE1 4.38Å; V242-F257 HydrophobicContact CG1-CE2 4.48Å; V242-F257 HydrophobicContact CG1-CZ 4.14Å; V242-F257 HydrophobicContact CG2-CD1 4.02Å; V242-F257 HydrophobicContact CG2-CE1 3.95Å; V242-W286 HydrophobicContact CG2-CZ2 3.75Å |
| 243 | S | 98.4 | Very high | 97.7 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 52% | 0.517 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 175.6 | -170.9 | 0 | 0 | 0 | 0 | 112.6 | K239 E240 I241 H247 | K239-S243 PolarHBondContact O-N 2.94Å; E240-S243 WeakPolarHBondContact O-CB 3.29Å; E240-S243 PolarHBondContact O-N 3.08Å; E240-S243 VanDerWaalsContact O-N 3.14Å; I241-S243 PolarHBondContact O-N 3.04Å; S243-H247 WeakPolarHBondContact O-CB 3.32Å; S243-H247 PolarHBondContact O-N 3.25Å |
| 244 | I | 98.3 | Very high | 97.7 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 15% | 0.154 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 176.5 | -69.8 | 166.1 | 0 | 0 | 0 | 110.6 | K183 F186 E240 I241 V242 H247 F248 | K183-I244 HydrophobicContact CG-CD1 3.58Å; F186-I244 HydrophobicContact CB-CG2 3.98Å; F186-I244 HydrophobicContact CD2-CG2 4.03Å; F186-I244 HydrophobicContact CG-CG2 4.01Å; E240-I244 HydrophobicContact CG-CD1 4.45Å; E240-I244 WeakPolarHBondContact O-CG1 3.28Å; E240-I244 PolarHBondContact O-N 2.97Å; I241-I244 HydrophobicContact CD1-CD1 4.14Å; I241-I244 WeakPolarHBondContact O-CB 3.34Å; I241-I244 PolarHBondContact O-N 2.91Å; V242-I244 VanDerWaalsContact C-N 3.35Å; V242-I244 PolarHBondContact O-N 2.84Å; I244-H247 PolarHBondContact O-N 2.6Å; I244-F248 VanDerWaalsContact O-CB 3.24Å; I244-F248 WeakPolarHBondContact O-CB 3.24Å; I244-F248 PolarHBondContact O-N 2.92Å |
| 245 | F | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.1 | -49.5 | 177.1 | -88.9 | -97.3 | 0 | 0 | 0 | 111.6 | V47 V182 F186 F206 I241 V242 H247 F248 Y249 T255 F257 | V47-F245 HydrophobicContact CG1-CE2 4.34Å; V47-F245 HydrophobicContact CG1-CZ 4.26Å; V47-F245 HydrophobicContact CG2-CD1 3.65Å; V47-F245 HydrophobicContact CG2-CD2 4.47Å; V47-F245 HydrophobicContact CG2-CE1 3.34Å; V47-F245 HydrophobicContact CG2-CE2 4.2Å; V47-F245 HydrophobicContact CG2-CG 4.21Å; V47-F245 HydrophobicContact CG2-CZ 3.63Å; V182-F245 HydrophobicContact CG1-CE2 4.33Å; F186-F245 HydrophobicContact CD2-CE2 4.44Å; F186-F245 HydrophobicContact CE2-CD2 4.1Å; F186-F245 HydrophobicContact CE2-CE1 4.08Å; F186-F245 AromaticContact CE2-CE2 3.45Å; F186-F245 HydrophobicContact CE2-CE2 3.45Å; F186-F245 VanDerWaalsContact CE2-CE2 3.45Å; F186-F245 AromaticContact CE2-CZ 3.44Å; F186-F245 HydrophobicContact CE2-CZ 3.44Å; F186-F245 VanDerWaalsContact CE2-CZ 3.44Å; F186-F245 HydrophobicContact CZ-CD1 4.13Å; F186-F245 HydrophobicContact CZ-CD2 4.32Å; F186-F245 AromaticContact CZ-CE1 3.56Å; F186-F245 HydrophobicContact CZ-CE1 3.56Å; F186-F245 AromaticContact CZ-CE2 3.81Å; F186-F245 HydrophobicContact CZ-CE2 3.81Å; F186-F245 HydrophobicContact CZ-CG 4.48Å; F186-F245 AromaticContact CZ-CZ 3.4Å; F186-F245 HydrophobicContact CZ-CZ 3.4Å; F206-F245 HydrophobicContact CB-CE1 4.43Å; F206-F245 HydrophobicContact CB-CZ 3.92Å; F206-F245 HydrophobicContact CD1-CE1 4.39Å; F206-F245 AromaticContact CD1-CZ 3.98Å; F206-F245 HydrophobicContact CD1-CZ 3.98Å; 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 3.72Å; F206-F245 HydrophobicContact CD2-CZ 3.72Å; F206-F245 HydrophobicContact CE1-CZ 4.41Å; F206-F245 AromaticContact CE2-CE1 3.6Å; F206-F245 HydrophobicContact CE2-CE1 3.6Å; F206-F245 HydrophobicContact CE2-CZ 4.16Å; F206-F245 AromaticContact CG-CE1 3.84Å; F206-F245 HydrophobicContact CG-CE1 3.84Å; F206-F245 AromaticContact CG-CZ 3.59Å; F206-F245 HydrophobicContact CG-CZ 3.59Å; F206-F245 HydrophobicContact CZ-CE1 4.17Å; F206-F245 HydrophobicContact CZ-CZ 4.48Å; I241-F245 HydrophobicContact CG2-CD2 3.66Å; I241-F245 HydrophobicContact CG2-CE2 3.6Å; I241-F245 WeakPolarHBondContact O-CD2 3.19Å; I241-F245 PolarHBondContact O-N 3.17Å; V242-F245 PolarHBondContact O-N 3.26Å; F245-H247 VanDerWaalsContact C-N 3.31Å; F245-H247 PolarHBondContact O-N 3.13Å; F245-F248 PolarHBondContact O-N 2.82Å; F245-Y249 HydrophobicContact CD1-CD2 4.14Å; F245-Y249 AromaticContact CD1-CE2 3.69Å; F245-Y249 HydrophobicContact CD1-CE2 3.69Å; F245-Y249 HydrophobicContact CE1-CE2 4.09Å; F245-Y249 VanDerWaalsContact O-CD2 3.29Å; F245-Y249 WeakPolarHBondContact O-CD2 3.36Å; F245-Y249 PolarHBondContact O-N 3.21Å; F245-Y249 VanDerWaalsContact O-N 3.11Å; F245-T255 HydrophobicContact CD1-CG2 4.37Å; F245-F257 HydrophobicContact CB-CE1 4.15Å; F245-F257 HydrophobicContact CB-CZ 4.02Å; F245-F257 HydrophobicContact CG-CE1 4.32Å |
| 246 | K | 97.1 | Very high | 97.8 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 28% | 0.278 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.8 | -44.2 | 176.8 | -73.4 | -172 | 175.3 | -175.8 | 0 | 111.2 | E80 V242 G250 D251 | E80-K246 IonicContact OE2-NZ 3.52Å; V242-K246 HydrophobicContact CG1-CD 4.34Å; V242-K246 HydrophobicContact CG1-CG 4.47Å; V242-K246 WeakPolarHBondContact O-CG 3.09Å; V242-K246 PolarHBondContact O-N 3.24Å; K246-G250 CarbonylContact O-C 3.53Å; K246-G250 WeakPolarHBondContact O-CA 3.46Å; K246-G250 PolarHBondContact O-N 3.47Å; K246-D251 HydrophobicContact CB-CB 4.35Å; K246-D251 PolarHBondContact O-N 2.69Å |
| 247 | H | 97.6 | Very high | 97.8 | Very high | 134 Ų | 134 | 44.7 Ų | 44.7 | 62% | 0.62 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -69.7 | -45.7 | 179.8 | -175 | 76.9 | 0 | 0 | 0 | 113.1 | S243 I244 F245 Y249 G250 | S243-H247 WeakPolarHBondContact O-CB 3.32Å; S243-H247 PolarHBondContact O-N 3.25Å; I244-H247 PolarHBondContact O-N 2.6Å; F245-H247 VanDerWaalsContact C-N 3.31Å; F245-H247 PolarHBondContact O-N 3.13Å; H247-Y249 VanDerWaalsContact C-N 3.33Å; H247-Y249 PolarHBondContact O-N 3.1Å; H247-G250 PolarHBondContact O-N 2.74Å |
| 248 | F | 97.4 | Very high | 97.8 | Very high | 25 Ų | 25 | 44.5 Ų | 44.5 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -38.4 | -177 | -177.3 | -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 3.66Å; F186-F248 HydrophobicContact CD1-CD2 3.66Å; F186-F248 HydrophobicContact CD1-CE1 4.04Å; F186-F248 AromaticContact CD1-CE2 3.88Å; F186-F248 HydrophobicContact CD1-CE2 3.88Å; 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 3.8Å; F186-F248 HydrophobicContact CE1-CD1 3.8Å; F186-F248 HydrophobicContact CE1-CD2 4.46Å; F186-F248 HydrophobicContact CE1-CE1 4.02Å; F186-F248 HydrophobicContact CE1-CG 4.04Å; F186-F248 HydrophobicContact CE1-CZ 4.44Å; A189-F248 HydrophobicContact CB-CE2 4.06Å; A189-F248 HydrophobicContact CB-CZ 3.97Å; R190-F248 HydrophobicContact CG-CD2 4.04Å; R190-F248 HydrophobicContact CG-CE2 3.74Å; F196-F248 HydrophobicContact CD2-CE1 4.45Å; F196-F248 HydrophobicContact CD2-CE2 4.24Å; F196-F248 AromaticContact CD2-CZ 3.63Å; F196-F248 HydrophobicContact CD2-CZ 3.63Å; F196-F248 HydrophobicContact CE2-CE1 4.19Å; F196-F248 HydrophobicContact CE2-CE2 4.18Å; F196-F248 AromaticContact CE2-CZ 3.65Å; F196-F248 HydrophobicContact CE2-CZ 3.65Å; V199-F248 HydrophobicContact CG2-CE1 3.75Å; V199-F248 HydrophobicContact CG2-CZ 3.82Å; I244-F248 VanDerWaalsContact O-CB 3.24Å; I244-F248 WeakPolarHBondContact O-CB 3.24Å; I244-F248 PolarHBondContact O-N 2.92Å; F245-F248 PolarHBondContact O-N 2.82Å |
| 249 | Y | 97.1 | Very high | 97.8 | Very high | 20 Ų | 20 | 44.6 Ų | 44.6 | 8% | 0.078 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 2.4 | 178.6 | -62.3 | -65.2 | 0 | 0 | 0 | 113.9 | R45 F186 V199 N200 F206 F245 H247 D251 | R45-Y249 VanDerWaalsContact CD-CE2 3.49Å; R45-Y249 VanDerWaalsContact CZ-CE1 3.44Å; R45-Y249 VanDerWaalsContact NH1-CD1 3.27Å; F186-Y249 HydrophobicContact CE1-CE2 4.07Å; F186-Y249 HydrophobicContact CZ-CE2 4.39Å; V199-Y249 WeakPolarHBondContact O-CE1 3.42Å; V199-Y249 PolarHBondContact O-OH 2.67Å; N200-Y249 WeakPolarHBondContact OD1-CD1 3.42Å; N200-Y249 VanDerWaalsContact OD1-CE1 3.3Å; N200-Y249 WeakPolarHBondContact OD1-CE1 3.36Å; F206-Y249 WeakPolarHBondContact CZ-OH 3.3Å; F245-Y249 HydrophobicContact CD1-CD2 4.14Å; F245-Y249 AromaticContact CD1-CE2 3.69Å; F245-Y249 HydrophobicContact CD1-CE2 3.69Å; F245-Y249 HydrophobicContact CE1-CE2 4.09Å; F245-Y249 VanDerWaalsContact O-CD2 3.29Å; F245-Y249 WeakPolarHBondContact O-CD2 3.36Å; F245-Y249 PolarHBondContact O-N 3.21Å; F245-Y249 VanDerWaalsContact O-N 3.11Å; H247-Y249 VanDerWaalsContact C-N 3.33Å; H247-Y249 PolarHBondContact O-N 3.1Å; Y249-D251 VanDerWaalsContact C-N 3.28Å; Y249-D251 PolarHBondContact O-N 3.49Å |
| 250 | G | 96.5 | Very high | 97.8 | Very high | 63 Ų | 63 | 39 Ų | 39 | 65% | 0.649 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 29.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K246 H247 D252 | K246-G250 CarbonylContact O-C 3.53Å; K246-G250 WeakPolarHBondContact O-CA 3.46Å; K246-G250 PolarHBondContact O-N 3.47Å; H247-G250 PolarHBondContact O-N 2.74Å; G250-D252 PolarHBondContact O-N 2.9Å |
| 251 | D | 93.8 | Very high | 97.8 | Very high | 100 Ų | 100 | 34.8 Ų | 34.8 | 54% | 0.535 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 45.4 | -178.6 | -155.9 | 21.7 | 0 | 0 | 0 | 112.8 | K246 Y249 G253 | K246-D251 HydrophobicContact CB-CB 4.35Å; K246-D251 PolarHBondContact O-N 2.69Å; Y249-D251 VanDerWaalsContact C-N 3.28Å; Y249-D251 PolarHBondContact O-N 3.49Å; D251-G253 PolarHBondContact O-N 2.82Å |
| 252 | D | 96.8 | Very high | 97.7 | Very high | 65 Ų | 65 | 34.8 Ų | 34.8 | 35% | 0.348 | 20% | 0.204 | S | C | . | . | trans | -60.8 | -1 | -176.3 | 67.9 | -0.5 | 0 | 0 | 0 | 115.6 | R45 G250 K254 | R45-D252 IonicContact CZ-OD2 3.49Å; R45-D252 IonicContact NH2-OD2 3.37Å; R45-D252 PolarHBondContact NH2-OD2 2.94Å; G250-D252 PolarHBondContact O-N 2.9Å; D252-K254 HydrophobicContact CB-CG 4.46Å; D252-K254 PolarHBondContact O-N 3.34Å; D252-K254 WeakPolarHBondContact OD1-CA 3.3Å; D252-K254 WeakPolarHBondContact OD1-CB 3.48Å; D252-K254 PolarHBondContact OD1-N 3.47Å | ||
| 253 | G | 96.1 | Very high | 97.6 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 49% | 0.485 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 65.3 | 21.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D251 A288 | D251-G253 PolarHBondContact O-N 2.82Å; G253-A288 VanDerWaalsContact O-CB 3.23Å; G253-A288 WeakPolarHBondContact O-CB 3.47Å |
| 254 | K | 98 | Very high | 97.4 | Very high | 83 Ų | 83 | 31.1 Ų | 31.1 | 36% | 0.361 | 18% | 0.178 | S | C | . | . | trans | -113.9 | 12.1 | -179 | -59.5 | -61.7 | -178.7 | -180 | 0 | 114.3 | K44 R45 D252 | K44-K254 HydrophobicContact CB-CB 4.08Å; K44-K254 HydrophobicContact CD-CB 4.32Å; K44-K254 HydrophobicContact CD-CG 4.33Å; K44-K254 HydrophobicContact CG-CB 3.99Å; K44-K254 HydrophobicContact CG-CD 4.43Å; K44-K254 HydrophobicContact CG-CG 4.26Å; K44-K254 PolarHBondContact N-O 3.06Å; R45-K254 PolarHBondContact N-O 3.23Å; D252-K254 HydrophobicContact CB-CG 4.46Å; D252-K254 PolarHBondContact O-N 3.34Å; D252-K254 WeakPolarHBondContact OD1-CA 3.3Å; D252-K254 WeakPolarHBondContact OD1-CB 3.48Å; D252-K254 PolarHBondContact OD1-N 3.47Å | ||
| 255 | T | 98.6 | Very high | 96.9 | Very high | 13 Ų | 13 | 29.7 Ų | 29.7 | 8% | 0.08 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.6 | 175.8 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | R45 V47 F245 F257 A288 | R45-T255 VanDerWaalsContact CD-OG1 3.23Å; R45-T255 WeakPolarHBondContact CD-OG1 3.26Å; R45-T255 HydrophobicContact CG-CG2 3.87Å; R45-T255 VanDerWaalsContact CG-OG1 3.27Å; R45-T255 WeakPolarHBondContact CG-OG1 3.36Å; R45-T255 PolarHBondContact NE-OG1 3.13Å; R45-T255 WeakPolarHBondContact O-CA 3.37Å; V47-T255 HydrophobicContact CG2-CG2 3.88Å; F245-T255 HydrophobicContact CD1-CG2 4.37Å; T255-F257 HydrophobicContact CG2-CD1 4.37Å; T255-F257 HydrophobicContact CG2-CD2 4.15Å; T255-F257 HydrophobicContact CG2-CE1 3.82Å; T255-F257 HydrophobicContact CG2-CE2 3.57Å; T255-F257 HydrophobicContact CG2-CZ 3.39Å; T255-A288 WeakPolarHBondContact O-CB 3.36Å; T255-A288 PolarHBondContact O-N 2.94Å |
| 256 | A | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 141.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | A43 R45 L46 V47 L331 | A43-A256 HydrophobicContact CB-CB 3.98Å; R45-A256 PolarHBondContact O-N 3.13Å; L46-A256 CarbonylContact C-O 3.59Å; L46-A256 WeakPolarHBondContact CA-O 3.31Å; L46-A256 HydrophobicContact CD1-CB 3.96Å; V47-A256 PolarHBondContact N-O 3.04Å; A256-L331 HydrophobicContact CB-CD1 4.16Å |
| 257 | F | 98.9 | Very high | 95.5 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139.6 | 179.8 | -60.5 | -88.8 | 0 | 0 | 0 | 110.3 | V47 F49 V242 F245 T255 T285 W286 | V47-F257 HydrophobicContact CB-CD1 3.65Å; V47-F257 HydrophobicContact CB-CE1 4.02Å; V47-F257 HydrophobicContact CG1-CD1 4.23Å; V47-F257 HydrophobicContact CG2-CD1 3.9Å; V47-F257 HydrophobicContact CG2-CE1 3.76Å; V47-F257 WeakPolarHBondContact O-CA 3.44Å; F49-F257 HydrophobicContact CE2-CD1 4.07Å; V242-F257 HydrophobicContact CB-CE1 4.43Å; V242-F257 HydrophobicContact CG1-CE1 4.38Å; V242-F257 HydrophobicContact CG1-CE2 4.48Å; V242-F257 HydrophobicContact CG1-CZ 4.14Å; V242-F257 HydrophobicContact CG2-CD1 4.02Å; V242-F257 HydrophobicContact CG2-CE1 3.95Å; F245-F257 HydrophobicContact CB-CE1 4.15Å; F245-F257 HydrophobicContact CB-CZ 4.02Å; F245-F257 HydrophobicContact CG-CE1 4.32Å; T255-F257 HydrophobicContact CG2-CD1 4.37Å; T255-F257 HydrophobicContact CG2-CD2 4.15Å; T255-F257 HydrophobicContact CG2-CE1 3.82Å; T255-F257 HydrophobicContact CG2-CE2 3.57Å; T255-F257 HydrophobicContact CG2-CZ 3.39Å; F257-T285 VanDerWaalsContact O-CA 3.26Å; F257-T285 WeakPolarHBondContact O-CA 3.43Å; F257-T285 WeakPolarHBondContact O-CB 3.33Å; F257-T285 PolarHBondContact O-OG1 3.41Å; F257-W286 HydrophobicContact CB-CD2 3.6Å; F257-W286 HydrophobicContact CB-CE3 4.01Å; F257-W286 HydrophobicContact CB-CG 4.19Å; F257-W286 HydrophobicContact CB-CH2 3.82Å; F257-W286 HydrophobicContact CB-CZ2 3.38Å; F257-W286 HydrophobicContact CB-CZ3 4.11Å; F257-W286 HydrophobicContact CD1-CZ2 4.22Å; F257-W286 AromaticContact CD2-CD1 3.8Å; F257-W286 AromaticContact CD2-CE2 3.95Å; F257-W286 HydrophobicContact CD2-CZ2 4.5Å; F257-W286 AromaticContact CD2-NE1 3.38Å; F257-W286 HydrophobicContact CG-CD2 4.39Å; 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 3.59Å; F257-W286 PolarHBondContact N-O 2.74Å; F257-W286 PolarHBondContact O-N 2.66Å |
| 258 | I | 98.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 129.1 | 174.2 | -63.1 | -179.7 | 0 | 0 | 0 | 108.4 | L46 V47 L48 F49 T260 F283 I324 M328 | L46-I258 HydrophobicContact CD1-CD1 3.97Å; L46-I258 HydrophobicContact CD1-CG1 4.13Å; V47-I258 PolarHBondContact O-N 2.74Å; L48-I258 HydrophobicContact CD1-CB 3.97Å; L48-I258 HydrophobicContact CD1-CG2 3.73Å; F49-I258 PolarHBondContact N-O 3.16Å; I258-T260 HydrophobicContact CG2-CG2 4.45Å; I258-F283 HydrophobicContact CG2-CD2 4.32Å; I258-F283 HydrophobicContact CG2-CE2 3.63Å; I258-F283 HydrophobicContact CG2-CZ 4.46Å; I258-I324 HydrophobicContact CD1-CG2 4.43Å; I258-M328 HydrophobicContact CD1-CG 3.38Å; I258-M328 HydrophobicContact CD1-SD 4.04Å |
| 259 | F | 98.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 28.4 Ų | 28.4 | 1% | 0.013 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.6 | 171.7 | -179.6 | -89.8 | 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 3.43Å; A51-F259 HydrophobicContact CB-CE2 4.16Å; A51-F259 HydrophobicContact CB-CZ 3.9Å; L54-F259 HydrophobicContact CD2-CE1 3.75Å; L54-F259 HydrophobicContact CD2-CZ 3.73Å; L59-F259 HydrophobicContact CD1-CE1 4.27Å; L59-F259 HydrophobicContact CD2-CD1 4.41Å; L59-F259 HydrophobicContact CD2-CE1 3.85Å; I73-F259 HydrophobicContact CD1-CB 4.08Å; I73-F259 HydrophobicContact CD1-CD1 4.1Å; I73-F259 HydrophobicContact CD1-CD2 4.1Å; I73-F259 HydrophobicContact CD1-CG 3.82Å; I73-F259 HydrophobicContact CG1-CD1 4.37Å; I73-F259 HydrophobicContact CG1-CE1 4.46Å; I73-F259 HydrophobicContact CG1-CG 4.49Å; V234-F259 HydrophobicContact CG1-CE2 3.88Å; V234-F259 HydrophobicContact CG1-CZ 4.2Å; V238-F259 HydrophobicContact CG2-CD2 4.06Å; V238-F259 HydrophobicContact CG2-CE2 4.01Å; F259-V284 PolarHBondContact N-O 3.06Å; F259-V284 PolarHBondContact O-N 3.45Å; F259-W286 HydrophobicContact CB-CH2 4.08Å; F259-W286 HydrophobicContact CB-CZ3 3.83Å |
| 260 | T | 98.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | -178.6 | -177.1 | -167.2 | 0 | 0 | 0 | 0 | 111.6 | L48 F49 V50 A51 L101 I258 P282 | L48-T260 HydrophobicContact CD1-CG2 4.26Å; F49-T260 PolarHBondContact O-N 3.12Å; V50-T260 WeakPolarHBondContact CA-O 3.41Å; V50-T260 HydrophobicContact CG2-CG2 3.99Å; A51-T260 PolarHBondContact N-O 3.12Å; L101-T260 HydrophobicContact CD1-CG2 4Å; L101-T260 HydrophobicContact CD2-CG2 3.85Å; I258-T260 HydrophobicContact CG2-CG2 4.45Å; T260-P282 VanDerWaalsContact CA-O 3.27Å; T260-P282 WeakPolarHBondContact CA-O 3.45Å; T260-P282 PolarHBondContact OG1-O 3.4Å; T260-P282 VanDerWaalsContact OG1-O 3.08Å |
| 261 | S | 98.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -129.8 | 153.9 | 167.1 | -169.6 | 0 | 0 | 0 | 0 | 111.4 | A51 L54 H263 T281 Q321 | A51-S261 WeakPolarHBondContact O-CB 3.48Å; A51-S261 PolarHBondContact O-OG 3.2Å; L54-S261 PolarHBondContact N-OG 3.11Å; L54-S261 VanDerWaalsContact N-OG 3.09Å; L54-S261 WeakPolarHBondContact O-CB 3.33Å; L54-S261 PolarHBondContact O-OG 3.26Å; S261-H263 PolarHBondContact OG-O 3.44Å; S261-T281 WeakPolarHBondContact O-CB 3.31Å; S261-T281 PolarHBondContact O-OG1 3.08Å; S261-Q321 PolarHBondContact O-NE2 2.84Å | ||
| 262 | D | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -79 | -40.4 | 176.3 | 61.1 | -25 | 0 | 0 | 0 | 112 | V50 D52 G53 T88 S94 H98 L101 Q321 | V50-D262 HydrophobicContact CG1-CB 4.15Å; D52-D262 VanDerWaalsContact CA-OD1 3.3Å; D52-D262 WeakPolarHBondContact CA-OD1 3.43Å; G53-D262 PolarHBondContact N-OD1 2.89Å; T88-D262 PolarHBondContact OG1-O 2.93Å; S94-D262 WeakPolarHBondContact CA-OD2 3.27Å; S94-D262 VanDerWaalsContact CB-OD2 3.26Å; S94-D262 WeakPolarHBondContact CB-OD2 3.42Å; H98-D262 IonicContact CE1-OD2 3.06Å; H98-D262 PolarHBondContact CE1-OD2 2.88Å; H98-D262 IonicContact ND1-OD2 2.66Å; H98-D262 PolarHBondContact ND1-OD2 3.28Å; L101-D262 HydrophobicContact CD1-CB 4.23Å; D262-Q321 PolarHBondContact O-NE2 3.43Å |
| 263 | H | 96.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -152.9 | 166.1 | 168.1 | 59 | 76.5 | 0 | 0 | 0 | 111.8 | D52 G53 L54 T88 E93 S94 D214 S261 H271 T281 | D52-H263 IonicContact OD1-CE1 3.99Å; D52-H263 IonicContact OD1-NE2 3.75Å; G53-H263 CarbonylContact C-O 3.55Å; G53-H263 WeakPolarHBondContact CA-O 3.46Å; G53-H263 PolarHBondContact N-O 3.48Å; L54-H263 PolarHBondContact N-O 3.02Å; T88-H263 HydrophobicContact CG2-CB 4.39Å; E93-H263 VanDerWaalsContact C-CD2 3.48Å; S94-H263 PolarHBondContact N-CD2 3.47Å; S94-H263 PolarHBondContact N-NE2 3.42Å; S94-H263 PolarHBondContact OG-NE2 2.95Å; S94-H263 VanDerWaalsContact OG-NE2 3.14Å; D214-H263 IonicContact OD1-CE1 2.92Å; D214-H263 PolarHBondContact OD1-CE1 2.92Å; S261-H263 PolarHBondContact OG-O 3.44Å; H263-H271 AromaticContact CD2-ND1 3.96Å; H263-H271 AromaticContact CE1-CD2 3.7Å; H263-H271 AromaticContact CE1-CE1 3.45Å; H263-H271 PolarHBondContact CE1-CE1 2.89Å; H263-H271 VanDerWaalsContact CE1-CE1 3.45Å; H263-H271 AromaticContact CE1-CG 3.45Å; H263-H271 VanDerWaalsContact CE1-CG 3.45Å; H263-H271 AromaticContact CE1-ND1 3.29Å; H263-H271 PolarHBondContact CE1-ND1 3.38Å; H263-H271 VanDerWaalsContact CE1-ND1 3.29Å; H263-H271 AromaticContact CE1-NE2 3.75Å; H263-H271 AromaticContact ND1-CG 3.72Å; H263-H271 AromaticContact ND1-ND1 3.76Å; H263-H271 AromaticContact NE2-CE1 3.36Å; H263-H271 PolarHBondContact NE2-CE1 3.13Å; H263-H271 AromaticContact NE2-CG 3.97Å; H263-H271 AromaticContact NE2-ND1 3.33Å; H263-H271 PolarHBondContact NE2-ND1 3.34Å; H263-T281 VanDerWaalsContact C-CG2 3.41Å; H263-T281 VanDerWaalsContact CA-CG2 3.46Å | ||
| 264 | G | 94.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -92.9 | -154.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112 | S277 E278 | G264-S277 CarbonylContact C-O 3.58Å; G264-S277 WeakPolarHBondContact CA-O 3.22Å; G264-E278 PolarHBondContact N-O 2.7Å | ||
| 265 | M | 87.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -150.2 | 145.9 | -176 | -170.2 | 69.7 | 76.2 | 0 | 0 | 110.3 | R55 D214 P222 S270 H271 S277 | R55-M265 WeakPolarHBondContact CD-O 3.45Å; D214-M265 WeakPolarHBondContact OD1-CE 3.28Å; P222-M265 HydrophobicContact CG-CB 3.87Å; P222-M265 HydrophobicContact CG-CG 3.79Å; M265-S270 WeakPolarHBondContact SD-CA 3.45Å; M265-S270 PolarHBondContact SD-N 3.29Å; M265-S270 VanDerWaalsContact SD-O 3.33Å; M265-H271 VanDerWaalsContact CE-CD2 3.43Å; M265-H271 WeakPolarHBondContact CE-CD2 3.48Å; M265-H271 HydrophobicContact SD-CB 3.9Å; M265-H271 VanDerWaalsContact SD-CD2 3.53Å; M265-S277 PolarHBondContact N-O 2.84Å; M265-S277 VanDerWaalsContact O-CB 3.29Å; M265-S277 WeakPolarHBondContact O-CB 3.43Å; M265-S277 PolarHBondContact O-OG 3.25Å | ||
| 266 | T | 85 | Confident | 87.5 | Confident | 29 Ų | 29 | 18.7 Ų | 18.7 | 18% | 0.178 | 11% | 0.105 | C | C | . | . | trans | -69.1 | 160.7 | 167.7 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | P222 W268 G269 S270 H275 S277 E278 | P222-T266 WeakPolarHBondContact CD-O 3.34Å; P222-T266 VanDerWaalsContact CG-O 3.31Å; P222-T266 WeakPolarHBondContact CG-O 3.33Å; T266-W268 PolarHBondContact O-N 3.04Å; T266-G269 PolarHBondContact O-N 3.12Å; T266-S270 WeakPolarHBondContact CB-O 3.32Å; T266-S270 WeakPolarHBondContact CG2-O 3.11Å; T266-S270 PolarHBondContact N-O 3.25Å; T266-S270 PolarHBondContact OG1-N 3.41Å; T266-S270 PolarHBondContact OG1-O 2.85Å; T266-H275 HydrophobicContact CG2-CB 4.24Å; T266-S277 WeakPolarHBondContact CA-OG 3.27Å; T266-E278 HydrophobicContact CG2-CG 3.68Å; T266-E278 VanDerWaalsContact CG2-OE1 3.31Å; T266-E278 WeakPolarHBondContact CG2-OE1 3.5Å | ||
| 267 | D | 81.4 | Confident | 87.1 | Confident | 83 Ų | 83 | 19 Ų | 19 | 44% | 0.444 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -13.9 | 174 | -60.9 | -32.6 | 0 | 0 | 0 | 113.8 | R55 | R55-D267 IonicContact CZ-OD1 3.89Å; R55-D267 IonicContact NH1-OD1 3.74Å; R55-D267 PolarHBondContact NH1-OD1 3.46Å; R55-D267 IonicContact NH2-OD1 2.75Å |
| 268 | W | 72.9 | Confident | 86.6 | Confident | 77 Ų | 77 | 19 Ų | 19 | 29% | 0.292 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -14.7 | 175.5 | -169.8 | -116.6 | 0 | 0 | 0 | 114.2 | R221 T266 G612 P615 T726 | R221-W268 VanDerWaalsContact NH2-CH2 3.28Å; T266-W268 PolarHBondContact O-N 3.04Å; W268-G612 VanDerWaalsContact CB-O 3.27Å; W268-G612 WeakPolarHBondContact CB-O 3.41Å; W268-P615 HydrophobicContact CH2-CB 4.03Å; W268-P615 HydrophobicContact CH2-CG 4.08Å; W268-P615 HydrophobicContact CZ3-CB 4.23Å; W268-P615 HydrophobicContact CZ3-CG 3.97Å; W268-T726 HydrophobicContact CZ2-CG2 4.39Å |
| 269 | G | 75.6 | Confident | 86.3 | Confident | 7 Ų | 7 | 20 Ų | 20 | 7% | 0.072 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 75.9 | 39.9 | -164.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G217 H218 T266 | G217-G269 WeakPolarHBondContact O-CA 3.46Å; H218-G269 PolarHBondContact ND1-O 2.9Å; H218-G269 VanDerWaalsContact ND1-O 3.08Å; T266-G269 PolarHBondContact O-N 3.12Å |
| 270 | S | 77.3 | Confident | 86.1 | Confident | 30 Ų | 30 | 21.3 Ų | 21.3 | 21% | 0.21 | 12% | 0.12 | C | C | . | . | trans | -132.9 | 146 | 170.5 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | M265 T266 | M265-S270 WeakPolarHBondContact SD-CA 3.45Å; M265-S270 PolarHBondContact SD-N 3.29Å; M265-S270 VanDerWaalsContact SD-O 3.33Å; T266-S270 WeakPolarHBondContact CB-O 3.32Å; T266-S270 WeakPolarHBondContact CG2-O 3.11Å; T266-S270 PolarHBondContact N-O 3.25Å; T266-S270 PolarHBondContact OG1-N 3.41Å; T266-S270 PolarHBondContact OG1-O 2.85Å | ||
| 271 | H | 82.1 | Confident | 86.1 | Confident | 21 Ų | 21 | 21.3 Ų | 21.3 | 10% | 0.097 | 12% | 0.12 | C | C | . | . | trans | -130 | -174.5 | 173 | 60.5 | 100 | 0 | 0 | 0 | 110.7 | T92 E93 D214 H218 H263 M265 E278 | T92-H271 PolarHBondContact O-ND1 3.39Å; E93-H271 IonicContact OE2-CE1 2.68Å; E93-H271 PolarHBondContact OE2-CE1 3.32Å; E93-H271 IonicContact OE2-ND1 3.51Å; D214-H271 IonicContact OD1-CD2 2.76Å; D214-H271 IonicContact OD1-NE2 3.22Å; H218-H271 AromaticContact CE1-CD2 3.2Å; H218-H271 PolarHBondContact CE1-CD2 3.47Å; H218-H271 AromaticContact CE1-NE2 3.08Å; H218-H271 PolarHBondContact CE1-NE2 3.25Å; H218-H271 AromaticContact NE2-CD2 3.33Å; H218-H271 PolarHBondContact NE2-CD2 3.3Å; H218-H271 VanDerWaalsContact NE2-CD2 3.33Å; H218-H271 AromaticContact NE2-NE2 2.96Å; H218-H271 PolarHBondContact NE2-NE2 3.21Å; H263-H271 AromaticContact CD2-ND1 3.96Å; H263-H271 AromaticContact CE1-CD2 3.7Å; H263-H271 AromaticContact CE1-CE1 3.45Å; H263-H271 PolarHBondContact CE1-CE1 2.89Å; H263-H271 VanDerWaalsContact CE1-CE1 3.45Å; H263-H271 AromaticContact CE1-CG 3.45Å; H263-H271 VanDerWaalsContact CE1-CG 3.45Å; H263-H271 AromaticContact CE1-ND1 3.29Å; H263-H271 PolarHBondContact CE1-ND1 3.38Å; H263-H271 VanDerWaalsContact CE1-ND1 3.29Å; H263-H271 AromaticContact CE1-NE2 3.75Å; H263-H271 AromaticContact ND1-CG 3.72Å; H263-H271 AromaticContact ND1-ND1 3.76Å; H263-H271 AromaticContact NE2-CE1 3.36Å; H263-H271 PolarHBondContact NE2-CE1 3.13Å; H263-H271 AromaticContact NE2-CG 3.97Å; H263-H271 AromaticContact NE2-ND1 3.33Å; H263-H271 PolarHBondContact NE2-ND1 3.34Å; M265-H271 VanDerWaalsContact CE-CD2 3.43Å; M265-H271 WeakPolarHBondContact CE-CD2 3.48Å; M265-H271 HydrophobicContact SD-CB 3.9Å; M265-H271 VanDerWaalsContact SD-CD2 3.53Å; H271-E278 WeakPolarHBondContact CA-OE2 3.48Å; H271-E278 HydrophobicContact CB-CG 4.41Å | ||
| 272 | G | 76.8 | Confident | 86.1 | Confident | 14 Ų | 14 | 21.3 Ų | 21.3 | 14% | 0.144 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 106.3 | 9.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | T92 E93 E278 | T92-G272 PolarHBondContact O-N 2.98Å; T92-G272 VanDerWaalsContact OG1-CA 3.31Å; T92-G272 WeakPolarHBondContact OG1-CA 3.09Å; T92-G272 PolarHBondContact OG1-N 3.45Å; E93-G272 WeakPolarHBondContact OE1-CA 3.26Å; G272-E278 PolarHBondContact N-OE2 3.24Å |
| 273 | A | 74.1 | Confident | 86.2 | Confident | 5 Ų | 5 | 21.3 Ų | 21.3 | 4% | 0.041 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -129.8 | 178.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | T92 H275 E278 R806 | T92-A273 VanDerWaalsContact CG2-O 3.24Å; T92-A273 WeakPolarHBondContact CG2-O 3.23Å; T92-A273 PolarHBondContact OG1-N 2.99Å; T92-A273 PolarHBondContact OG1-O 2.99Å; A273-H275 PolarHBondContact O-N 3.34Å; A273-E278 WeakPolarHBondContact CA-OE2 3.26Å; A273-E278 VanDerWaalsContact CB-OE1 3.31Å; A273-E278 WeakPolarHBondContact CB-OE1 3.36Å; A273-E278 VanDerWaalsContact CB-OE2 3.32Å; A273-E278 WeakPolarHBondContact CB-OE2 3.22Å; A273-E278 PolarHBondContact N-OE2 2.96Å; A273-R806 HydrophobicContact CB-CG 4.17Å |
| 274 | G | 77.3 | Confident | 86.3 | Confident | 10 Ų | 10 | 21.3 Ų | 21.3 | 10% | 0.103 | 12% | 0.12 | C | C | . | . | trans | -92.1 | 29.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 275 | H | 81.8 | Confident | 86.5 | Confident | 65 Ų | 65 | 21.3 Ų | 21.3 | 30% | 0.301 | 12% | 0.12 | S | C | . | . | trans | -71.8 | 141.8 | 172.5 | -166.3 | -98.1 | 0 | 0 | 0 | 110 | T266 A273 S277 E278 T279 | T266-H275 HydrophobicContact CG2-CB 4.24Å; A273-H275 PolarHBondContact O-N 3.34Å; H275-S277 WeakPolarHBondContact ND1-CB 3.32Å; H275-S277 PolarHBondContact ND1-N 2.83Å; H275-S277 VanDerWaalsContact ND1-N 3.19Å; H275-S277 PolarHBondContact ND1-OG 3.46Å; H275-S277 PolarHBondContact O-N 3.4Å; H275-S277 VanDerWaalsContact O-N 3.14Å; H275-E278 HydrophobicContact CB-CG 4.09Å; H275-E278 WeakPolarHBondContact CB-OE1 3.38Å; H275-E278 PolarHBondContact N-OE1 2.93Å; H275-E278 CarbonylContact O-C 3.55Å; H275-E278 WeakPolarHBondContact O-CA 3.36Å; H275-E278 VanDerWaalsContact O-CB 3.31Å; H275-E278 WeakPolarHBondContact O-CB 3.33Å; H275-E278 PolarHBondContact O-N 2.89Å; H275-T279 PolarHBondContact O-N 3.09Å; H275-T279 PolarHBondContact O-OG1 3.41Å | ||
| 276 | P | 87.1 | Confident | 87.1 | Confident | 43 Ų | 43 | 21.4 Ų | 21.4 | 28% | 0.279 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -53.3 | -35.5 | 176.7 | -31.7 | 37.2 | 0 | 0 | 0 | 114.4 | E278 T279 L280 | P276-E278 PolarHBondContact O-N 3Å; P276-T279 WeakPolarHBondContact CA-OG1 3.3Å; P276-T279 PolarHBondContact O-N 3.04Å; 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 3.46Å; P276-L280 VanDerWaalsContact O-CG 3.22Å; P276-L280 WeakPolarHBondContact O-CG 3.44Å; P276-L280 PolarHBondContact O-N 2.91Å |
| 277 | S | 88.5 | Confident | 87.7 | Confident | 7 Ų | 7 | 21.9 Ų | 21.9 | 5% | 0.049 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.5 | -17.4 | 175.2 | 73 | 0 | 0 | 0 | 0 | 113.5 | R55 G264 M265 T266 H275 | R55-S277 WeakPolarHBondContact CG-O 3.48Å; G264-S277 CarbonylContact C-O 3.58Å; G264-S277 WeakPolarHBondContact CA-O 3.22Å; M265-S277 PolarHBondContact N-O 2.84Å; M265-S277 VanDerWaalsContact O-CB 3.29Å; M265-S277 WeakPolarHBondContact O-CB 3.43Å; M265-S277 PolarHBondContact O-OG 3.25Å; T266-S277 WeakPolarHBondContact CA-OG 3.27Å; H275-S277 WeakPolarHBondContact ND1-CB 3.32Å; H275-S277 PolarHBondContact ND1-N 2.83Å; H275-S277 VanDerWaalsContact ND1-N 3.19Å; H275-S277 PolarHBondContact ND1-OG 3.46Å; H275-S277 PolarHBondContact O-N 3.4Å; H275-S277 VanDerWaalsContact O-N 3.14Å |
| 278 | E | 89.4 | Confident | 88.5 | Confident | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.019 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -91.2 | -35.1 | 171.1 | -59.5 | 168.4 | -97.5 | 0 | 0 | 110.9 | T88 T92 G264 T266 H271 G272 A273 H275 P276 | T88-E278 WeakPolarHBondContact CG2-O 3.47Å; T92-E278 HydrophobicContact CG2-CB 4.21Å; G264-E278 PolarHBondContact N-O 2.7Å; T266-E278 HydrophobicContact CG2-CG 3.68Å; T266-E278 VanDerWaalsContact CG2-OE1 3.31Å; T266-E278 WeakPolarHBondContact CG2-OE1 3.5Å; H271-E278 WeakPolarHBondContact CA-OE2 3.48Å; H271-E278 HydrophobicContact CB-CG 4.41Å; G272-E278 PolarHBondContact N-OE2 3.24Å; A273-E278 WeakPolarHBondContact CA-OE2 3.26Å; A273-E278 VanDerWaalsContact CB-OE1 3.31Å; A273-E278 WeakPolarHBondContact CB-OE1 3.36Å; A273-E278 VanDerWaalsContact CB-OE2 3.32Å; A273-E278 WeakPolarHBondContact CB-OE2 3.22Å; A273-E278 PolarHBondContact N-OE2 2.96Å; H275-E278 HydrophobicContact CB-CG 4.09Å; H275-E278 WeakPolarHBondContact CB-OE1 3.38Å; H275-E278 PolarHBondContact N-OE1 2.93Å; H275-E278 CarbonylContact O-C 3.55Å; H275-E278 WeakPolarHBondContact O-CA 3.36Å; H275-E278 VanDerWaalsContact O-CB 3.31Å; H275-E278 WeakPolarHBondContact O-CB 3.33Å; H275-E278 PolarHBondContact O-N 2.89Å; P276-E278 PolarHBondContact O-N 3Å |
| 279 | T | 92.6 | Very high | 89.7 | Confident | 23 Ų | 23 | 15.3 Ų | 15.3 | 14% | 0.141 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -95.4 | -16.7 | -170 | 61.8 | 0 | 0 | 0 | 0 | 115.5 | T88 T92 H275 P276 | T88-T279 VanDerWaalsContact CG2-CA 3.48Å; T88-T279 WeakPolarHBondContact CG2-O 3.45Å; T88-T279 PolarHBondContact N-O 3.27Å; T92-T279 HydrophobicContact CG2-CG2 3.78Å; H275-T279 PolarHBondContact O-N 3.09Å; H275-T279 PolarHBondContact O-OG1 3.41Å; P276-T279 WeakPolarHBondContact CA-OG1 3.3Å; P276-T279 PolarHBondContact O-N 3.04Å |
| 280 | L | 95.6 | Very high | 90.7 | Very high | 29 Ų | 29 | 15.2 Ų | 15.2 | 15% | 0.152 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 104.4 | 179.3 | -56.8 | 179.9 | 0 | 0 | 0 | 109.6 | A56 V85 H87 P276 F305 | A56-L280 HydrophobicContact CB-CB 4.29Å; A56-L280 WeakPolarHBondContact CB-O 3.41Å; A56-L280 PolarHBondContact N-O 3.13Å; A56-L280 VanDerWaalsContact N-O 3.08Å; V85-L280 HydrophobicContact CG1-CB 3.8Å; V85-L280 HydrophobicContact CG1-CD2 3.81Å; V85-L280 HydrophobicContact CG1-CG 4.33Å; H87-L280 VanDerWaalsContact CE1-CD2 3.43Å; H87-L280 WeakPolarHBondContact CE1-CD2 3.2Å; H87-L280 WeakPolarHBondContact ND1-CD2 3.49Å; 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 3.46Å; P276-L280 VanDerWaalsContact O-CG 3.22Å; P276-L280 WeakPolarHBondContact O-CG 3.44Å; P276-L280 PolarHBondContact O-N 2.91Å; L280-F305 HydrophobicContact CD1-CE2 4.08Å; L280-F305 HydrophobicContact CD1-CZ 4.37Å |
| 281 | T | 97.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 149.1 | 177.3 | 57.8 | 0 | 0 | 0 | 0 | 111.3 | V85 S86 T88 S261 H263 | V85-T281 WeakPolarHBondContact CA-O 3.1Å; S86-T281 VanDerWaalsContact CB-OG1 3.26Å; S86-T281 WeakPolarHBondContact CB-OG1 3.47Å; S86-T281 PolarHBondContact N-O 3.4Å; S86-T281 PolarHBondContact O-N 3.13Å; S86-T281 PolarHBondContact O-OG1 3.16Å; S86-T281 VanDerWaalsContact O-OG1 3.13Å; S86-T281 PolarHBondContact OG-OG1 2.95Å; S86-T281 VanDerWaalsContact OG-OG1 3.13Å; T88-T281 HydrophobicContact CG2-CG2 4.46Å; S261-T281 WeakPolarHBondContact O-CB 3.31Å; S261-T281 PolarHBondContact O-OG1 3.08Å; H263-T281 VanDerWaalsContact C-CG2 3.41Å; H263-T281 VanDerWaalsContact CA-CG2 3.46Å |
| 282 | P | 98.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 147.5 | 176.9 | 29.7 | -33.5 | 0 | 0 | 0 | 110.3 | L54 L59 Y60 T260 | L54-P282 HydrophobicContact CD2-CG 3.74Å; L54-P282 HydrophobicContact CG-CG 3.9Å; L54-P282 WeakPolarHBondContact O-CD 3.46Å; 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 4.41Å; Y60-P282 HydrophobicContact CE1-CB 4.33Å; Y60-P282 HydrophobicContact CE2-CB 4.02Å; Y60-P282 WeakPolarHBondContact OH-CA 3.38Å; Y60-P282 WeakPolarHBondContact OH-CB 3.18Å; T260-P282 VanDerWaalsContact CA-O 3.27Å; T260-P282 WeakPolarHBondContact CA-O 3.45Å; T260-P282 PolarHBondContact OG1-O 3.4Å; T260-P282 VanDerWaalsContact OG1-O 3.08Å |
| 283 | F | 98.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 117.4 | 171.7 | -177.8 | -111.1 | 0 | 0 | 0 | 110.5 | Y60 W83 G84 I258 T285 V319 I324 L327 Y348 | Y60-F283 PolarHBondContact OH-N 2.88Å; Y60-F283 PolarHBondContact OH-O 2.96Å; W83-F283 CarbonylContact C-O 3.31Å; W83-F283 VanDerWaalsContact CA-O 3.29Å; W83-F283 WeakPolarHBondContact CA-O 3.34Å; G84-F283 PolarHBondContact N-O 3.3Å; G84-F283 PolarHBondContact O-N 3.36Å; I258-F283 HydrophobicContact CG2-CD2 4.32Å; I258-F283 HydrophobicContact CG2-CE2 3.63Å; I258-F283 HydrophobicContact CG2-CZ 4.46Å; F283-T285 HydrophobicContact CE1-CG2 4Å; F283-T285 HydrophobicContact CZ-CG2 4.04Å; F283-V319 HydrophobicContact CD1-CG2 4.01Å; F283-V319 HydrophobicContact CE1-CG2 4.38Å; F283-V319 HydrophobicContact CG-CG2 4.21Å; F283-I324 HydrophobicContact CD2-CD1 3.57Å; F283-I324 HydrophobicContact CD2-CG1 4.1Å; F283-I324 HydrophobicContact CE2-CD1 3.65Å; F283-I324 HydrophobicContact CE2-CG1 3.7Å; F283-I324 HydrophobicContact CE2-CG2 4.09Å; F283-I324 HydrophobicContact CG-CD1 4.42Å; F283-I324 HydrophobicContact CZ-CG1 4.21Å; F283-L327 HydrophobicContact CE1-CD2 4.29Å; F283-L327 HydrophobicContact CZ-CD2 3.69Å; F283-Y348 HydrophobicContact CD1-CE1 4Å; F283-Y348 HydrophobicContact CD1-CE2 4.49Å; F283-Y348 AromaticContact CD1-CZ 3.71Å; F283-Y348 VanDerWaalsContact CD1-OH 3.31Å; F283-Y348 WeakPolarHBondContact CD1-OH 3.24Å; F283-Y348 HydrophobicContact CE1-CD1 4.13Å; F283-Y348 AromaticContact CE1-CE1 3.54Å; F283-Y348 HydrophobicContact CE1-CE1 3.54Å; F283-Y348 HydrophobicContact CE1-CE2 4.08Å; F283-Y348 AromaticContact CE1-CZ 3.5Å; F283-Y348 VanDerWaalsContact CE1-CZ 3.5Å |
| 284 | V | 98.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 130.1 | 179.1 | -173.4 | 0 | 0 | 0 | 0 | 109.1 | Y60 I73 V76 I77 W83 F259 W286 | Y60-V284 HydrophobicContact CE1-CG2 4.2Å; I73-V284 HydrophobicContact CG2-CB 4.29Å; I73-V284 HydrophobicContact CG2-CG1 4.32Å; I73-V284 HydrophobicContact CG2-CG2 3.81Å; V76-V284 HydrophobicContact CG1-CG1 3.89Å; I77-V284 HydrophobicContact CD1-CG2 3.9Å; I77-V284 HydrophobicContact CG1-CG1 3.83Å; I77-V284 HydrophobicContact CG1-CG2 3.92Å; W83-V284 HydrophobicContact CB-CG2 4.32Å; F259-V284 PolarHBondContact N-O 3.06Å; F259-V284 PolarHBondContact O-N 3.45Å; V284-W286 HydrophobicContact CG1-CE3 4.18Å; V284-W286 HydrophobicContact CG1-CZ3 4.33Å |
| 285 | T | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 145.7 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | G81 S82 F257 F283 I290 Y348 | G81-T285 CarbonylContact C-O 3.58Å; G81-T285 WeakPolarHBondContact CA-O 3.41Å; S82-T285 PolarHBondContact N-O 2.94Å; S82-T285 PolarHBondContact O-N 3.47Å; F257-T285 VanDerWaalsContact O-CA 3.26Å; F257-T285 WeakPolarHBondContact O-CA 3.43Å; F257-T285 WeakPolarHBondContact O-CB 3.33Å; F257-T285 PolarHBondContact O-OG1 3.41Å; F283-T285 HydrophobicContact CE1-CG2 4Å; F283-T285 HydrophobicContact CZ-CG2 4.04Å; T285-I290 HydrophobicContact CG2-CD1 4.02Å; T285-I290 HydrophobicContact CG2-CG2 3.97Å; T285-I290 WeakPolarHBondContact O-CG2 3.49Å; T285-I290 VanDerWaalsContact OG1-CD1 3.31Å; T285-I290 WeakPolarHBondContact OG1-CD1 3.23Å; T285-I290 WeakPolarHBondContact OG1-CG1 3.19Å; T285-Y348 HydrophobicContact CG2-CD1 3.37Å; T285-Y348 HydrophobicContact CG2-CE1 3.62Å; T285-Y348 HydrophobicContact CG2-CG 4.45Å |
| 286 | W | 98.7 | Very high | 95.5 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 173.4 | -177 | 67.5 | 103.3 | 0 | 0 | 0 | 111.5 | F72 I73 V76 V238 V242 F257 F259 V284 | F72-W286 HydrophobicContact CE1-CZ2 4.24Å; I73-W286 HydrophobicContact CD1-CH2 4.21Å; I73-W286 HydrophobicContact CD1-CZ3 4.42Å; V76-W286 HydrophobicContact CG1-CB 3.71Å; V76-W286 HydrophobicContact CG1-CD2 3.56Å; V76-W286 HydrophobicContact CG1-CE3 3.6Å; V76-W286 HydrophobicContact CG1-CG 3.62Å; V76-W286 HydrophobicContact CG1-CZ3 4.41Å; V76-W286 HydrophobicContact CG2-CD2 4.37Å; V238-W286 HydrophobicContact CG1-CH2 4.4Å; V242-W286 HydrophobicContact CG2-CZ2 3.75Å; F257-W286 HydrophobicContact CB-CD2 3.6Å; F257-W286 HydrophobicContact CB-CE3 4.01Å; F257-W286 HydrophobicContact CB-CG 4.19Å; F257-W286 HydrophobicContact CB-CH2 3.82Å; F257-W286 HydrophobicContact CB-CZ2 3.38Å; F257-W286 HydrophobicContact CB-CZ3 4.11Å; F257-W286 HydrophobicContact CD1-CZ2 4.22Å; F257-W286 AromaticContact CD2-CD1 3.8Å; F257-W286 AromaticContact CD2-CE2 3.95Å; F257-W286 HydrophobicContact CD2-CZ2 4.5Å; F257-W286 AromaticContact CD2-NE1 3.38Å; F257-W286 HydrophobicContact CG-CD2 4.39Å; 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 3.59Å; F257-W286 PolarHBondContact N-O 2.74Å; F257-W286 PolarHBondContact O-N 2.66Å; F259-W286 HydrophobicContact CB-CH2 4.08Å; F259-W286 HydrophobicContact CB-CZ3 3.83Å; V284-W286 HydrophobicContact CG1-CE3 4.18Å; V284-W286 HydrophobicContact CG1-CZ3 4.33Å |
| 287 | G | 98.3 | Very high | 95.6 | Very high | 39 Ų | 39 | 34.1 Ų | 34.1 | 40% | 0.402 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.6 | -151.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | G289 I290 | G287-G289 PolarHBondContact O-N 3.41Å; G287-I290 PolarHBondContact O-N 2.99Å |
| 288 | A | 98.3 | Very high | 95.5 | Very high | 10 Ų | 10 | 37.4 Ų | 37.4 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 125 | -171 | 0 | 0 | 0 | 0 | 0 | 112.5 | A43 G253 T255 I290 | A43-A288 HydrophobicContact CB-CB 3.78Å; G253-A288 VanDerWaalsContact O-CB 3.23Å; G253-A288 WeakPolarHBondContact O-CB 3.47Å; T255-A288 WeakPolarHBondContact O-CB 3.36Å; T255-A288 PolarHBondContact O-N 2.94Å; A288-I290 VanDerWaalsContact C-N 3.28Å; A288-I290 PolarHBondContact O-N 2.97Å |
| 289 | G | 97.3 | Very high | 95.6 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 1.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | P42 G287 L349 N350 | P42-G289 VanDerWaalsContact CB-CA 3.5Å; G287-G289 PolarHBondContact O-N 3.41Å; G289-L349 WeakPolarHBondContact O-CA 3.45Å; G289-N350 PolarHBondContact O-N 3.27Å |
| 290 | I | 98.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -97.4 | 142.7 | 179.8 | -58 | -61.6 | 0 | 0 | 0 | 111.2 | T285 G287 A288 L331 N350 | T285-I290 HydrophobicContact CG2-CD1 4.02Å; T285-I290 HydrophobicContact CG2-CG2 3.97Å; T285-I290 WeakPolarHBondContact O-CG2 3.49Å; T285-I290 VanDerWaalsContact OG1-CD1 3.31Å; T285-I290 WeakPolarHBondContact OG1-CD1 3.23Å; T285-I290 WeakPolarHBondContact OG1-CG1 3.19Å; G287-I290 PolarHBondContact O-N 2.99Å; A288-I290 VanDerWaalsContact C-N 3.28Å; A288-I290 PolarHBondContact O-N 2.97Å; I290-L331 HydrophobicContact CD1-CD1 3.86Å; I290-L331 HydrophobicContact CD1-CD2 3.84Å; I290-L331 HydrophobicContact CD1-CG 4.48Å; I290-N350 VanDerWaalsContact C-CB 3.4Å; I290-N350 WeakPolarHBondContact O-CB 3.13Å |
| 291 | K | 97 | Very high | 95.1 | Very high | 47 Ų | 47 | 47.7 Ų | 47.7 | 20% | 0.204 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 135.7 | 173.8 | -101.2 | -171.1 | -162.9 | 156.5 | 0 | 111.6 | G81 S82 G347 Y348 N350 | G81-K291 CarbonylContact C-O 3.53Å; S82-K291 PolarHBondContact OG-O 2.89Å; K291-G347 WeakPolarHBondContact CD-O 3.33Å; K291-G347 PolarHBondContact NZ-O 3.46Å; K291-Y348 PolarHBondContact N-O 2.83Å; K291-N350 HydrophobicContact CB-CB 4.48Å; K291-N350 HydrophobicContact CG-CB 4.03Å |
| 292 | F | 96.9 | Very high | 94.3 | Very high | 134 Ų | 134 | 56.1 Ų | 56.1 | 59% | 0.588 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 160.1 | 167.5 | -65.3 | -75.3 | 0 | 0 | 0 | 112.1 | ||
| 293 | P | 96.1 | Very high | 93.6 | Very high | 34 Ų | 34 | 58.2 Ų | 58.2 | 22% | 0.221 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 140 | 177.3 | -17.3 | 25.8 | 0 | 0 | 0 | 111.2 | I77 H79 G81 | I77-P293 WeakPolarHBondContact O-CB 3.2Å; I77-P293 WeakPolarHBondContact O-CG 3.47Å; H79-P293 VanDerWaalsContact C-CG 3.47Å; G81-P293 WeakPolarHBondContact O-CA 3.41Å; G81-P293 VanDerWaalsContact O-CD 3.31Å; G81-P293 WeakPolarHBondContact O-CD 3.11Å; G81-P293 VanDerWaalsContact O-CG 3.26Å; G81-P293 WeakPolarHBondContact O-CG 3.44Å |
| 294 | Q | 94.2 | Very high | 93 | Very high | 73 Ų | 73 | 65.6 Ų | 65.6 | 34% | 0.341 | 36% | 0.361 | S | S | . | . | trans | -116.3 | 122.2 | 178.9 | -62.5 | -169.4 | -45.7 | 0 | 0 | 109.6 | K315 | Q294-K315 HydrophobicContact CB-CB 3.98Å; Q294-K315 HydrophobicContact CB-CD 4.39Å; Q294-K315 WeakPolarHBondContact O-CB 3.44Å; Q294-K315 PolarHBondContact O-N 3.34Å; Q294-K315 VanDerWaalsContact OE1-CD 3.29Å | ||
| 295 | N | 93.5 | Very high | 92.5 | Very high | 128 Ų | 128 | 68.9 Ų | 68.9 | 68% | 0.684 | 38% | 0.376 | S | S | * | . | B | Isolated β-bridge | trans | -75.9 | 132.5 | 172.1 | -74.7 | -24 | 0 | 0 | 0 | 110.5 | N313 | N295-N313 CarbonylContact C-O 3.56Å; N295-N313 WeakPolarHBondContact CA-O 3.3Å |
| 296 | V | 92.8 | Very high | 92 | Very high | 36 Ų | 36 | 69.3 Ų | 69.3 | 22% | 0.218 | 38% | 0.378 | C | S | . | . | trans | -132.3 | 141.3 | 178.8 | -67.1 | 0 | 0 | 0 | 0 | 110.4 | A298 Q299 N313 K315 | V296-A298 VanDerWaalsContact C-N 3.35Å; V296-Q299 HydrophobicContact CG2-CG 4.39Å; V296-N313 PolarHBondContact N-O 3.04Å; V296-K315 HydrophobicContact CG1-CB 3.84Å; V296-K315 HydrophobicContact CG1-CD 4.16Å; V296-K315 HydrophobicContact CG1-CG 4.13Å; V296-K315 HydrophobicContact CG2-CB 4.17Å | ||
| 297 | S | 87.9 | Confident | 91.5 | Very high | 132 Ų | 132 | 76.6 Ų | 76.6 | 92% | 0.923 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -81.6 | -18.3 | 174.5 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 298 | A | 87.3 | Confident | 91.1 | Very high | 76 Ų | 76 | 79.6 Ų | 79.6 | 63% | 0.628 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -144.7 | 138.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | V296 | V296-A298 VanDerWaalsContact C-N 3.35Š|
| 299 | Q | 91.7 | Very high | 90.8 | Very high | 42 Ų | 42 | 79.2 Ų | 79.2 | 20% | 0.196 | 41% | 0.41 | C | S | . | . | trans | -91.9 | 156.9 | 177.2 | -67.4 | -78 | -5.2 | 0 | 0 | 110.3 | V296 Y301 L306 E312 W314 R316 | V296-Q299 HydrophobicContact CG2-CG 4.39Å; Q299-Y301 VanDerWaalsContact C-N 3.27Å; Q299-L306 HydrophobicContact CB-CD1 3.82Å; Q299-L306 HydrophobicContact CG-CD1 3.8Å; Q299-L306 HydrophobicContact CG-CD2 4.44Å; Q299-E312 WeakPolarHBondContact CG-O 3.47Å; Q299-E312 PolarHBondContact NE2-O 3.45Å; Q299-W314 PolarHBondContact NE2-O 2.99Å; Q299-R316 VanDerWaalsContact OE1-N 3.09Å | ||
| 300 | Q | 89.4 | Confident | 90.7 | Very high | 168 Ų | 168 | 85.9 Ų | 85.9 | 79% | 0.785 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -75.7 | -20.8 | 172 | -177.7 | 176 | -12.5 | 0 | 0 | 112.1 | ||
| 301 | Y | 87 | Confident | 90.5 | Very high | 63 Ų | 63 | 85.6 Ų | 85.6 | 25% | 0.247 | 43% | 0.43 | C | S | . | . | trans | -100.3 | 127.8 | -176.2 | -53.8 | -84.9 | 0 | 0 | 0 | 110 | Q299 R316 D318 | Q299-Y301 VanDerWaalsContact C-N 3.27Å; Y301-R316 HydrophobicContact CD2-CB 4.06Å; Y301-R316 HydrophobicContact CD2-CG 3.94Å; Y301-R316 HydrophobicContact CE2-CB 4.13Å; Y301-R316 HydrophobicContact CE2-CG 3.88Å; Y301-D318 HydrophobicContact CE1-CB 4.06Å; Y301-D318 WeakPolarHBondContact OH-CB 3Å; Y301-D318 PolarHBondContact OH-N 2.92Å | ||
| 302 | D | 80.5 | Confident | 90.3 | Very high | 176 Ų | 176 | 86.8 Ų | 86.8 | 94% | 0.941 | 44% | 0.436 | S | S | * | . | trans | -105.1 | 69 | 175.6 | -170.1 | 23.9 | 0 | 0 | 0 | 109.2 | ||||
| 303 | D | 85.1 | Confident | 90.1 | Very high | 44 Ų | 44 | 84.8 Ų | 84.8 | 24% | 0.235 | 43% | 0.431 | C | S | . | . | trans | -122.5 | 161.2 | 176 | 63.4 | 35 | 0 | 0 | 0 | 112.2 | F305 L306 R316 | D303-F305 VanDerWaalsContact C-N 3.27Å; D303-F305 HydrophobicContact CB-CD2 4.04Å; D303-F305 PolarHBondContact OD1-N 3.28Å; D303-L306 PolarHBondContact OD1-N 3.14Å; D303-R316 IonicContact OD1-NH1 3.38Å; D303-R316 PolarHBondContact OD1-NH1 2.97Å; D303-R316 IonicContact OD2-CZ 3.3Å; D303-R316 IonicContact OD2-NH1 2.89Å; D303-R316 PolarHBondContact OD2-NH1 3.44Å; D303-R316 IonicContact OD2-NH2 3.79Å; D303-R316 PolarHBondContact OD2-NH2 3.02Å | ||
| 304 | E | 84.8 | Confident | 90 | Very high | 155 Ų | 155 | 85.3 Ų | 85.3 | 72% | 0.724 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -74.8 | -19.8 | 179.2 | -64.6 | -175 | 158.3 | 0 | 0 | 112.2 | L306 K307 E308 | E304-L306 PolarHBondContact O-N 3.27Å; E304-K307 PolarHBondContact O-N 2.91Å; E304-E308 PolarHBondContact O-N 2.77Å |
| 305 | F | 88.6 | Confident | 90.1 | Very high | 70 Ų | 70 | 85.7 Ų | 85.7 | 31% | 0.307 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | -174.5 | -59 | -44.9 | 0 | 0 | 0 | 113.5 | L280 D303 K307 E308 W309 | L280-F305 HydrophobicContact CD1-CE2 4.08Å; L280-F305 HydrophobicContact CD1-CZ 4.37Å; D303-F305 VanDerWaalsContact C-N 3.27Å; D303-F305 HydrophobicContact CB-CD2 4.04Å; D303-F305 PolarHBondContact OD1-N 3.28Å; F305-K307 VanDerWaalsContact C-N 3.25Å; F305-K307 PolarHBondContact O-N 3.48Å; F305-E308 PolarHBondContact O-N 2.99Å; F305-E308 VanDerWaalsContact O-N 3.13Å; F305-W309 HydrophobicContact CB-CD2 4.09Å; F305-W309 HydrophobicContact CB-CE3 4.2Å; F305-W309 HydrophobicContact CB-CH2 3.74Å; F305-W309 HydrophobicContact CB-CZ2 3.61Å; F305-W309 HydrophobicContact CB-CZ3 4.03Å; F305-W309 HydrophobicContact CD1-CZ2 4.36Å; F305-W309 HydrophobicContact CD2-CH2 4.43Å; F305-W309 HydrophobicContact CG-CH2 4.19Å; F305-W309 AromaticContact CG-CZ2 3.95Å; F305-W309 HydrophobicContact CG-CZ2 3.95Å; F305-W309 WeakPolarHBondContact O-CB 3.27Å; F305-W309 PolarHBondContact O-N 3.44Å |
| 306 | L | 88.8 | Confident | 90.2 | Very high | 8 Ų | 8 | 80 Ų | 80 | 4% | 0.042 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.5 | -37.9 | -177.9 | -79.8 | 160.4 | 0 | 0 | 0 | 112.9 | W83 Q299 D303 E304 R310 L311 E312 R316 | W83-L306 HydrophobicContact CH2-CD2 3.83Å; W83-L306 HydrophobicContact CZ2-CD2 4.13Å; Q299-L306 HydrophobicContact CB-CD1 3.82Å; Q299-L306 HydrophobicContact CG-CD1 3.8Å; Q299-L306 HydrophobicContact CG-CD2 4.44Å; D303-L306 PolarHBondContact OD1-N 3.14Å; E304-L306 PolarHBondContact O-N 3.27Å; L306-R310 PolarHBondContact O-N 2.99Å; L306-L311 PolarHBondContact O-N 2.85Å; L306-E312 HydrophobicContact CB-CG 4.33Å; L306-R316 HydrophobicContact CD2-CB 4.3Å |
| 307 | K | 87.6 | Confident | 90.4 | Very high | 156 Ų | 156 | 79.4 Ų | 79.4 | 68% | 0.678 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -70.6 | -42.4 | 176.9 | -67.7 | 176.7 | -176.7 | 167.4 | 0 | 111.4 | E304 F305 W309 R310 E312 | E304-K307 PolarHBondContact O-N 2.91Å; F305-K307 VanDerWaalsContact C-N 3.25Å; F305-K307 PolarHBondContact O-N 3.48Å; K307-W309 VanDerWaalsContact C-N 3.32Å; K307-W309 PolarHBondContact O-N 3.5Å; K307-R310 PolarHBondContact O-N 3.33Å; K307-E312 WeakPolarHBondContact CA-OE1 3.19Å; K307-E312 HydrophobicContact CG-CG 4.3Å |
| 308 | E | 89.6 | Confident | 90.8 | Very high | 101 Ų | 101 | 74.6 Ų | 74.6 | 47% | 0.472 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 177.1 | -67 | 177.5 | 162.1 | 0 | 0 | 111.7 | E304 F305 R310 | E304-E308 PolarHBondContact O-N 2.77Å; F305-E308 PolarHBondContact O-N 2.99Å; F305-E308 VanDerWaalsContact O-N 3.13Å; E308-R310 VanDerWaalsContact C-N 3.31Å; E308-R310 PolarHBondContact O-N 2.98Å |
| 309 | W | 93.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 71.2 Ų | 71.2 | 1% | 0.011 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -79 | -12 | -179.5 | -58.2 | -16.7 | 0 | 0 | 0 | 114 | Y60 R74 W83 V85 F305 K307 L311 | Y60-W309 VanDerWaalsContact CB-CG 3.47Å; Y60-W309 AromaticContact CD2-CD2 4Å; Y60-W309 HydrophobicContact CD2-CD2 4Å; Y60-W309 AromaticContact CD2-CE3 3.81Å; Y60-W309 HydrophobicContact CD2-CE3 3.81Å; Y60-W309 AromaticContact CD2-CH2 3.9Å; Y60-W309 HydrophobicContact CD2-CH2 3.9Å; Y60-W309 HydrophobicContact CD2-CZ2 4.06Å; Y60-W309 AromaticContact CD2-CZ3 3.77Å; Y60-W309 HydrophobicContact CD2-CZ3 3.77Å; Y60-W309 HydrophobicContact CE2-CH2 4.48Å; Y60-W309 HydrophobicContact CE2-CZ3 4.32Å; Y60-W309 HydrophobicContact CG-CD2 4.18Å; Y60-W309 HydrophobicContact CG-CE3 4.24Å; R74-W309 PolarHBondContact NH1-O 2.97Å; R74-W309 PolarHBondContact NH2-O 3.19Å; W83-W309 HydrophobicContact CH2-CE3 4.09Å; W83-W309 HydrophobicContact CH2-CZ3 4.4Å; W83-W309 AromaticContact CZ3-CE3 3.98Å; W83-W309 HydrophobicContact CZ3-CE3 3.98Å; W83-W309 HydrophobicContact CZ3-CZ3 4.05Å; V85-W309 HydrophobicContact CG2-CH2 3.85Å; V85-W309 HydrophobicContact CG2-CZ3 4.11Å; F305-W309 HydrophobicContact CB-CD2 4.09Å; F305-W309 HydrophobicContact CB-CE3 4.2Å; F305-W309 HydrophobicContact CB-CH2 3.74Å; F305-W309 HydrophobicContact CB-CZ2 3.61Å; F305-W309 HydrophobicContact CB-CZ3 4.03Å; F305-W309 HydrophobicContact CD1-CZ2 4.36Å; F305-W309 HydrophobicContact CD2-CH2 4.43Å; F305-W309 HydrophobicContact CG-CH2 4.19Å; F305-W309 AromaticContact CG-CZ2 3.95Å; F305-W309 HydrophobicContact CG-CZ2 3.95Å; F305-W309 WeakPolarHBondContact O-CB 3.27Å; F305-W309 PolarHBondContact O-N 3.44Å; K307-W309 VanDerWaalsContact C-N 3.32Å; K307-W309 PolarHBondContact O-N 3.5Å; W309-L311 VanDerWaalsContact C-N 3.3Å; W309-L311 HydrophobicContact CB-CB 4.45Å; W309-L311 HydrophobicContact CB-CD1 4.25Å; W309-L311 HydrophobicContact CB-CG 4.32Å; W309-L311 PolarHBondContact O-N 3.3Å |
| 310 | R | 93.7 | Very high | 91.6 | Very high | 152 Ų | 152 | 72.4 Ų | 72.4 | 57% | 0.574 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 46.4 | -172.1 | -57 | -166.5 | -176 | 166.8 | -2.6 | 112.7 | L62 R74 L306 K307 E308 E312 | L62-R310 HydrophobicContact CD1-CB 4.28Å; L62-R310 HydrophobicContact CD1-CG 3.95Å; R74-R310 PolarHBondContact NH2-O 2.86Å; L306-R310 PolarHBondContact O-N 2.99Å; K307-R310 PolarHBondContact O-N 3.33Å; E308-R310 VanDerWaalsContact C-N 3.31Å; E308-R310 PolarHBondContact O-N 2.98Å; R310-E312 VanDerWaalsContact CA-OE2 3.27Å; R310-E312 WeakPolarHBondContact CA-OE2 3.25Å |
| 311 | L | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -122.7 | 18.2 | -179.1 | -70.7 | 175.8 | 0 | 0 | 0 | 112.5 | Y60 I77 W83 L306 W309 N313 W314 | Y60-L311 HydrophobicContact CD1-CD1 4.33Å; I77-L311 HydrophobicContact CG2-CD1 4.47Å; I77-L311 HydrophobicContact CG2-CD2 4.1Å; W83-L311 HydrophobicContact CE3-CD1 4.26Å; W83-L311 HydrophobicContact CH2-CB 3.74Å; W83-L311 HydrophobicContact CH2-CD1 3.73Å; W83-L311 HydrophobicContact CH2-CG 4.4Å; W83-L311 HydrophobicContact CZ2-CB 3.63Å; W83-L311 HydrophobicContact CZ2-CD1 4.01Å; W83-L311 HydrophobicContact CZ2-CG 4.4Å; W83-L311 HydrophobicContact CZ3-CD1 3.86Å; L306-L311 PolarHBondContact O-N 2.85Å; W309-L311 VanDerWaalsContact C-N 3.3Å; W309-L311 HydrophobicContact CB-CB 4.45Å; W309-L311 HydrophobicContact CB-CD1 4.25Å; W309-L311 HydrophobicContact CB-CG 4.32Å; W309-L311 PolarHBondContact O-N 3.3Å; L311-N313 PolarHBondContact O-N 3.37Å; L311-N313 VanDerWaalsContact O-N 3.1Å; L311-W314 HydrophobicContact CD2-CE3 4.06Å; L311-W314 PolarHBondContact O-N 3.44Å | ||
| 312 | E | 92.8 | Very high | 92.5 | Very high | 72 Ų | 72 | 61.5 Ų | 61.5 | 34% | 0.336 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -29 | -173.8 | -51.3 | 94.9 | 136.6 | 0 | 0 | 113.1 | Q299 L306 K307 R310 | Q299-E312 WeakPolarHBondContact CG-O 3.47Å; Q299-E312 PolarHBondContact NE2-O 3.45Å; L306-E312 HydrophobicContact CB-CG 4.33Å; K307-E312 WeakPolarHBondContact CA-OE1 3.19Å; K307-E312 HydrophobicContact CG-CG 4.3Å; R310-E312 VanDerWaalsContact CA-OE2 3.27Å; R310-E312 WeakPolarHBondContact CA-OE2 3.25Å |
| 313 | N | 93.2 | Very high | 93.3 | Very high | 92 Ų | 92 | 53.8 Ų | 53.8 | 49% | 0.492 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -16.1 | -177.7 | -62.9 | -38.1 | 0 | 0 | 0 | 113.4 | N295 V296 L311 | N295-N313 CarbonylContact C-O 3.56Å; N295-N313 WeakPolarHBondContact CA-O 3.3Å; V296-N313 PolarHBondContact N-O 3.04Å; L311-N313 PolarHBondContact O-N 3.37Å; L311-N313 VanDerWaalsContact O-N 3.1Å |
| 314 | W | 95.2 | Very high | 94 | Very high | 45 Ų | 45 | 51.8 Ų | 51.8 | 17% | 0.17 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -101.9 | 120.7 | -178.2 | -69.4 | -95.4 | 0 | 0 | 0 | 110.3 | M78 W83 Q299 L311 R316 | M78-W314 HydrophobicContact CB-CZ2 4.27Å; M78-W314 HydrophobicContact CE-CH2 3.69Å; M78-W314 HydrophobicContact CE-CZ2 3.52Å; M78-W314 HydrophobicContact CG-CD2 4.4Å; M78-W314 HydrophobicContact CG-CH2 4.44Å; M78-W314 HydrophobicContact CG-CZ2 3.89Å; M78-W314 PolarHBondContact O-NE1 2.92Å; M78-W314 HydrophobicContact SD-CZ2 4.45Å; W83-W314 WeakPolarHBondContact CZ2-O 3.25Å; W83-W314 PolarHBondContact NE1-O 2.9Å; Q299-W314 PolarHBondContact NE2-O 2.99Å; L311-W314 HydrophobicContact CD2-CE3 4.06Å; L311-W314 PolarHBondContact O-N 3.44Å; W314-R316 PolarHBondContact O-N 2.88Å |
| 315 | K | 95.9 | Very high | 94.6 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 35% | 0.348 | 20% | 0.2 | S | C | . | . | trans | -54.1 | 111.4 | -175.1 | -172.3 | 173.5 | -174.9 | 166.8 | 0 | 111.9 | W83 Q294 V296 R317 | W83-K315 PolarHBondContact NE1-O 3.14Å; Q294-K315 HydrophobicContact CB-CB 3.98Å; Q294-K315 HydrophobicContact CB-CD 4.39Å; Q294-K315 WeakPolarHBondContact O-CB 3.44Å; Q294-K315 PolarHBondContact O-N 3.34Å; Q294-K315 VanDerWaalsContact OE1-CD 3.29Å; V296-K315 HydrophobicContact CG1-CB 3.84Å; V296-K315 HydrophobicContact CG1-CD 4.16Å; V296-K315 HydrophobicContact CG1-CG 4.13Å; V296-K315 HydrophobicContact CG2-CB 4.17Å; K315-R317 HydrophobicContact CG-CG 4.44Å | ||
| 316 | R | 95.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 41 Ų | 41 | 3% | 0.034 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -76.3 | 140.3 | 171.7 | 179.2 | 173 | 166.8 | -166.1 | -12.1 | 109.6 | W83 Q299 Y301 D303 L306 W314 D318 | W83-R316 HydrophobicContact CH2-CB 4.04Å; W83-R316 HydrophobicContact CH2-CG 4.15Å; W83-R316 HydrophobicContact CZ2-CB 3.81Å; W83-R316 HydrophobicContact CZ2-CG 4.37Å; W83-R316 HydrophobicContact CZ3-CG 4.34Å; Q299-R316 VanDerWaalsContact OE1-N 3.09Å; Y301-R316 HydrophobicContact CD2-CB 4.06Å; Y301-R316 HydrophobicContact CD2-CG 3.94Å; Y301-R316 HydrophobicContact CE2-CB 4.13Å; Y301-R316 HydrophobicContact CE2-CG 3.88Å; D303-R316 IonicContact OD1-NH1 3.38Å; D303-R316 PolarHBondContact OD1-NH1 2.97Å; D303-R316 IonicContact OD2-CZ 3.3Å; D303-R316 IonicContact OD2-NH1 2.89Å; D303-R316 PolarHBondContact OD2-NH1 3.44Å; D303-R316 IonicContact OD2-NH2 3.79Å; D303-R316 PolarHBondContact OD2-NH2 3.02Å; L306-R316 HydrophobicContact CD2-CB 4.3Å; W314-R316 PolarHBondContact O-N 2.88Å; R316-D318 WeakPolarHBondContact CG-OD1 3.37Å; R316-D318 IonicContact CZ-OD1 2.94Å; R316-D318 IonicContact CZ-OD2 3Å; R316-D318 IonicContact NE-OD1 2.65Å; R316-D318 PolarHBondContact NE-OD1 3Å; R316-D318 IonicContact NE-OD2 3.8Å; R316-D318 IonicContact NH2-OD1 2.68Å; R316-D318 IonicContact NH2-OD2 2.73Å; R316-D318 PolarHBondContact NH2-OD2 2.73Å |
| 317 | R | 95.9 | Very high | 95.5 | Very high | 24 Ų | 24 | 40.7 Ų | 40.7 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | trans | -135.8 | 108.4 | 172.5 | -62.6 | -174.3 | -169.1 | 130.2 | 3.3 | 109 | S82 W83 G84 K315 G347 Y348 | S82-R317 PolarHBondContact OG-NH1 3.32Å; W83-R317 PolarHBondContact O-N 3.33Å; G84-R317 WeakPolarHBondContact CA-O 3.37Å; K315-R317 HydrophobicContact CG-CG 4.44Å; R317-G347 PolarHBondContact NH1-O 2.89Å; R317-Y348 HydrophobicContact CB-CE2 3.61Å; R317-Y348 PolarHBondContact O-OH 2.67Å | ||
| 318 | D | 97 | Very high | 96.1 | Very high | 30 Ų | 30 | 33.2 Ų | 33.2 | 16% | 0.16 | 15% | 0.151 | C | C | . | . | trans | -83.4 | 152.6 | 178.2 | -71.2 | 6.6 | 0 | 0 | 0 | 111.3 | V85 H87 Y301 R316 | V85-D318 PolarHBondContact N-OD1 2.86Å; V85-D318 VanDerWaalsContact O-CA 3.26Å; V85-D318 WeakPolarHBondContact O-CA 3.44Å; V85-D318 WeakPolarHBondContact O-CB 3.37Å; H87-D318 IonicContact CD2-OD2 3.93Å; H87-D318 IonicContact CE1-OD2 2.67Å; H87-D318 IonicContact NE2-OD2 3.56Å; H87-D318 PolarHBondContact NE2-OD2 2.84Å; Y301-D318 HydrophobicContact CE1-CB 4.06Å; Y301-D318 WeakPolarHBondContact OH-CB 3Å; Y301-D318 PolarHBondContact OH-N 2.92Å; R316-D318 WeakPolarHBondContact CG-OD1 3.37Å; R316-D318 IonicContact CZ-OD1 2.94Å; R316-D318 IonicContact CZ-OD2 3Å; R316-D318 IonicContact NE-OD1 2.65Å; R316-D318 PolarHBondContact NE-OD1 3Å; R316-D318 IonicContact NE-OD2 3.8Å; R316-D318 IonicContact NH2-OD1 2.68Å; R316-D318 IonicContact NH2-OD2 2.73Å; R316-D318 PolarHBondContact NH2-OD2 2.73Å | ||
| 319 | V | 97.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 4% | 0.036 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 151.8 | 177.9 | -62.9 | 0 | 0 | 0 | 0 | 110.1 | V85 S86 H87 F283 D323 I324 P345 Y348 | V85-V319 PolarHBondContact O-N 2.93Å; S86-V319 WeakPolarHBondContact CA-O 3.47Å; H87-V319 PolarHBondContact CD2-O 2.9Å; H87-V319 PolarHBondContact N-O 3.17Å; F283-V319 HydrophobicContact CD1-CG2 4.01Å; F283-V319 HydrophobicContact CE1-CG2 4.38Å; F283-V319 HydrophobicContact CG-CG2 4.21Å; V319-D323 HydrophobicContact CB-CB 4.22Å; V319-I324 HydrophobicContact CG2-CD1 4.25Å; V319-I324 HydrophobicContact CG2-CG1 4.09Å; V319-P345 HydrophobicContact CG1-CB 3.94Å; V319-P345 HydrophobicContact CG1-CG 4.22Å; V319-Y348 HydrophobicContact CG1-CD2 4.38Å; V319-Y348 HydrophobicContact CG1-CE2 3.7Å |
| 320 | N | 97.9 | Very high | 96.7 | Very high | 67 Ų | 67 | 28.4 Ų | 28.4 | 36% | 0.358 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 146.8 | 160.9 | -56.5 | -75.8 | 0 | 0 | 0 | 108.3 | Y106 A322 D323 | Y106-N320 WeakPolarHBondContact OH-CB 3.49Å; N320-A322 PolarHBondContact O-N 3.03Å; N320-A322 VanDerWaalsContact O-N 3.1Å; N320-D323 WeakPolarHBondContact CA-OD2 3.45Å; N320-D323 VanDerWaalsContact CB-OD2 3.3Å; N320-D323 WeakPolarHBondContact CB-OD2 3.44Å; N320-D323 PolarHBondContact N-OD2 3.04Å; N320-D323 PolarHBondContact ND2-OD2 3.37Å; N320-D323 VanDerWaalsContact ND2-OD2 3.13Å; N320-D323 WeakPolarHBondContact O-CB 3.34Å; N320-D323 PolarHBondContact O-N 2.98Å |
| 321 | Q | 96.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -55.7 | -35.2 | -176.9 | -170.7 | 171.3 | 50.9 | 0 | 0 | 113.6 | H87 T88 A100 L101 Y106 S261 D262 D323 I324 | H87-Q321 PolarHBondContact O-N 3.39Å; T88-Q321 PolarHBondContact OG1-OE1 3.15Å; A100-Q321 HydrophobicContact CB-CB 4.31Å; A100-Q321 HydrophobicContact CB-CG 3.92Å; L101-Q321 HydrophobicContact CD2-CG 3.55Å; L101-Q321 HydrophobicContact CG-CG 3.74Å; Y106-Q321 HydrophobicContact CE1-CB 4.47Å; S261-Q321 PolarHBondContact O-NE2 2.84Å; D262-Q321 PolarHBondContact O-NE2 3.43Å; Q321-D323 PolarHBondContact O-N 3.18Å; Q321-I324 WeakPolarHBondContact O-CB 3.37Å; Q321-I324 PolarHBondContact O-N 3.2Å |
| 322 | A | 97.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -64.5 | -23.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A100 G104 Y106 N320 I324 A325 P326 V341 G342 | A100-A322 WeakPolarHBondContact O-CA 3.35Å; G104-A322 WeakPolarHBondContact O-CB 3.32Å; Y106-A322 HydrophobicContact CD2-CB 4.45Å; Y106-A322 HydrophobicContact CE1-CB 4.39Å; Y106-A322 HydrophobicContact CE2-CB 3.61Å; Y106-A322 PolarHBondContact OH-N 3.24Å; N320-A322 PolarHBondContact O-N 3.03Å; N320-A322 VanDerWaalsContact O-N 3.1Å; A322-I324 PolarHBondContact O-N 3.21Å; A322-A325 PolarHBondContact O-N 3.48Å; A322-P326 WeakPolarHBondContact O-CD 3.41Å; A322-V341 HydrophobicContact CB-CG2 4.29Å; A322-G342 WeakPolarHBondContact O-CA 3.01Å |
| 323 | D | 98.5 | Very high | 97.3 | Very high | 14 Ų | 14 | 18.5 Ų | 18.5 | 8% | 0.075 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -72.3 | -13.7 | -179.6 | -56.3 | -22.3 | 0 | 0 | 0 | 112 | V319 N320 Q321 P326 L327 G342 I343 P345 | V319-D323 HydrophobicContact CB-CB 4.22Å; N320-D323 WeakPolarHBondContact CA-OD2 3.45Å; N320-D323 VanDerWaalsContact CB-OD2 3.3Å; N320-D323 WeakPolarHBondContact CB-OD2 3.44Å; N320-D323 PolarHBondContact N-OD2 3.04Å; N320-D323 PolarHBondContact ND2-OD2 3.37Å; N320-D323 VanDerWaalsContact ND2-OD2 3.13Å; N320-D323 WeakPolarHBondContact O-CB 3.34Å; N320-D323 PolarHBondContact O-N 2.98Å; Q321-D323 PolarHBondContact O-N 3.18Å; D323-P326 VanDerWaalsContact C-CD 3.47Å; D323-P326 VanDerWaalsContact O-CD 3.29Å; D323-P326 WeakPolarHBondContact O-CD 3.38Å; D323-P326 VanDerWaalsContact O-CG 3.24Å; D323-P326 WeakPolarHBondContact O-CG 3.45Å; D323-L327 PolarHBondContact O-N 3.35Å; D323-G342 WeakPolarHBondContact OD1-CA 3.33Å; D323-I343 WeakPolarHBondContact CB-O 3.34Å; D323-I343 PolarHBondContact OD1-N 3.46Å; D323-P345 HydrophobicContact CB-CG 4.49Å; D323-P345 WeakPolarHBondContact O-CD 3.39Å |
| 324 | I | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -72.4 | -36.5 | 178.7 | -62 | 171.7 | 0 | 0 | 0 | 110.7 | L101 I258 F283 V319 Q321 A322 L327 M328 | L101-I324 HydrophobicContact CD2-CB 4.14Å; L101-I324 HydrophobicContact CD2-CD1 3.34Å; L101-I324 HydrophobicContact CD2-CG1 4.28Å; L101-I324 HydrophobicContact CD2-CG2 4.22Å; I258-I324 HydrophobicContact CD1-CG2 4.43Å; F283-I324 HydrophobicContact CD2-CD1 3.57Å; F283-I324 HydrophobicContact CD2-CG1 4.1Å; F283-I324 HydrophobicContact CE2-CD1 3.65Å; F283-I324 HydrophobicContact CE2-CG1 3.7Å; F283-I324 HydrophobicContact CE2-CG2 4.09Å; F283-I324 HydrophobicContact CG-CD1 4.42Å; F283-I324 HydrophobicContact CZ-CG1 4.21Å; V319-I324 HydrophobicContact CG2-CD1 4.25Å; V319-I324 HydrophobicContact CG2-CG1 4.09Å; Q321-I324 WeakPolarHBondContact O-CB 3.37Å; Q321-I324 PolarHBondContact O-N 3.2Å; A322-I324 PolarHBondContact O-N 3.21Å; I324-L327 WeakPolarHBondContact O-CB 3.15Å; I324-L327 PolarHBondContact O-N 2.9Å; I324-M328 HydrophobicContact CG2-CE 4.06Å; I324-M328 HydrophobicContact CG2-CG 4.32Å; I324-M328 HydrophobicContact CG2-SD 4.24Å; I324-M328 VanDerWaalsContact O-CG 3.31Å; I324-M328 WeakPolarHBondContact O-CG 3.37Å; I324-M328 PolarHBondContact O-N 3.07Å |
| 325 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -58.7 | -52.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L101 G104 A322 L327 M328 A329 P337 | L101-A325 WeakPolarHBondContact O-CA 3.41Å; L101-A325 WeakPolarHBondContact O-CB 3.33Å; L101-A325 PolarHBondContact O-N 3.28Å; G104-A325 VanDerWaalsContact CA-CB 3.46Å; A322-A325 PolarHBondContact O-N 3.48Å; A325-L327 VanDerWaalsContact C-N 3.3Å; A325-L327 PolarHBondContact O-N 2.82Å; A325-M328 PolarHBondContact O-N 3.33Å; A325-A329 PolarHBondContact O-N 3.14Å; A325-P337 HydrophobicContact CB-CG 4.45Å |
| 326 | P | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.9 | -32.3 | 176 | 24.9 | -33.3 | 0 | 0 | 0 | 112.9 | A322 D323 A329 S330 F336 L344 | A322-P326 WeakPolarHBondContact O-CD 3.41Å; D323-P326 VanDerWaalsContact C-CD 3.47Å; D323-P326 VanDerWaalsContact O-CD 3.29Å; D323-P326 WeakPolarHBondContact O-CD 3.38Å; D323-P326 VanDerWaalsContact O-CG 3.24Å; D323-P326 WeakPolarHBondContact O-CG 3.45Å; P326-A329 PolarHBondContact O-N 3.25Å; P326-S330 WeakPolarHBondContact O-CB 3.49Å; P326-S330 PolarHBondContact O-N 3.17Å; P326-S330 PolarHBondContact O-OG 3.34Å; P326-F336 HydrophobicContact CB-CD1 3.46Å; P326-F336 VanDerWaalsContact CB-CD1 3.46Å; P326-F336 HydrophobicContact CB-CE1 3.41Å; P326-F336 VanDerWaalsContact CB-CE1 3.41Å; P326-F336 WeakPolarHBondContact O-CE1 3.32Å; P326-L344 HydrophobicContact CB-CB 4.37Å; P326-L344 HydrophobicContact CB-CD1 4.49Å; P326-L344 WeakPolarHBondContact O-CD1 3.5Å |
| 327 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59.2 | -52.5 | 171.7 | 178 | 61.7 | 0 | 0 | 0 | 110.8 | F283 D323 I324 A325 A329 S330 L331 P345 L349 | F283-L327 HydrophobicContact CE1-CD2 4.29Å; F283-L327 HydrophobicContact CZ-CD2 3.69Å; D323-L327 PolarHBondContact O-N 3.35Å; I324-L327 WeakPolarHBondContact O-CB 3.15Å; I324-L327 PolarHBondContact O-N 2.9Å; A325-L327 VanDerWaalsContact C-N 3.3Å; A325-L327 PolarHBondContact O-N 2.82Å; L327-A329 PolarHBondContact O-N 3Å; L327-S330 PolarHBondContact O-N 3.34Å; L327-S330 PolarHBondContact O-OG 3.01Å; L327-L331 HydrophobicContact CD1-CD1 4.22Å; L327-L331 HydrophobicContact CD1-CG 4.38Å; L327-L331 HydrophobicContact CG-CD1 4.09Å; L327-L331 VanDerWaalsContact O-CG 3.32Å; L327-L331 WeakPolarHBondContact O-CG 3.48Å; L327-L331 PolarHBondContact O-N 2.59Å; L327-L331 VanDerWaalsContact O-N 3.1Å; L327-P345 HydrophobicContact CB-CG 3.95Å; L327-P345 HydrophobicContact CD1-CG 4.35Å; L327-P345 HydrophobicContact CD2-CG 4.21Å; L327-P345 HydrophobicContact CG-CG 4.4Å; L327-L349 HydrophobicContact CD1-CD2 3.78Å; L327-L349 HydrophobicContact CD1-CG 4.32Å |
| 328 | M | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -57.5 | -47.4 | 177.9 | -71.1 | -172 | -61.6 | 0 | 0 | 111.9 | L46 L48 L101 L126 I258 I324 A325 S330 L331 I332 | L46-M328 HydrophobicContact CD1-CG 4.44Å; L46-M328 HydrophobicContact CD2-CB 3.65Å; L46-M328 HydrophobicContact CD2-CG 3.52Å; L46-M328 HydrophobicContact CD2-SD 3.61Å; 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 4.49Å; L101-M328 WeakPolarHBondContact O-CE 3.32Å; L126-M328 HydrophobicContact CD1-CB 3.85Å; L126-M328 HydrophobicContact CD2-CB 3.66Å; L126-M328 HydrophobicContact CD2-CE 3.92Å; L126-M328 HydrophobicContact CD2-CG 4.32Å; L126-M328 HydrophobicContact CD2-SD 3.87Å; L126-M328 HydrophobicContact CG-CB 4.39Å; I258-M328 HydrophobicContact CD1-CG 3.38Å; I258-M328 HydrophobicContact CD1-SD 4.04Å; I324-M328 HydrophobicContact CG2-CE 4.06Å; I324-M328 HydrophobicContact CG2-CG 4.32Å; I324-M328 HydrophobicContact CG2-SD 4.24Å; I324-M328 VanDerWaalsContact O-CG 3.31Å; I324-M328 WeakPolarHBondContact O-CG 3.37Å; I324-M328 PolarHBondContact O-N 3.07Å; A325-M328 PolarHBondContact O-N 3.33Å; M328-S330 VanDerWaalsContact C-N 3.31Å; M328-S330 PolarHBondContact O-N 3.49Å; M328-L331 PolarHBondContact O-N 3.38Å; M328-L331 VanDerWaalsContact O-N 3.15Å; M328-I332 PolarHBondContact O-N 2.86Å |
| 329 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.6 | -43.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L126 A325 P326 L327 L331 G333 V334 F336 | L126-A329 HydrophobicContact CD1-CB 3.94Å; A325-A329 PolarHBondContact O-N 3.14Å; P326-A329 PolarHBondContact O-N 3.25Å; L327-A329 PolarHBondContact O-N 3Å; A329-L331 PolarHBondContact O-N 3.23Å; A329-G333 WeakPolarHBondContact O-CA 3.49Å; A329-G333 PolarHBondContact O-N 2.89Å; A329-V334 HydrophobicContact CB-CG2 3.94Å; A329-V334 PolarHBondContact O-N 3.34Å; A329-F336 HydrophobicContact CB-CD1 4.01Å; A329-F336 HydrophobicContact CB-CE1 4.29Å; A329-F336 HydrophobicContact CB-CG 4.44Å |
| 330 | S | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 7.8 Ų | 7.8 | 2% | 0.021 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -65.1 | -35.1 | 177.8 | 76.4 | 0 | 0 | 0 | 0 | 113.2 | P326 L327 M328 L344 F355 | P326-S330 WeakPolarHBondContact O-CB 3.49Å; P326-S330 PolarHBondContact O-N 3.17Å; P326-S330 PolarHBondContact O-OG 3.34Å; L327-S330 PolarHBondContact O-N 3.34Å; L327-S330 PolarHBondContact O-OG 3.01Å; M328-S330 VanDerWaalsContact C-N 3.31Å; M328-S330 PolarHBondContact O-N 3.49Å; S330-L344 WeakPolarHBondContact OG-CD1 3.36Å; S330-F355 WeakPolarHBondContact O-CZ 3.11Å |
| 331 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -68.9 | -36.4 | -176.6 | -72.4 | 167.1 | 0 | 0 | 0 | 112.7 | P41 P42 A43 L46 A256 I290 L327 M328 A329 L349 | P41-L331 WeakPolarHBondContact CB-O 3.38Å; P42-L331 VanDerWaalsContact CD-O 3.25Å; P42-L331 WeakPolarHBondContact CD-O 3.27Å; P42-L331 HydrophobicContact CG-CD2 4Å; P42-L331 WeakPolarHBondContact CG-O 3.48Å; A43-L331 WeakPolarHBondContact CA-O 3.18Å; A43-L331 VanDerWaalsContact CB-O 3.32Å; A43-L331 WeakPolarHBondContact CB-O 3.08Å; A43-L331 PolarHBondContact N-O 3.49Å; L46-L331 HydrophobicContact CD1-CD1 4.45Å; A256-L331 HydrophobicContact CB-CD1 4.16Å; I290-L331 HydrophobicContact CD1-CD1 3.86Å; I290-L331 HydrophobicContact CD1-CD2 3.84Å; I290-L331 HydrophobicContact CD1-CG 4.48Å; L327-L331 HydrophobicContact CD1-CD1 4.22Å; L327-L331 HydrophobicContact CD1-CG 4.38Å; L327-L331 HydrophobicContact CG-CD1 4.09Å; L327-L331 VanDerWaalsContact O-CG 3.32Å; L327-L331 WeakPolarHBondContact O-CG 3.48Å; L327-L331 PolarHBondContact O-N 2.59Å; L327-L331 VanDerWaalsContact O-N 3.1Å; M328-L331 PolarHBondContact O-N 3.38Å; M328-L331 VanDerWaalsContact O-N 3.15Å; A329-L331 PolarHBondContact O-N 3.23Å; L331-L349 HydrophobicContact CD2-CD2 3.81Å; L331-L349 HydrophobicContact CG-CD2 4.38Å |
| 332 | I | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -106.6 | -5.2 | -178.4 | 62.8 | 168.7 | 0 | 0 | 0 | 113.9 | P41 A43 L46 L126 K203 V205 M328 V334 | P41-I332 WeakPolarHBondContact CG-O 3.34Å; A43-I332 HydrophobicContact CB-CG2 4.27Å; L46-I332 HydrophobicContact CB-CG2 3.79Å; L126-I332 HydrophobicContact CD1-CD1 4.46Å; K203-I332 WeakPolarHBondContact CG-O 3.41Å; V205-I332 HydrophobicContact CG2-CD1 3.7Å; M328-I332 PolarHBondContact O-N 2.86Å; I332-V334 HydrophobicContact CD1-CG1 3.78Å; I332-V334 HydrophobicContact CD1-CG2 3.98Å; I332-V334 HydrophobicContact CG1-CG1 3.98Å; I332-V334 HydrophobicContact CG1-CG2 3.93Å |
| 333 | G | 96.8 | Very high | 97.2 | Very high | 15 Ų | 15 | 8.7 Ų | 8.7 | 16% | 0.155 | 5% | 0.052 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 37 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K203 A329 | K203-G333 WeakPolarHBondContact CE-O 3.27Å; K203-G333 PolarHBondContact NZ-O 3.39Å; A329-G333 WeakPolarHBondContact O-CA 3.49Å; A329-G333 PolarHBondContact O-N 2.89Å |
| 334 | V | 96.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 8.1 Ų | 8.1 | 2% | 0.018 | 5% | 0.049 | C | C | . | . | P | Polyproline II helix | trans | -95.1 | 159.9 | 168.8 | -61.6 | 0 | 0 | 0 | 0 | 109.7 | L126 E129 K203 A329 I332 | L126-V334 HydrophobicContact CD1-CG2 3.58Å; E129-V334 HydrophobicContact CB-CB 4.06Å; E129-V334 HydrophobicContact CB-CG2 4.35Å; E129-V334 WeakPolarHBondContact O-CG1 3.32Å; K203-V334 HydrophobicContact CB-CG1 3.76Å; K203-V334 HydrophobicContact CD-CG1 3.94Å; K203-V334 HydrophobicContact CG-CG1 3.87Å; A329-V334 HydrophobicContact CB-CG2 3.94Å; A329-V334 PolarHBondContact O-N 3.34Å; I332-V334 HydrophobicContact CD1-CG1 3.78Å; I332-V334 HydrophobicContact CD1-CG2 3.98Å; I332-V334 HydrophobicContact CG1-CG1 3.98Å; I332-V334 HydrophobicContact CG1-CG2 3.93Å |
| 335 | P | 96.2 | Very high | 97.1 | Very high | 19 Ų | 19 | 9 Ų | 9 | 12% | 0.123 | 6% | 0.055 | C | C | . | . | P | Polyproline II helix | trans | -53.5 | 148.5 | 169.8 | -28.4 | 37.1 | 0 | 0 | 0 | 112.8 | P34 Q35 F36 E129 | P34-P335 HydrophobicContact CB-CB 3.72Å; P34-P335 HydrophobicContact CB-CG 4.15Å; Q35-P335 VanDerWaalsContact O-CA 3.27Å; Q35-P335 WeakPolarHBondContact O-CA 3.47Å; F36-P335 HydrophobicContact CB-CG 4.25Å; E129-P335 HydrophobicContact CG-CB 4.22Å; E129-P335 WeakPolarHBondContact OE2-CB 3.43Å; E129-P335 WeakPolarHBondContact OE2-CD 3.24Å; E129-P335 WeakPolarHBondContact OE2-CG 3.37Å |
| 336 | F | 96.3 | Very high | 97 | Very high | 1 Ų | 1 | 10.2 Ų | 10.2 | 0% | 0.004 | 6% | 0.062 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 135 | 171.5 | -68.8 | -88.2 | 0 | 0 | 0 | 109 | Q35 P326 A329 L338 T362 N363 Q366 | Q35-F336 PolarHBondContact O-N 3.03Å; P326-F336 HydrophobicContact CB-CD1 3.46Å; P326-F336 VanDerWaalsContact CB-CD1 3.46Å; P326-F336 HydrophobicContact CB-CE1 3.41Å; P326-F336 VanDerWaalsContact CB-CE1 3.41Å; P326-F336 WeakPolarHBondContact O-CE1 3.32Å; A329-F336 HydrophobicContact CB-CD1 4.01Å; A329-F336 HydrophobicContact CB-CE1 4.29Å; A329-F336 HydrophobicContact CB-CG 4.44Å; F336-L338 PolarHBondContact O-N 2.94Å; F336-T362 HydrophobicContact CD2-CG2 3.68Å; F336-T362 HydrophobicContact CE2-CG2 3.6Å; F336-N363 HydrophobicContact CD1-CB 4.3Å; F336-N363 HydrophobicContact CE1-CB 3.97Å; F336-N363 HydrophobicContact CE2-CB 4.32Å; F336-N363 HydrophobicContact CZ-CB 3.98Å; F336-Q366 HydrophobicContact CB-CB 4.27Å; F336-Q366 HydrophobicContact CB-CG 4Å |
| 337 | P | 94.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | P | Polyproline II helix | trans | -53.6 | 136.5 | -178.8 | -28.2 | 34.9 | 0 | 0 | 0 | 112.1 | A103 D124 A325 N339 S340 | A103-P337 WeakPolarHBondContact O-CB 3.25Å; D124-P337 VanDerWaalsContact OD2-CA 3.28Å; D124-P337 WeakPolarHBondContact OD2-CA 3.46Å; A325-P337 HydrophobicContact CB-CG 4.45Å; P337-N339 VanDerWaalsContact C-N 3.27Å; P337-N339 PolarHBondContact O-N 3.31Å; P337-N339 VanDerWaalsContact O-N 3.11Å; P337-S340 WeakPolarHBondContact O-CB 3.31Å; P337-S340 PolarHBondContact O-N 2.89Å |
| 338 | L | 93.9 | Very high | 96.9 | Very high | 33 Ų | 33 | 11.7 Ų | 11.7 | 17% | 0.173 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -40.7 | -164.9 | -73 | 176 | 0 | 0 | 0 | 114.3 | M32 P34 D124 F336 Q366 Q370 | M32-L338 HydrophobicContact CB-CD2 4.09Å; M32-L338 HydrophobicContact CE-CB 4.07Å; P34-L338 HydrophobicContact CB-CD2 4.14Å; P34-L338 HydrophobicContact CG-CD2 3.81Å; P34-L338 HydrophobicContact CG-CG 4.49Å; D124-L338 HydrophobicContact CB-CB 4.01Å; D124-L338 HydrophobicContact CB-CD1 3.95Å; D124-L338 HydrophobicContact CB-CG 3.99Å; D124-L338 WeakPolarHBondContact OD2-CG 3.3Å; D124-L338 PolarHBondContact OD2-N 2.75Å; F336-L338 PolarHBondContact O-N 2.94Å; L338-Q366 PolarHBondContact O-NE2 3.2Å; L338-Q370 WeakPolarHBondContact O-CG 3.35Å; L338-Q370 PolarHBondContact O-NE2 2.88Å |
| 339 | N | 94.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 11.7 Ų | 11.7 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 7.9 | -177.5 | -72.2 | -73.5 | 0 | 0 | 0 | 113.3 | L28 V29 F105 P337 V341 | L28-N339 HydrophobicContact CD2-CB 3.82Å; V29-N339 PolarHBondContact N-OD1 3.47Å; V29-N339 PolarHBondContact O-ND2 3.09Å; V29-N339 PolarHBondContact O-OD1 3.47Å; V29-N339 VanDerWaalsContact O-OD1 3.04Å; F105-N339 WeakPolarHBondContact CB-O 3.41Å; F105-N339 HydrophobicContact CD1-CB 4.16Å; F105-N339 HydrophobicContact CG-CB 4.48Å; P337-N339 VanDerWaalsContact C-N 3.27Å; P337-N339 PolarHBondContact O-N 3.31Å; P337-N339 VanDerWaalsContact O-N 3.11Å; N339-V341 PolarHBondContact O-N 3.37Å |
| 340 | S | 95.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.007 | 10% | 0.097 | C | C | . | . | trans | -59.8 | 127.2 | 179.8 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | G104 P337 G342 I367 Q370 | G104-S340 CarbonylContact O-C 3.57Å; G104-S340 WeakPolarHBondContact O-CA 3.32Å; P337-S340 WeakPolarHBondContact O-CB 3.31Å; P337-S340 PolarHBondContact O-N 2.89Å; S340-G342 PolarHBondContact OG-N 3.2Å; S340-I367 WeakPolarHBondContact O-CG1 3.5Å; S340-Q370 PolarHBondContact O-NE2 2.86Å | ||
| 341 | V | 96.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 17.7 Ų | 17.7 | 22% | 0.224 | 11% | 0.108 | C | C | . | . | trans | -101.2 | 4.3 | 169.6 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | G104 Y106 A322 N339 L429 | G104-V341 WeakPolarHBondContact O-CG2 3.35Å; G104-V341 PolarHBondContact O-N 3.42Å; Y106-V341 HydrophobicContact CD2-CG2 4.03Å; Y106-V341 HydrophobicContact CE2-CG2 4.13Å; A322-V341 HydrophobicContact CB-CG2 4.29Å; N339-V341 PolarHBondContact O-N 3.37Å; V341-L429 HydrophobicContact CB-CD2 3.77Å; V341-L429 HydrophobicContact CG1-CD2 3.8Å | ||
| 342 | G | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -70.9 | 143.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G104 A322 D323 S340 N363 | G104-G342 PolarHBondContact O-N 2.9Å; A322-G342 WeakPolarHBondContact O-CA 3.01Å; D323-G342 WeakPolarHBondContact OD1-CA 3.33Å; S340-G342 PolarHBondContact OG-N 3.2Å; G342-N363 PolarHBondContact O-ND2 3.4Å; G342-N363 PolarHBondContact O-OD1 3.09Å | ||
| 343 | I | 98.2 | Very high | 96.5 | Very high | 52 Ų | 52 | 23.1 Ų | 23.1 | 27% | 0.267 | 15% | 0.148 | S | C | . | . | trans | -99 | 124.5 | 175.7 | -51.7 | -176.1 | 0 | 0 | 0 | 108 | D323 P345 M360 E422 I425 | D323-I343 WeakPolarHBondContact CB-O 3.34Å; D323-I343 PolarHBondContact OD1-N 3.46Å; I343-P345 WeakPolarHBondContact O-CD 3.32Å; I343-P345 VanDerWaalsContact O-N 3.09Å; I343-M360 HydrophobicContact CG2-CE 4.03Å; I343-M360 HydrophobicContact CG2-SD 4.41Å; I343-E422 HydrophobicContact CG2-CG 4.49Å; I343-I425 HydrophobicContact CD1-CG2 4.07Å; I343-I425 HydrophobicContact CG1-CG2 3.92Å; I343-I425 HydrophobicContact CG2-CD1 4.33Å | ||
| 344 | L | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | trans | -56.4 | 115.2 | -179.6 | 176.2 | 65.6 | 0 | 0 | 0 | 110.8 | P326 S330 V346 L349 S359 M360 N363 | P326-L344 HydrophobicContact CB-CB 4.37Å; P326-L344 HydrophobicContact CB-CD1 4.49Å; P326-L344 WeakPolarHBondContact O-CD1 3.5Å; S330-L344 WeakPolarHBondContact OG-CD1 3.36Å; L344-V346 VanDerWaalsContact C-N 3.26Å; L344-V346 HydrophobicContact CD2-CG1 3.93Å; L344-V346 HydrophobicContact CG-CG1 4.01Å; L344-V346 PolarHBondContact O-N 3.4Å; L344-L349 HydrophobicContact CD1-CD1 4.26Å; L344-L349 HydrophobicContact CD2-CD1 4.17Å; L344-L349 HydrophobicContact CG-CD1 4.39Å; L344-S359 VanDerWaalsContact CD2-CB 3.44Å; L344-M360 HydrophobicContact CB-CE 4.33Å; L344-M360 HydrophobicContact CB-SD 4.31Å; L344-M360 VanDerWaalsContact O-CE 3.23Å; L344-M360 WeakPolarHBondContact O-CE 3.09Å; L344-N363 HydrophobicContact CB-CB 4.37Å; L344-N363 PolarHBondContact N-OD1 3.34Å | ||
| 345 | P | 97.8 | Very high | 96.7 | Very high | 20 Ų | 20 | 25.7 Ų | 25.7 | 13% | 0.13 | 16% | 0.157 | C | C | . | . | trans | -80.8 | 75.5 | -177.7 | 34.3 | -36.6 | 0 | 0 | 0 | 110.2 | V319 D323 L327 I343 G347 Y348 | V319-P345 HydrophobicContact CG1-CB 3.94Å; V319-P345 HydrophobicContact CG1-CG 4.22Å; D323-P345 HydrophobicContact CB-CG 4.49Å; D323-P345 WeakPolarHBondContact O-CD 3.39Å; L327-P345 HydrophobicContact CB-CG 3.95Å; L327-P345 HydrophobicContact CD1-CG 4.35Å; L327-P345 HydrophobicContact CD2-CG 4.21Å; L327-P345 HydrophobicContact CG-CG 4.4Å; I343-P345 WeakPolarHBondContact O-CD 3.32Å; I343-P345 VanDerWaalsContact O-N 3.09Å; P345-G347 PolarHBondContact O-N 3.25Å; P345-Y348 HydrophobicContact CB-CD2 3.99Å; P345-Y348 HydrophobicContact CG-CD2 4.28Å; P345-Y348 WeakPolarHBondContact O-CB 3.05Å; P345-Y348 PolarHBondContact O-N 2.95Å | ||
| 346 | V | 97 | Very high | 96.8 | Very high | 25 Ų | 25 | 26.7 Ų | 26.7 | 15% | 0.152 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -54.9 | -20.8 | -176.1 | -66.6 | 0 | 0 | 0 | 0 | 113.9 | L344 Y348 L349 K356 M360 V418 | L344-V346 VanDerWaalsContact C-N 3.26Å; L344-V346 HydrophobicContact CD2-CG1 3.93Å; L344-V346 HydrophobicContact CG-CG1 4.01Å; L344-V346 PolarHBondContact O-N 3.4Å; V346-Y348 PolarHBondContact O-N 3.32Å; V346-L349 PolarHBondContact O-N 2.95Å; V346-L349 VanDerWaalsContact O-N 3.16Å; V346-K356 HydrophobicContact CG1-CB 4.32Å; V346-M360 HydrophobicContact CG1-CB 4.39Å; V346-M360 HydrophobicContact CG1-CE 3.95Å; V346-V418 HydrophobicContact CG2-CG1 3.97Å |
| 347 | G | 95.4 | Very high | 96.9 | Very high | 28 Ų | 28 | 26.7 Ų | 26.7 | 29% | 0.289 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -52.9 | -36.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K291 R317 P345 | K291-G347 WeakPolarHBondContact CD-O 3.33Å; K291-G347 PolarHBondContact NZ-O 3.46Å; R317-G347 PolarHBondContact NH1-O 2.89Å; P345-G347 PolarHBondContact O-N 3.25Å |
| 348 | Y | 97.8 | Very high | 97 | Very high | 3 Ų | 3 | 27.8 Ų | 27.8 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -77.1 | -21.9 | 179.8 | -81.3 | -91.3 | 0 | 0 | 0 | 114.6 | S82 W83 F283 T285 K291 R317 V319 P345 V346 | S82-Y348 VanDerWaalsContact CB-CE1 3.42Å; W83-Y348 VanDerWaalsContact C-OH 3.32Å; W83-Y348 PolarHBondContact O-OH 2.8Å; F283-Y348 HydrophobicContact CD1-CE1 4Å; F283-Y348 HydrophobicContact CD1-CE2 4.49Å; F283-Y348 AromaticContact CD1-CZ 3.71Å; F283-Y348 VanDerWaalsContact CD1-OH 3.31Å; F283-Y348 WeakPolarHBondContact CD1-OH 3.24Å; F283-Y348 HydrophobicContact CE1-CD1 4.13Å; F283-Y348 AromaticContact CE1-CE1 3.54Å; F283-Y348 HydrophobicContact CE1-CE1 3.54Å; F283-Y348 HydrophobicContact CE1-CE2 4.08Å; F283-Y348 AromaticContact CE1-CZ 3.5Å; F283-Y348 VanDerWaalsContact CE1-CZ 3.5Å; T285-Y348 HydrophobicContact CG2-CD1 3.37Å; T285-Y348 HydrophobicContact CG2-CE1 3.62Å; T285-Y348 HydrophobicContact CG2-CG 4.45Å; K291-Y348 PolarHBondContact N-O 2.83Å; R317-Y348 HydrophobicContact CB-CE2 3.61Å; R317-Y348 PolarHBondContact O-OH 2.67Å; V319-Y348 HydrophobicContact CG1-CD2 4.38Å; V319-Y348 HydrophobicContact CG1-CE2 3.7Å; P345-Y348 HydrophobicContact CB-CD2 3.99Å; P345-Y348 HydrophobicContact CG-CD2 4.28Å; P345-Y348 WeakPolarHBondContact O-CB 3.05Å; P345-Y348 PolarHBondContact O-N 2.95Å; V346-Y348 PolarHBondContact O-N 3.32Å |
| 349 | L | 97.8 | 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 | -79.9 | 128 | -173.7 | -64.1 | 175.9 | 0 | 0 | 0 | 112.1 | G289 L327 L331 L344 V346 F355 K356 | G289-L349 WeakPolarHBondContact O-CA 3.45Å; L327-L349 HydrophobicContact CD1-CD2 3.78Å; L327-L349 HydrophobicContact CD1-CG 4.32Å; 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 4.17Å; L344-L349 HydrophobicContact CG-CD1 4.39Å; V346-L349 PolarHBondContact O-N 2.95Å; V346-L349 VanDerWaalsContact O-N 3.16Å; L349-F355 HydrophobicContact CD1-CD1 4.49Å; L349-F355 HydrophobicContact CD1-CE1 4.17Å; L349-K356 HydrophobicContact CB-CG 4.38Å; L349-K356 HydrophobicContact CD1-CG 4.44Å; L349-K356 WeakPolarHBondContact O-CE 3.3Å; L349-K356 PolarHBondContact O-NZ 3.19Å |
| 350 | N | 96.8 | Very high | 97.4 | Very high | 81 Ų | 81 | 26 Ų | 26 | 43% | 0.433 | 16% | 0.155 | S | C | . | . | trans | -99.5 | 73 | 168 | -167.7 | 19.2 | 0 | 0 | 0 | 110.2 | G289 I290 K291 | G289-N350 PolarHBondContact O-N 3.27Å; I290-N350 VanDerWaalsContact C-CB 3.4Å; I290-N350 WeakPolarHBondContact O-CB 3.13Å; K291-N350 HydrophobicContact CB-CB 4.48Å; K291-N350 HydrophobicContact CG-CB 4.03Å | ||
| 351 | N | 96.1 | Very high | 97.5 | Very high | 49 Ų | 49 | 26.7 Ų | 26.7 | 26% | 0.262 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -145 | 172.8 | 179.6 | -150.2 | -31.3 | 0 | 0 | 0 | 110 | F355 K356 | N351-F355 HydrophobicContact CB-CB 4.09Å; N351-F355 HydrophobicContact CB-CD1 3.64Å; N351-F355 HydrophobicContact CB-CE1 4.35Å; N351-F355 HydrophobicContact CB-CG 4Å; N351-F355 VanDerWaalsContact CG-CG 3.48Å; N351-F355 WeakPolarHBondContact ND2-CD1 3.49Å; N351-F355 WeakPolarHBondContact ND2-CD2 3.16Å; N351-F355 VanDerWaalsContact ND2-CG 3.26Å; N351-F355 WeakPolarHBondContact ND2-CG 3.45Å; N351-K356 VanDerWaalsContact O-CE 3.32Å; N351-K356 WeakPolarHBondContact O-CE 3.36Å |
| 352 | T | 97 | Very high | 97.6 | Very high | 84 Ų | 84 | 25.2 Ų | 25.2 | 52% | 0.515 | 15% | 0.149 | S | C | . | . | trans | -56.8 | 154.3 | 179.1 | 64.2 | 0 | 0 | 0 | 0 | 112.2 | L354 F355 K356 | T352-L354 PolarHBondContact O-N 3.48Å; T352-F355 PolarHBondContact O-N 2.8Å; T352-F355 WeakPolarHBondContact OG1-CB 3.23Å; T352-F355 PolarHBondContact OG1-N 3.17Å; T352-F355 VanDerWaalsContact OG1-N 3.12Å; T352-K356 PolarHBondContact O-N 3.06Å; T352-K356 VanDerWaalsContact O-N 3.15Å | ||
| 353 | G | 97.2 | Very high | 97.7 | Very high | 30 Ų | 30 | 25.2 Ų | 25.2 | 31% | 0.309 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -57.1 | -39.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | F355 K356 A357 F414 | G353-F355 PolarHBondContact O-N 3.47Å; G353-K356 PolarHBondContact O-N 3.28Å; G353-A357 WeakPolarHBondContact O-CB 3.43Å; G353-A357 PolarHBondContact O-N 3.23Å; G353-F414 VanDerWaalsContact C-CG 3.45Å |
| 354 | L | 97.9 | Very high | 97.7 | Very high | 65 Ų | 65 | 22.7 Ų | 22.7 | 34% | 0.34 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -58.4 | -47.9 | 175 | 178.7 | 62.4 | 0 | 0 | 0 | 112.4 | L39 T352 K356 A357 E358 I409 F414 | L39-L354 HydrophobicContact CD1-CG 4.2Å; T352-L354 PolarHBondContact O-N 3.48Å; L354-K356 VanDerWaalsContact C-N 3.34Å; L354-K356 PolarHBondContact O-N 2.79Å; L354-A357 PolarHBondContact O-N 2.87Å; L354-E358 HydrophobicContact CD1-CG 4.03Å; L354-E358 WeakPolarHBondContact O-CB 3.29Å; L354-E358 PolarHBondContact O-N 3.27Å; L354-I409 HydrophobicContact CD1-CG2 3.85Å; L354-F414 HydrophobicContact CB-CE1 3.81Å; L354-F414 HydrophobicContact CB-CE2 4.43Å; L354-F414 HydrophobicContact CB-CZ 3.76Å; L354-F414 HydrophobicContact CD1-CE1 3.71Å; L354-F414 HydrophobicContact CD1-CZ 4.24Å; L354-F414 HydrophobicContact CG-CE1 4.38Å |
| 355 | F | 98.1 | Very high | 97.6 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 3% | 0.031 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59 | -46.8 | 177.8 | -178.4 | -89.2 | 0 | 0 | 0 | 111.6 | L39 P40 P42 S330 L349 N351 T352 G353 A357 E358 S359 | L39-F355 HydrophobicContact CB-CD2 4Å; L39-F355 HydrophobicContact CB-CE2 4.41Å; L39-F355 HydrophobicContact CD1-CB 4.26Å; L39-F355 HydrophobicContact CD1-CD2 4.18Å; P40-F355 WeakPolarHBondContact O-CE2 3.26Å; P42-F355 HydrophobicContact CG-CZ 4.44Å; S330-F355 WeakPolarHBondContact O-CZ 3.11Å; L349-F355 HydrophobicContact CD1-CD1 4.49Å; L349-F355 HydrophobicContact CD1-CE1 4.17Å; N351-F355 HydrophobicContact CB-CB 4.09Å; N351-F355 HydrophobicContact CB-CD1 3.64Å; N351-F355 HydrophobicContact CB-CE1 4.35Å; N351-F355 HydrophobicContact CB-CG 4Å; N351-F355 VanDerWaalsContact CG-CG 3.48Å; N351-F355 WeakPolarHBondContact ND2-CD1 3.49Å; N351-F355 WeakPolarHBondContact ND2-CD2 3.16Å; N351-F355 VanDerWaalsContact ND2-CG 3.26Å; N351-F355 WeakPolarHBondContact ND2-CG 3.45Å; T352-F355 PolarHBondContact O-N 2.8Å; T352-F355 WeakPolarHBondContact OG1-CB 3.23Å; T352-F355 PolarHBondContact OG1-N 3.17Å; T352-F355 VanDerWaalsContact OG1-N 3.12Å; G353-F355 PolarHBondContact O-N 3.47Å; F355-A357 PolarHBondContact O-N 3.31Å; F355-E358 PolarHBondContact O-N 3.01Å; F355-S359 WeakPolarHBondContact O-CB 3.28Å; F355-S359 PolarHBondContact O-N 3.11Å; F355-S359 PolarHBondContact O-OG 3.23Å |
| 356 | K | 98.3 | Very high | 97.6 | Very high | 40 Ų | 40 | 22.6 Ų | 22.6 | 17% | 0.174 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 178.5 | -68.2 | 173.7 | -179.1 | 177.6 | 0 | 112 | V346 L349 N351 T352 G353 L354 M360 | V346-K356 HydrophobicContact CG1-CB 4.32Å; L349-K356 HydrophobicContact CB-CG 4.38Å; L349-K356 HydrophobicContact CD1-CG 4.44Å; L349-K356 WeakPolarHBondContact O-CE 3.3Å; L349-K356 PolarHBondContact O-NZ 3.19Å; N351-K356 VanDerWaalsContact O-CE 3.32Å; N351-K356 WeakPolarHBondContact O-CE 3.36Å; T352-K356 PolarHBondContact O-N 3.06Å; T352-K356 VanDerWaalsContact O-N 3.15Å; G353-K356 PolarHBondContact O-N 3.28Å; L354-K356 VanDerWaalsContact C-N 3.34Å; L354-K356 PolarHBondContact O-N 2.79Å; K356-M360 VanDerWaalsContact O-CB 3.24Å; K356-M360 WeakPolarHBondContact O-CB 3.28Å; K356-M360 PolarHBondContact O-N 3.14Å |
| 357 | A | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G353 L354 F355 F361 I409 F414 V417 | G353-A357 WeakPolarHBondContact O-CB 3.43Å; G353-A357 PolarHBondContact O-N 3.23Å; L354-A357 PolarHBondContact O-N 2.87Å; F355-A357 PolarHBondContact O-N 3.31Å; A357-F361 VanDerWaalsContact O-CB 3.27Å; A357-F361 WeakPolarHBondContact O-CB 3.32Å; A357-F361 PolarHBondContact O-N 2.92Å; A357-I409 HydrophobicContact CB-CG1 4.46Å; A357-F414 HydrophobicContact CB-CB 4.09Å; A357-F414 HydrophobicContact CB-CD1 3.72Å; A357-F414 HydrophobicContact CB-CG 4.31Å; A357-V417 HydrophobicContact CB-CB 4.04Å; A357-V417 HydrophobicContact CB-CG1 3.91Å |
| 358 | E | 98.2 | Very high | 97.7 | Very high | 24 Ų | 24 | 20 Ų | 20 | 11% | 0.112 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67.7 | -39.6 | 177.8 | -78.1 | -69.8 | 173.1 | 0 | 0 | 112.5 | T37 L39 L354 F355 F361 T362 R406 I409 | T37-E358 HydrophobicContact CG2-CB 4.09Å; L39-E358 HydrophobicContact CD1-CB 3.78Å; L39-E358 HydrophobicContact CD1-CG 3.94Å; L354-E358 HydrophobicContact CD1-CG 4.03Å; L354-E358 WeakPolarHBondContact O-CB 3.29Å; L354-E358 PolarHBondContact O-N 3.27Å; F355-E358 PolarHBondContact O-N 3.01Å; E358-F361 PolarHBondContact O-N 3.08Å; E358-T362 WeakPolarHBondContact O-CB 3.41Å; E358-T362 PolarHBondContact O-N 2.79Å; E358-T362 PolarHBondContact O-OG1 3.45Å; E358-R406 VanDerWaalsContact CD-NH1 3.28Å; E358-R406 IonicContact OE1-NH1 3.4Å; E358-R406 PolarHBondContact OE1-NH1 3.4Å; E358-R406 VanDerWaalsContact OE1-NH1 3.11Å; E358-R406 IonicContact OE2-CZ 3.27Å; E358-R406 IonicContact OE2-NH1 2.72Å; E358-R406 PolarHBondContact OE2-NH1 3.34Å; E358-R406 IonicContact OE2-NH2 2.82Å; E358-I409 HydrophobicContact CG-CD1 4.49Å |
| 359 | S | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -67.7 | -41.7 | 175.5 | -66.4 | 0 | 0 | 0 | 0 | 112.3 | T37 L344 F355 T362 N363 | T37-S359 WeakPolarHBondContact CG2-OG 3.44Å; T37-S359 PolarHBondContact OG1-OG 3.03Å; L344-S359 VanDerWaalsContact CD2-CB 3.44Å; F355-S359 WeakPolarHBondContact O-CB 3.28Å; F355-S359 PolarHBondContact O-N 3.11Å; F355-S359 PolarHBondContact O-OG 3.23Å; S359-T362 PolarHBondContact O-N 3.18Å; S359-N363 WeakPolarHBondContact O-CB 3.38Å; S359-N363 PolarHBondContact O-N 3.23Å |
| 360 | M | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.5 | -40 | 174.9 | -177.1 | 59.1 | 92.4 | 0 | 0 | 111.4 | I343 L344 V346 K356 T362 N363 A364 V418 C421 E422 I425 | I343-M360 HydrophobicContact CG2-CE 4.03Å; I343-M360 HydrophobicContact CG2-SD 4.41Å; L344-M360 HydrophobicContact CB-CE 4.33Å; L344-M360 HydrophobicContact CB-SD 4.31Å; L344-M360 VanDerWaalsContact O-CE 3.23Å; L344-M360 WeakPolarHBondContact O-CE 3.09Å; V346-M360 HydrophobicContact CG1-CB 4.39Å; V346-M360 HydrophobicContact CG1-CE 3.95Å; K356-M360 VanDerWaalsContact O-CB 3.24Å; K356-M360 WeakPolarHBondContact O-CB 3.28Å; K356-M360 PolarHBondContact O-N 3.14Å; M360-T362 VanDerWaalsContact C-N 3.35Å; M360-T362 PolarHBondContact O-N 3.48Å; M360-N363 PolarHBondContact O-N 2.84Å; M360-A364 WeakPolarHBondContact O-CB 3.22Å; M360-A364 PolarHBondContact O-N 2.6Å; M360-V418 HydrophobicContact CB-CG2 4.35Å; M360-V418 HydrophobicContact CE-CG1 4.09Å; M360-V418 HydrophobicContact CG-CG1 4.39Å; M360-C421 HydrophobicContact CG-CB 3.57Å; M360-C421 HydrophobicContact SD-CB 4.49Å; M360-E422 HydrophobicContact CE-CG 3.85Å; M360-E422 HydrophobicContact SD-CG 4.46Å; M360-I425 HydrophobicContact SD-CD1 3.98Å |
| 361 | F | 98.4 | Very high | 97.5 | Very high | 14 Ų | 14 | 18 Ų | 18 | 6% | 0.061 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60 | -44.7 | 172.9 | -179 | -85.6 | 0 | 0 | 0 | 111.7 | A357 E358 A364 V365 L402 A405 R406 I409 | A357-F361 VanDerWaalsContact O-CB 3.27Å; A357-F361 WeakPolarHBondContact O-CB 3.32Å; A357-F361 PolarHBondContact O-N 2.92Å; E358-F361 PolarHBondContact O-N 3.08Å; F361-A364 PolarHBondContact O-N 3.24Å; F361-V365 HydrophobicContact CD1-CG2 3.96Å; F361-V365 HydrophobicContact CE1-CG2 3.43Å; F361-V365 VanDerWaalsContact CE1-CG2 3.43Å; F361-V365 HydrophobicContact CE2-CG2 4.48Å; F361-V365 HydrophobicContact CZ-CG2 3.76Å; F361-V365 WeakPolarHBondContact O-CG2 3.35Å; F361-V365 PolarHBondContact O-N 3.48Å; F361-L402 HydrophobicContact CE2-CD2 3.8Å; F361-L402 HydrophobicContact CZ-CD2 3.79Å; F361-A405 HydrophobicContact CD2-CB 3.73Å; F361-A405 HydrophobicContact CE2-CB 3.79Å; F361-R406 VanDerWaalsContact CD1-NH2 3.3Å; F361-R406 HydrophobicContact CE2-CG 4.22Å; F361-R406 HydrophobicContact CZ-CG 4.13Å; F361-I409 HydrophobicContact CB-CD1 4.46Å |
| 362 | T | 98.1 | Very high | 97.5 | Very high | 6 Ų | 6 | 18.4 Ų | 18.4 | 4% | 0.037 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 178.2 | -55 | 0 | 0 | 0 | 0 | 111.4 | Q35 F336 E358 S359 M360 A364 V365 Q366 | Q35-T362 HydrophobicContact CB-CG2 3.74Å; F336-T362 HydrophobicContact CD2-CG2 3.68Å; F336-T362 HydrophobicContact CE2-CG2 3.6Å; E358-T362 WeakPolarHBondContact O-CB 3.41Å; E358-T362 PolarHBondContact O-N 2.79Å; E358-T362 PolarHBondContact O-OG1 3.45Å; S359-T362 PolarHBondContact O-N 3.18Å; M360-T362 VanDerWaalsContact C-N 3.35Å; M360-T362 PolarHBondContact O-N 3.48Å; T362-A364 VanDerWaalsContact C-N 3.35Å; T362-A364 PolarHBondContact O-N 2.82Å; T362-V365 PolarHBondContact O-N 3.48Å; T362-Q366 PolarHBondContact O-N 3.01Å |
| 363 | N | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.6 | -44 | 174.6 | 176.3 | -145.5 | 0 | 0 | 0 | 111.7 | F336 G342 L344 S359 M360 V365 Q366 I367 | F336-N363 HydrophobicContact CD1-CB 4.3Å; F336-N363 HydrophobicContact CE1-CB 3.97Å; F336-N363 HydrophobicContact CE2-CB 4.32Å; F336-N363 HydrophobicContact CZ-CB 3.98Å; G342-N363 PolarHBondContact O-ND2 3.4Å; G342-N363 PolarHBondContact O-OD1 3.09Å; L344-N363 HydrophobicContact CB-CB 4.37Å; L344-N363 PolarHBondContact N-OD1 3.34Å; S359-N363 WeakPolarHBondContact O-CB 3.38Å; S359-N363 PolarHBondContact O-N 3.23Å; M360-N363 PolarHBondContact O-N 2.84Å; N363-V365 PolarHBondContact O-N 3.23Å; N363-Q366 PolarHBondContact O-N 3.35Å; N363-I367 PolarHBondContact O-N 2.92Å; N363-I367 VanDerWaalsContact O-N 3.15Å |
| 364 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.5 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | M360 F361 T362 L368 C421 L424 I425 | M360-A364 WeakPolarHBondContact O-CB 3.22Å; M360-A364 PolarHBondContact O-N 2.6Å; F361-A364 PolarHBondContact O-N 3.24Å; T362-A364 VanDerWaalsContact C-N 3.35Å; T362-A364 PolarHBondContact O-N 2.82Å; A364-L368 VanDerWaalsContact O-CB 3.26Å; A364-L368 WeakPolarHBondContact O-CB 3.37Å; A364-L368 PolarHBondContact O-N 3.27Å; A364-C421 HydrophobicContact CB-CB 3.91Å; A364-L424 HydrophobicContact CB-CD2 4.16Å; A364-I425 HydrophobicContact CB-CD1 3.91Å; A364-I425 HydrophobicContact CB-CG1 3.69Å |
| 365 | V | 97.8 | Very high | 97.2 | Very high | 17 Ų | 17 | 14 Ų | 14 | 10% | 0.103 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 175.2 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | Q35 F361 T362 N363 I367 L368 E369 L402 | Q35-V365 HydrophobicContact CG-CB 4.48Å; Q35-V365 HydrophobicContact CG-CG1 3.9Å; F361-V365 HydrophobicContact CD1-CG2 3.96Å; F361-V365 HydrophobicContact CE1-CG2 3.43Å; F361-V365 VanDerWaalsContact CE1-CG2 3.43Å; F361-V365 HydrophobicContact CE2-CG2 4.48Å; F361-V365 HydrophobicContact CZ-CG2 3.76Å; F361-V365 WeakPolarHBondContact O-CG2 3.35Å; F361-V365 PolarHBondContact O-N 3.48Å; T362-V365 PolarHBondContact O-N 3.48Å; N363-V365 PolarHBondContact O-N 3.23Å; V365-I367 VanDerWaalsContact C-N 3.33Å; V365-I367 PolarHBondContact O-N 3.41Å; V365-L368 WeakPolarHBondContact O-CB 3.39Å; V365-L368 PolarHBondContact O-N 2.89Å; V365-L368 VanDerWaalsContact O-N 3.15Å; V365-E369 HydrophobicContact CG1-CG 4.39Å; V365-E369 WeakPolarHBondContact O-CG 3.36Å; V365-E369 PolarHBondContact O-N 3.24Å; V365-L402 HydrophobicContact CG2-CD2 3.89Å |
| 366 | Q | 96.9 | Very high | 97 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58 | -44.7 | 178 | -174.7 | 61.2 | 53.6 | 0 | 0 | 112 | Q35 F336 L338 T362 N363 E369 Q370 | Q35-Q366 HydrophobicContact CB-CB 4.36Å; Q35-Q366 HydrophobicContact CG-CB 4.34Å; F336-Q366 HydrophobicContact CB-CB 4.27Å; F336-Q366 HydrophobicContact CB-CG 4Å; L338-Q366 PolarHBondContact O-NE2 3.2Å; T362-Q366 PolarHBondContact O-N 3.01Å; N363-Q366 PolarHBondContact O-N 3.35Å; Q366-E369 PolarHBondContact O-N 3.31Å; Q366-Q370 PolarHBondContact O-N 3.04Å |
| 367 | I | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68.6 | -38.3 | 176.7 | -66.7 | 174.5 | 0 | 0 | 0 | 111.1 | S340 N363 V365 E369 Q370 F371 I425 A428 L429 | S340-I367 WeakPolarHBondContact O-CG1 3.5Å; N363-I367 PolarHBondContact O-N 2.92Å; N363-I367 VanDerWaalsContact O-N 3.15Å; V365-I367 VanDerWaalsContact C-N 3.33Å; V365-I367 PolarHBondContact O-N 3.41Å; I367-E369 VanDerWaalsContact C-N 3.29Å; I367-E369 PolarHBondContact O-N 3.5Å; I367-Q370 WeakPolarHBondContact O-CB 3.49Å; I367-Q370 PolarHBondContact O-N 3.39Å; I367-F371 PolarHBondContact O-N 2.7Å; I367-I425 HydrophobicContact CD1-CB 4.48Å; I367-I425 HydrophobicContact CD1-CD1 4.35Å; I367-I425 HydrophobicContact CD1-CG1 4.08Å; I367-I425 HydrophobicContact CD1-CG2 3.62Å; I367-I425 HydrophobicContact CG2-CG2 4.45Å; I367-A428 HydrophobicContact CG2-CB 3.93Å; I367-L429 HydrophobicContact CG2-CD2 3.7Å; I367-L429 HydrophobicContact CG2-CG 3.95Å |
| 368 | L | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.2 | -34.9 | 176.3 | 179.6 | 64.4 | 0 | 0 | 0 | 112.2 | A364 V365 F371 K372 L393 Q398 L402 L424 A428 | A364-L368 VanDerWaalsContact O-CB 3.26Å; A364-L368 WeakPolarHBondContact O-CB 3.37Å; A364-L368 PolarHBondContact O-N 3.27Å; V365-L368 WeakPolarHBondContact O-CB 3.39Å; V365-L368 PolarHBondContact O-N 2.89Å; V365-L368 VanDerWaalsContact O-N 3.15Å; L368-F371 HydrophobicContact CD1-CD1 3.84Å; L368-F371 WeakPolarHBondContact O-CB 3.4Å; L368-F371 PolarHBondContact O-N 3.45Å; L368-K372 HydrophobicContact CG-CD 4.4Å; L368-K372 HydrophobicContact CG-CG 4.48Å; L368-K372 WeakPolarHBondContact O-CG 3.35Å; L368-K372 PolarHBondContact O-N 3.12Å; L368-L393 HydrophobicContact CD1-CD2 3.97Å; L368-Q398 HydrophobicContact CD1-CG 4.04Å; L368-L402 HydrophobicContact CD2-CD1 3.88Å; L368-L402 HydrophobicContact CD2-CD2 4.31Å; L368-L402 HydrophobicContact CD2-CG 4.32Å; L368-L424 HydrophobicContact CD1-CD1 4.37Å; L368-L424 HydrophobicContact CD2-CD2 4.36Å; L368-A428 HydrophobicContact CD1-CB 4.49Å |
| 369 | E | 95.8 | Very high | 96.2 | Very high | 41 Ų | 41 | 24.2 Ų | 24.2 | 19% | 0.192 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.9 | -37.6 | 175.4 | -69.6 | -54.2 | 124.5 | 0 | 0 | 112 | M32 V365 Q366 I367 F371 K372 V373 | M32-E369 HydrophobicContact CG-CB 4.32Å; V365-E369 HydrophobicContact CG1-CG 4.39Å; V365-E369 WeakPolarHBondContact O-CG 3.36Å; V365-E369 PolarHBondContact O-N 3.24Å; Q366-E369 PolarHBondContact O-N 3.31Å; I367-E369 VanDerWaalsContact C-N 3.29Å; I367-E369 PolarHBondContact O-N 3.5Å; E369-F371 VanDerWaalsContact C-N 3.33Å; E369-F371 PolarHBondContact O-N 2.75Å; E369-K372 PolarHBondContact O-N 3.25Å; E369-K372 WeakPolarHBondContact OE1-CD 3.5Å; E369-K372 IonicContact OE1-NZ 3.11Å; E369-K372 PolarHBondContact OE1-NZ 3.27Å; E369-V373 WeakPolarHBondContact O-CB 3.3Å; E369-V373 WeakPolarHBondContact O-CG2 3.43Å; E369-V373 PolarHBondContact O-N 2.76Å |
| 370 | Q | 95.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.5 | -49.4 | 170.9 | -68.1 | 170.8 | 50.5 | 0 | 0 | 111 | M32 L338 S340 Q366 I367 K372 V373 K374 L432 | M32-Q370 HydrophobicContact CE-CG 4.01Å; M32-Q370 WeakPolarHBondContact SD-CA 3.44Å; M32-Q370 HydrophobicContact SD-CB 3.81Å; M32-Q370 HydrophobicContact SD-CG 3.13Å; M32-Q370 WeakPolarHBondContact SD-CG 3.36Å; L338-Q370 WeakPolarHBondContact O-CG 3.35Å; L338-Q370 PolarHBondContact O-NE2 2.88Å; S340-Q370 PolarHBondContact O-NE2 2.86Å; Q366-Q370 PolarHBondContact O-N 3.04Å; I367-Q370 WeakPolarHBondContact O-CB 3.49Å; I367-Q370 PolarHBondContact O-N 3.39Å; Q370-K372 PolarHBondContact O-N 3.35Å; Q370-V373 PolarHBondContact O-N 3.34Å; Q370-K374 VanDerWaalsContact O-CB 3.31Å; Q370-K374 WeakPolarHBondContact O-CB 3.43Å; Q370-K374 PolarHBondContact O-N 3.13Å; Q370-L432 HydrophobicContact CB-CD1 4.31Å; Q370-L432 HydrophobicContact CB-CD2 4.07Å |
| 371 | F | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 178.1 | 166 | -97 | 0 | 0 | 0 | 112.3 | I367 L368 E369 K374 M375 F390 L393 A428 Y435 | I367-F371 PolarHBondContact O-N 2.7Å; L368-F371 HydrophobicContact CD1-CD1 3.84Å; L368-F371 WeakPolarHBondContact O-CB 3.4Å; L368-F371 PolarHBondContact O-N 3.45Å; E369-F371 VanDerWaalsContact C-N 3.33Å; E369-F371 PolarHBondContact O-N 2.75Å; F371-K374 PolarHBondContact O-N 3.07Å; F371-M375 HydrophobicContact CD1-CE 4.11Å; F371-M375 HydrophobicContact CE1-CE 3.2Å; F371-M375 HydrophobicContact CE2-CE 4.26Å; F371-M375 HydrophobicContact CZ-CE 3.3Å; F371-M375 VanDerWaalsContact O-CB 3.29Å; F371-M375 WeakPolarHBondContact O-CB 3.48Å; F371-M375 PolarHBondContact O-N 2.89Å; F371-F390 HydrophobicContact CE2-CB 4.27Å; F371-F390 HydrophobicContact CE2-CD1 4.07Å; F371-F390 HydrophobicContact CE2-CG 4.49Å; F371-F390 HydrophobicContact CZ-CB 4.46Å; F371-F390 HydrophobicContact CZ-CD1 4.32Å; F371-L393 HydrophobicContact CD1-CD2 4.02Å; F371-L393 HydrophobicContact CE1-CB 4.39Å; F371-L393 HydrophobicContact CE1-CD2 3.81Å; F371-L393 HydrophobicContact CE1-CG 4.07Å; F371-L393 HydrophobicContact CE2-CD2 4.46Å; F371-L393 HydrophobicContact CG-CD2 4.41Å; F371-L393 HydrophobicContact CZ-CB 4.06Å; F371-L393 HydrophobicContact CZ-CD2 4.04Å; F371-L393 HydrophobicContact CZ-CG 4.23Å; F371-A428 HydrophobicContact CB-CB 4.3Å; F371-Y435 HydrophobicContact CD2-CD2 4.18Å; F371-Y435 HydrophobicContact CD2-CE2 4.03Å; F371-Y435 HydrophobicContact CE2-CD2 4Å; F371-Y435 AromaticContact CE2-CE2 3.43Å; F371-Y435 HydrophobicContact CE2-CE2 3.43Å; F371-Y435 VanDerWaalsContact CE2-CE2 3.43Å; F371-Y435 AromaticContact CZ-CE2 3.98Å; F371-Y435 HydrophobicContact CZ-CE2 3.98Å |
| 372 | K | 95.9 | Very high | 95.2 | Very high | 57 Ų | 57 | 33.5 Ų | 33.5 | 25% | 0.248 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -45.8 | -179.2 | -74.1 | 174.4 | -177.3 | 167 | 0 | 112.5 | L368 E369 Q370 M375 T376 | L368-K372 HydrophobicContact CG-CD 4.4Å; L368-K372 HydrophobicContact CG-CG 4.48Å; L368-K372 WeakPolarHBondContact O-CG 3.35Å; L368-K372 PolarHBondContact O-N 3.12Å; E369-K372 PolarHBondContact O-N 3.25Å; E369-K372 WeakPolarHBondContact OE1-CD 3.5Å; E369-K372 IonicContact OE1-NZ 3.11Å; E369-K372 PolarHBondContact OE1-NZ 3.27Å; Q370-K372 PolarHBondContact O-N 3.35Å; K372-M375 PolarHBondContact O-N 3.46Å; K372-T376 WeakPolarHBondContact O-CB 3.42Å; K372-T376 PolarHBondContact O-N 3.23Å; K372-T376 PolarHBondContact O-OG1 3.13Å |
| 373 | V | 95.5 | Very high | 94.8 | Very high | 26 Ų | 26 | 35.2 Ų | 35.2 | 16% | 0.158 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.9 | -46.2 | 179.3 | 172.1 | 0 | 0 | 0 | 0 | 109.8 | V29 H30 M32 E369 Q370 M375 T376 Q377 | V29-V373 HydrophobicContact CG1-CB 3.87Å; V29-V373 HydrophobicContact CG1-CG1 3.52Å; H30-V373 WeakPolarHBondContact O-CG1 3.31Å; M32-V373 HydrophobicContact CG-CB 4.24Å; M32-V373 HydrophobicContact CG-CG2 3.76Å; E369-V373 WeakPolarHBondContact O-CB 3.3Å; E369-V373 WeakPolarHBondContact O-CG2 3.43Å; E369-V373 PolarHBondContact O-N 2.76Å; Q370-V373 PolarHBondContact O-N 3.34Å; V373-M375 PolarHBondContact O-N 3.29Å; V373-T376 PolarHBondContact O-N 3.45Å; V373-Q377 HydrophobicContact CG1-CG 4.4Å; V373-Q377 VanDerWaalsContact O-CG 3.32Å; V373-Q377 WeakPolarHBondContact O-CG 3.3Å; V373-Q377 PolarHBondContact O-N 2.89Å |
| 374 | K | 94.6 | Very high | 94.5 | Very high | 43 Ų | 43 | 40.7 Ų | 40.7 | 19% | 0.187 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | 178.8 | -169.5 | 64.9 | 171.2 | -172.8 | 0 | 112.6 | V29 Q370 F371 T376 K378 L432 | V29-K374 HydrophobicContact CG1-CB 4.48Å; V29-K374 HydrophobicContact CG2-CB 4.23Å; V29-K374 HydrophobicContact CG2-CD 4.23Å; Q370-K374 VanDerWaalsContact O-CB 3.31Å; Q370-K374 WeakPolarHBondContact O-CB 3.43Å; Q370-K374 PolarHBondContact O-N 3.13Å; F371-K374 PolarHBondContact O-N 3.07Å; K374-T376 VanDerWaalsContact C-N 3.33Å; K374-T376 PolarHBondContact O-N 3.25Å; K374-K378 WeakPolarHBondContact O-CB 3.15Å; K374-K378 PolarHBondContact O-N 3.43Å; K374-L432 HydrophobicContact CB-CD1 3.78Å; K374-L432 HydrophobicContact CG-CD1 4.02Å |
| 375 | M | 95.2 | Very high | 94.1 | Very high | 18 Ų | 18 | 48.3 Ų | 48.3 | 9% | 0.089 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.4 | -50 | 172.1 | 178.4 | -162.4 | -51.1 | 0 | 0 | 110.6 | F371 K372 V373 K378 K379 F387 Y435 | F371-M375 HydrophobicContact CD1-CE 4.11Å; F371-M375 HydrophobicContact CE1-CE 3.2Å; F371-M375 HydrophobicContact CE2-CE 4.26Å; F371-M375 HydrophobicContact CZ-CE 3.3Å; F371-M375 VanDerWaalsContact O-CB 3.29Å; F371-M375 WeakPolarHBondContact O-CB 3.48Å; F371-M375 PolarHBondContact O-N 2.89Å; K372-M375 PolarHBondContact O-N 3.46Å; V373-M375 PolarHBondContact O-N 3.29Å; M375-K378 PolarHBondContact O-N 3.07Å; M375-K379 VanDerWaalsContact O-CB 3.29Å; M375-K379 WeakPolarHBondContact O-CB 3.23Å; M375-K379 PolarHBondContact O-N 3.05Å; M375-F387 HydrophobicContact CG-CZ 4.16Å; M375-Y435 HydrophobicContact CB-CD2 3.99Å; M375-Y435 HydrophobicContact CB-CE2 3.5Å; M375-Y435 HydrophobicContact CE-CE2 4.29Å; M375-Y435 HydrophobicContact CG-CE1 4.28Å; M375-Y435 HydrophobicContact CG-CE2 3.78Å; M375-Y435 WeakPolarHBondContact CG-OH 3.31Å |
| 376 | T | 94.3 | Very high | 93.8 | Very high | 61 Ų | 61 | 50.9 Ų | 50.9 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.6 | -48.3 | -175.6 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | K372 V373 K374 K378 K379 E380 | K372-T376 WeakPolarHBondContact O-CB 3.42Å; K372-T376 PolarHBondContact O-N 3.23Å; K372-T376 PolarHBondContact O-OG1 3.13Å; V373-T376 PolarHBondContact O-N 3.45Å; K374-T376 VanDerWaalsContact C-N 3.33Å; K374-T376 PolarHBondContact O-N 3.25Å; T376-K378 VanDerWaalsContact C-N 3.25Å; T376-K378 PolarHBondContact O-N 2.88Å; T376-K379 PolarHBondContact O-N 3.4Å; T376-K379 VanDerWaalsContact O-N 3.15Å; T376-E380 HydrophobicContact CG2-CG 4.34Å; T376-E380 WeakPolarHBondContact CG2-OE1 3.43Å; T376-E380 WeakPolarHBondContact O-CB 3.31Å; T376-E380 WeakPolarHBondContact O-CG 3.39Å; T376-E380 PolarHBondContact O-N 3.4Å |
| 377 | Q | 92.1 | Very high | 93.7 | Very high | 80 Ų | 80 | 52.2 Ų | 52.2 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -52.8 | -45.3 | 173.7 | -72.9 | 173.1 | -4.6 | 0 | 0 | 111.4 | H30 V373 A381 | H30-Q377 PolarHBondContact O-NE2 2.98Å; V373-Q377 HydrophobicContact CG1-CG 4.4Å; V373-Q377 VanDerWaalsContact O-CG 3.32Å; V373-Q377 WeakPolarHBondContact O-CG 3.3Å; V373-Q377 PolarHBondContact O-N 2.89Å; Q377-A381 WeakPolarHBondContact O-CB 3.4Å; Q377-A381 PolarHBondContact O-N 3.14Å; Q377-A381 VanDerWaalsContact O-N 3.13Å |
| 378 | K | 92.7 | Very high | 93.6 | Very high | 29 Ų | 29 | 55.5 Ų | 55.5 | 13% | 0.126 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.1 | -37.4 | -178.6 | -169.6 | 53.9 | -179.7 | 170.6 | 0 | 112.8 | K374 M375 T376 T382 F387 Y435 Y438 D439 | K374-K378 WeakPolarHBondContact O-CB 3.15Å; K374-K378 PolarHBondContact O-N 3.43Å; M375-K378 PolarHBondContact O-N 3.07Å; T376-K378 VanDerWaalsContact C-N 3.25Å; T376-K378 PolarHBondContact O-N 2.88Å; K378-T382 WeakPolarHBondContact CE-OG1 3.48Å; K378-T382 VanDerWaalsContact O-CB 3.29Å; K378-T382 WeakPolarHBondContact O-CB 3.12Å; K378-T382 PolarHBondContact O-N 3.25Å; K378-T382 VanDerWaalsContact O-N 3.12Å; K378-T382 PolarHBondContact O-OG1 3.22Å; K378-F387 HydrophobicContact CG-CE2 4.47Å; K378-Y435 HydrophobicContact CB-CD1 4.33Å; K378-Y435 HydrophobicContact CG-CD1 4.41Å; K378-Y438 HydrophobicContact CD-CD1 4.19Å; K378-Y438 HydrophobicContact CD-CG 4.34Å; K378-Y438 HydrophobicContact CG-CD1 4.18Å; K378-Y438 HydrophobicContact CG-CD2 4.29Å; K378-Y438 HydrophobicContact CG-CG 4.01Å; K378-D439 WeakPolarHBondContact CE-OD1 3.19Å; K378-D439 IonicContact NZ-OD1 2.97Å; K378-D439 PolarHBondContact NZ-OD1 2.85Å; K378-D439 IonicContact NZ-OD2 3.74Å; K378-D439 PolarHBondContact NZ-OD2 3.49Å |
| 379 | K | 93.6 | Very high | 93.5 | Very high | 115 Ų | 115 | 58.7 Ų | 58.7 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 176.5 | -175.5 | 179.6 | 179 | -176.5 | 0 | 111.8 | M375 T376 T382 F387 | M375-K379 VanDerWaalsContact O-CB 3.29Å; M375-K379 WeakPolarHBondContact O-CB 3.23Å; M375-K379 PolarHBondContact O-N 3.05Å; T376-K379 PolarHBondContact O-N 3.4Å; T376-K379 VanDerWaalsContact O-N 3.15Å; K379-T382 VanDerWaalsContact O-O 3.1Å; K379-F387 HydrophobicContact CB-CD1 4.33Å; K379-F387 HydrophobicContact CB-CD2 4.08Å; K379-F387 HydrophobicContact CB-CE1 4.02Å; K379-F387 HydrophobicContact CB-CE2 3.77Å; K379-F387 HydrophobicContact CB-CG 4.35Å; K379-F387 HydrophobicContact CB-CZ 3.73Å; K379-F387 HydrophobicContact CD-CD1 4.41Å; K379-F387 HydrophobicContact CD-CE1 4.03Å; K379-F387 HydrophobicContact CD-CZ 4.43Å; K379-F387 HydrophobicContact CG-CD1 3.88Å; K379-F387 HydrophobicContact CG-CD2 4.41Å; K379-F387 HydrophobicContact CG-CE1 3.83Å; K379-F387 HydrophobicContact CG-CE2 4.38Å; K379-F387 HydrophobicContact CG-CG 4.17Å; K379-F387 HydrophobicContact CG-CZ 4.09Å |
| 380 | E | 92.6 | Very high | 93.5 | Very high | 155 Ų | 155 | 58 Ų | 58 | 72% | 0.724 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -72.1 | -34.7 | 179.2 | -70.9 | 176.5 | 172.8 | 0 | 0 | 112.6 | T376 | T376-E380 HydrophobicContact CG2-CG 4.34Å; T376-E380 WeakPolarHBondContact CG2-OE1 3.43Å; T376-E380 WeakPolarHBondContact O-CB 3.31Å; T376-E380 WeakPolarHBondContact O-CG 3.39Å; T376-E380 PolarHBondContact O-N 3.4Å |
| 381 | A | 89.6 | Confident | 93.5 | Very high | 44 Ų | 44 | 66.1 Ų | 66.1 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -77.9 | -17.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q377 Q502 | Q377-A381 WeakPolarHBondContact O-CB 3.4Å; Q377-A381 PolarHBondContact O-N 3.14Å; Q377-A381 VanDerWaalsContact O-N 3.13Å; A381-Q502 WeakPolarHBondContact O-CA 3.37Å; A381-Q502 WeakPolarHBondContact O-CB 3.38Å; A381-Q502 VanDerWaalsContact O-O 3.1Å |
| 382 | T | 91.4 | Very high | 93.5 | Very high | 10 Ų | 10 | 70.9 Ų | 70.9 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -103.9 | 141.2 | -175.2 | -50.8 | 0 | 0 | 0 | 0 | 110.6 | K378 K379 L386 F387 | K378-T382 WeakPolarHBondContact CE-OG1 3.48Å; K378-T382 VanDerWaalsContact O-CB 3.29Å; K378-T382 WeakPolarHBondContact O-CB 3.12Å; K378-T382 PolarHBondContact O-N 3.25Å; K378-T382 VanDerWaalsContact O-N 3.12Å; K378-T382 PolarHBondContact O-OG1 3.22Å; K379-T382 VanDerWaalsContact O-O 3.1Å; T382-L386 HydrophobicContact CG2-CB 3.98Å; T382-F387 HydrophobicContact CG2-CB 4.13Å |
| 383 | L | 90.6 | Very high | 93.5 | Very high | 41 Ų | 41 | 68.2 Ų | 68.2 | 22% | 0.215 | 35% | 0.351 | C | S | . | . | trans | -57.2 | 135.9 | 173.6 | -75.9 | 170.1 | 0 | 0 | 0 | 110.9 | F385 L386 F387 F498 I501 Q502 | L383-F385 HydrophobicContact CB-CD1 4.12Å; L383-F385 HydrophobicContact CB-CE1 3.73Å; L383-F385 HydrophobicContact CB-CZ 4.2Å; L383-F385 HydrophobicContact CD1-CE1 3.84Å; L383-F385 HydrophobicContact CD1-CZ 3.84Å; L383-F385 HydrophobicContact CD2-CE1 4.43Å; L383-F385 HydrophobicContact CG-CE1 4.22Å; L383-F385 PolarHBondContact O-N 3.17Å; L383-L386 HydrophobicContact CB-CD1 4.3Å; L383-L386 HydrophobicContact CB-CG 4.42Å; L383-L386 HydrophobicContact CD1-CD1 4.36Å; L383-L386 PolarHBondContact O-N 2.64Å; L383-F387 PolarHBondContact O-N 3.04Å; L383-F387 VanDerWaalsContact O-N 3.13Å; L383-F498 HydrophobicContact CD1-CE2 4.48Å; L383-I501 HydrophobicContact CD1-CG2 4.27Å; L383-I501 HydrophobicContact CD2-CG2 3.68Å; L383-I501 HydrophobicContact CG-CG2 4.2Å; L383-Q502 HydrophobicContact CD1-CG 4.36Å; L383-Q502 HydrophobicContact CG-CG 3.99Å | ||
| 384 | P | 90.6 | Very high | 93.5 | Very high | 115 Ų | 115 | 69 Ų | 69 | 75% | 0.747 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -32.3 | -170.6 | -30 | 35 | 0 | 0 | 0 | 115.3 | ||
| 385 | F | 91.4 | Very high | 93.4 | Very high | 161 Ų | 161 | 71.5 Ų | 71.5 | 71% | 0.706 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -12.1 | 179.6 | 67.1 | -90.3 | 0 | 0 | 0 | 114.1 | L383 | L383-F385 HydrophobicContact CB-CD1 4.12Å; L383-F385 HydrophobicContact CB-CE1 3.73Å; L383-F385 HydrophobicContact CB-CZ 4.2Å; L383-F385 HydrophobicContact CD1-CE1 3.84Å; L383-F385 HydrophobicContact CD1-CZ 3.84Å; L383-F385 HydrophobicContact CD2-CE1 4.43Å; L383-F385 HydrophobicContact CG-CE1 4.22Å; L383-F385 PolarHBondContact O-N 3.17Å |
| 386 | L | 91.3 | Very high | 93.4 | Very high | 70 Ų | 70 | 74.4 Ų | 74.4 | 37% | 0.366 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -16.8 | 175.8 | -64.3 | 179.2 | 0 | 0 | 0 | 112.6 | T382 L383 T388 Y438 F498 | T382-L386 HydrophobicContact CG2-CB 3.98Å; L383-L386 HydrophobicContact CB-CD1 4.3Å; L383-L386 HydrophobicContact CB-CG 4.42Å; L383-L386 HydrophobicContact CD1-CD1 4.36Å; L383-L386 PolarHBondContact O-N 2.64Å; L386-T388 PolarHBondContact O-N 3.36Å; L386-Y438 PolarHBondContact O-OH 3.33Å; L386-F498 HydrophobicContact CD1-CE2 3.81Å; L386-F498 HydrophobicContact CD1-CZ 4.05Å |
| 387 | F | 94.4 | Very high | 93.4 | Very high | 30 Ų | 30 | 75.1 Ų | 75.1 | 13% | 0.132 | 39% | 0.394 | C | S | . | . | trans | -70.6 | 124.4 | 178.2 | -179.5 | -104.2 | 0 | 0 | 0 | 111.2 | M375 K378 K379 T382 L383 P389 Y435 | M375-F387 HydrophobicContact CG-CZ 4.16Å; K378-F387 HydrophobicContact CG-CE2 4.47Å; K379-F387 HydrophobicContact CB-CD1 4.33Å; K379-F387 HydrophobicContact CB-CD2 4.08Å; K379-F387 HydrophobicContact CB-CE1 4.02Å; K379-F387 HydrophobicContact CB-CE2 3.77Å; K379-F387 HydrophobicContact CB-CG 4.35Å; K379-F387 HydrophobicContact CB-CZ 3.73Å; K379-F387 HydrophobicContact CD-CD1 4.41Å; K379-F387 HydrophobicContact CD-CE1 4.03Å; K379-F387 HydrophobicContact CD-CZ 4.43Å; K379-F387 HydrophobicContact CG-CD1 3.88Å; K379-F387 HydrophobicContact CG-CD2 4.41Å; K379-F387 HydrophobicContact CG-CE1 3.83Å; K379-F387 HydrophobicContact CG-CE2 4.38Å; K379-F387 HydrophobicContact CG-CG 4.17Å; K379-F387 HydrophobicContact CG-CZ 4.09Å; T382-F387 HydrophobicContact CG2-CB 4.13Å; L383-F387 PolarHBondContact O-N 3.04Å; L383-F387 VanDerWaalsContact O-N 3.13Å; F387-P389 HydrophobicContact CE1-CB 3.93Å; F387-P389 HydrophobicContact CZ-CB 4.41Å; F387-Y435 HydrophobicContact CE2-CE1 4.02Å; F387-Y435 HydrophobicContact CZ-CE1 4.04Å | ||
| 388 | T | 94.8 | Very high | 93.6 | Very high | 68 Ų | 68 | 71.7 Ų | 71.7 | 42% | 0.417 | 38% | 0.378 | S | S | . | . | trans | -114.8 | 114 | 176 | -58.2 | 0 | 0 | 0 | 0 | 108.6 | L386 Y434 Y438 | L386-T388 PolarHBondContact O-N 3.36Å; T388-Y434 PolarHBondContact O-OH 3.04Å; T388-Y434 VanDerWaalsContact O-OH 3.1Å; T388-Y438 PolarHBondContact N-OH 3.22Å; T388-Y438 WeakPolarHBondContact O-CE2 3.35Å | ||
| 389 | P | 95 | Very high | 93.7 | Very high | 67 Ų | 67 | 75 Ų | 75 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | trans | -74.7 | 153.1 | 178.3 | 29.7 | -34.1 | 0 | 0 | 0 | 111.6 | F387 K391 | F387-P389 HydrophobicContact CE1-CB 3.93Å; F387-P389 HydrophobicContact CZ-CB 4.41Å; P389-K391 PolarHBondContact O-N 3.08Å; P389-K391 VanDerWaalsContact O-N 3.07Å | ||
| 390 | F | 96.7 | Very high | 93.9 | Very high | 27 Ų | 27 | 73.9 Ų | 73.9 | 12% | 0.118 | 40% | 0.396 | C | S | . | . | trans | -67 | 103.8 | 169.9 | -174.7 | -111.3 | 0 | 0 | 0 | 110.8 | F371 L392 L393 R430 Y434 Y435 | F371-F390 HydrophobicContact CE2-CB 4.27Å; F371-F390 HydrophobicContact CE2-CD1 4.07Å; F371-F390 HydrophobicContact CE2-CG 4.49Å; F371-F390 HydrophobicContact CZ-CB 4.46Å; F371-F390 HydrophobicContact CZ-CD1 4.32Å; F390-L392 VanDerWaalsContact C-N 3.32Å; F390-L392 HydrophobicContact CD1-CB 4.35Å; F390-L392 HydrophobicContact CE1-CB 3.69Å; F390-L392 HydrophobicContact CE2-CD1 4.37Å; F390-L392 HydrophobicContact CZ-CB 3.86Å; F390-L392 HydrophobicContact CZ-CD1 3.85Å; F390-L392 HydrophobicContact CZ-CG 4.24Å; F390-L392 PolarHBondContact O-N 3.3Å; F390-L393 HydrophobicContact CD1-CB 3.9Å; F390-L393 HydrophobicContact CE1-CB 4.09Å; F390-L393 PolarHBondContact O-N 2.91Å; F390-R430 HydrophobicContact CZ-CB 4.02Å; F390-Y434 HydrophobicContact CB-CD1 3.89Å; F390-Y434 HydrophobicContact CB-CE1 4.25Å; F390-Y434 HydrophobicContact CD2-CD1 4.1Å; F390-Y434 HydrophobicContact CD2-CD2 4.41Å; F390-Y434 AromaticContact CD2-CG 3.9Å; F390-Y434 HydrophobicContact CD2-CG 3.9Å; F390-Y434 HydrophobicContact CG-CD1 4.42Å; F390-Y435 HydrophobicContact CB-CE2 4.13Å; F390-Y435 PolarHBondContact N-OH 2.83Å | ||
| 391 | K | 95 | Very high | 94.1 | Very high | 172 Ų | 172 | 67.4 Ų | 67.4 | 75% | 0.748 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -65.6 | -27.2 | -168.2 | -65 | -176.9 | 179.7 | 178.3 | 0 | 115.2 | P389 L393 Q397 | P389-K391 PolarHBondContact O-N 3.08Å; P389-K391 VanDerWaalsContact O-N 3.07Å; K391-L393 VanDerWaalsContact C-N 3.29Å; K391-L393 PolarHBondContact O-N 3.09Å; K391-Q397 PolarHBondContact O-OE1 2.86Å |
| 392 | L | 95.9 | Very high | 94.5 | Very high | 99 Ų | 99 | 66.8 Ų | 66.8 | 52% | 0.518 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -75.9 | -17.3 | -174.9 | -63.5 | 173.9 | 0 | 0 | 0 | 113.3 | F390 Q397 L427 | F390-L392 VanDerWaalsContact C-N 3.32Å; F390-L392 HydrophobicContact CD1-CB 4.35Å; F390-L392 HydrophobicContact CE1-CB 3.69Å; F390-L392 HydrophobicContact CE2-CD1 4.37Å; F390-L392 HydrophobicContact CZ-CB 3.86Å; F390-L392 HydrophobicContact CZ-CD1 3.85Å; F390-L392 HydrophobicContact CZ-CG 4.24Å; F390-L392 PolarHBondContact O-N 3.3Å; L392-Q397 VanDerWaalsContact C-OE1 3.27Å; L392-Q397 PolarHBondContact O-OE1 3.45Å; L392-Q397 VanDerWaalsContact O-OE1 3.07Å; L392-L427 HydrophobicContact CB-CD2 4.09Å |
| 393 | L | 96.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.005 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -134.3 | 59.4 | -179.2 | -166.3 | 60.7 | 0 | 0 | 0 | 111 | L368 F371 F390 K391 Q398 I401 L424 L427 A428 | L368-L393 HydrophobicContact CD1-CD2 3.97Å; F371-L393 HydrophobicContact CD1-CD2 4.02Å; F371-L393 HydrophobicContact CE1-CB 4.39Å; F371-L393 HydrophobicContact CE1-CD2 3.81Å; F371-L393 HydrophobicContact CE1-CG 4.07Å; F371-L393 HydrophobicContact CE2-CD2 4.46Å; F371-L393 HydrophobicContact CG-CD2 4.41Å; F371-L393 HydrophobicContact CZ-CB 4.06Å; F371-L393 HydrophobicContact CZ-CD2 4.04Å; F371-L393 HydrophobicContact CZ-CG 4.23Å; F390-L393 HydrophobicContact CD1-CB 3.9Å; F390-L393 HydrophobicContact CE1-CB 4.09Å; F390-L393 PolarHBondContact O-N 2.91Å; K391-L393 VanDerWaalsContact C-N 3.29Å; K391-L393 PolarHBondContact O-N 3.09Å; L393-Q398 HydrophobicContact CD1-CG 3.79Å; L393-Q398 HydrophobicContact CD2-CG 4.43Å; L393-Q398 HydrophobicContact CG-CG 3.69Å; L393-Q398 PolarHBondContact O-NE2 2.97Å; L393-I401 HydrophobicContact CD1-CD1 4.36Å; L393-L424 HydrophobicContact CD1-CD1 3.86Å; L393-L424 HydrophobicContact CD2-CD1 4.4Å; L393-L427 HydrophobicContact CD1-CB 4.28Å; L393-L427 HydrophobicContact CD1-CD1 4.34Å; L393-L427 HydrophobicContact CD2-CB 4.14Å; L393-A428 HydrophobicContact CD2-CB 4.04Å |
| 394 | S | 94.7 | Very high | 95.1 | Very high | 42 Ų | 42 | 76.2 Ų | 76.2 | 29% | 0.294 | 39% | 0.391 | S | S | . | . | trans | -63.6 | 159.7 | 174.3 | 61 | 0 | 0 | 0 | 0 | 112.4 | S396 Q397 Q398 | S394-S396 PolarHBondContact O-N 2.81Å; S394-S396 PolarHBondContact OG-OG 3.07Å; S394-Q397 WeakPolarHBondContact O-CB 3.41Å; S394-Q397 PolarHBondContact O-N 3.11Å; S394-Q397 WeakPolarHBondContact OG-CG 3.19Å; S394-Q397 PolarHBondContact OG-OE1 3.22Å; S394-Q398 WeakPolarHBondContact O-CG 3.03Å; S394-Q398 PolarHBondContact O-N 3.32Å | ||
| 395 | D | 93.3 | Very high | 95.4 | Very high | 96 Ų | 96 | 70.8 Ų | 70.8 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.8 | -35.8 | -179.1 | -61.4 | -26.1 | 0 | 0 | 0 | 112.7 | Q398 L399 | D395-Q398 PolarHBondContact OD1-NE2 2.9Å; D395-L399 WeakPolarHBondContact O-CG 3.48Å; D395-L399 PolarHBondContact O-N 3.07Å; D395-L399 VanDerWaalsContact O-N 3.1Å |
| 396 | S | 94.3 | Very high | 95.7 | Very high | 79 Ų | 79 | 67.6 Ų | 67.6 | 55% | 0.552 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.9 | -41.8 | 175.7 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | S394 L399 D400 | S394-S396 PolarHBondContact O-N 2.81Å; S394-S396 PolarHBondContact OG-OG 3.07Å; S396-L399 PolarHBondContact O-N 2.82Å; S396-D400 WeakPolarHBondContact O-CB 3.5Å; S396-D400 PolarHBondContact O-N 3.27Å |
| 397 | Q | 95.6 | Very high | 96 | Very high | 77 Ų | 77 | 66.8 Ų | 66.8 | 36% | 0.36 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 175.9 | -74.9 | 169.4 | -46.4 | 0 | 0 | 111.7 | K391 L392 S394 L399 D400 I401 | K391-Q397 PolarHBondContact O-OE1 2.86Å; L392-Q397 VanDerWaalsContact C-OE1 3.27Å; L392-Q397 PolarHBondContact O-OE1 3.45Å; L392-Q397 VanDerWaalsContact O-OE1 3.07Å; S394-Q397 WeakPolarHBondContact O-CB 3.41Å; S394-Q397 PolarHBondContact O-N 3.11Å; S394-Q397 WeakPolarHBondContact OG-CG 3.19Å; S394-Q397 PolarHBondContact OG-OE1 3.22Å; Q397-L399 VanDerWaalsContact C-N 3.34Å; Q397-L399 PolarHBondContact O-N 3.23Å; Q397-D400 PolarHBondContact O-N 3.39Å; Q397-I401 WeakPolarHBondContact O-CG1 3.34Å; Q397-I401 PolarHBondContact O-N 3.09Å |
| 398 | Q | 95.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 68 Ų | 68 | 3% | 0.033 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.7 | -50.8 | 174.2 | -66.5 | 168.1 | 46.6 | 0 | 0 | 110.6 | L368 L393 S394 D395 D400 L402 | L368-Q398 HydrophobicContact CD1-CG 4.04Å; L393-Q398 HydrophobicContact CD1-CG 3.79Å; L393-Q398 HydrophobicContact CD2-CG 4.43Å; L393-Q398 HydrophobicContact CG-CG 3.69Å; L393-Q398 PolarHBondContact O-NE2 2.97Å; S394-Q398 WeakPolarHBondContact O-CG 3.03Å; S394-Q398 PolarHBondContact O-N 3.32Å; D395-Q398 PolarHBondContact OD1-NE2 2.9Å; Q398-D400 VanDerWaalsContact C-N 3.32Å; Q398-D400 PolarHBondContact O-N 2.91Å; Q398-L402 WeakPolarHBondContact O-CB 3.35Å; Q398-L402 VanDerWaalsContact O-CG 3.25Å; Q398-L402 WeakPolarHBondContact O-CG 3.25Å; Q398-L402 PolarHBondContact O-N 3.35Å; Q398-L402 VanDerWaalsContact O-N 3.07Å |
| 399 | L | 95.6 | Very high | 96.3 | Very high | 98 Ų | 98 | 65.5 Ų | 65.5 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.3 | -34 | 179.3 | -71.9 | 172.3 | 0 | 0 | 0 | 112.9 | D395 S396 Q397 R403 | D395-L399 WeakPolarHBondContact O-CG 3.48Å; D395-L399 PolarHBondContact O-N 3.07Å; D395-L399 VanDerWaalsContact O-N 3.1Å; S396-L399 PolarHBondContact O-N 2.82Å; Q397-L399 VanDerWaalsContact C-N 3.34Å; Q397-L399 PolarHBondContact O-N 3.23Å; L399-R403 VanDerWaalsContact O-CB 3.31Å; L399-R403 WeakPolarHBondContact O-CB 3.39Å; L399-R403 VanDerWaalsContact O-CG 3.26Å; L399-R403 WeakPolarHBondContact O-CG 3.21Å; L399-R403 PolarHBondContact O-N 2.91Å; L399-R403 VanDerWaalsContact O-N 3.13Å; L399-R403 PolarHBondContact O-NE 2.98Å |
| 400 | D | 96.9 | Very high | 96.4 | Very high | 93 Ų | 93 | 70.9 Ų | 70.9 | 50% | 0.497 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.7 | -50.6 | 177.6 | -172.2 | 59.4 | 0 | 0 | 0 | 111.4 | S396 Q397 Q398 L402 R403 K404 | S396-D400 WeakPolarHBondContact O-CB 3.5Å; S396-D400 PolarHBondContact O-N 3.27Å; Q397-D400 PolarHBondContact O-N 3.39Å; Q398-D400 VanDerWaalsContact C-N 3.32Å; Q398-D400 PolarHBondContact O-N 2.91Å; D400-L402 PolarHBondContact O-N 3.5Å; D400-R403 PolarHBondContact O-N 2.92Å; D400-K404 VanDerWaalsContact O-CB 3.31Å; D400-K404 WeakPolarHBondContact O-CB 3.11Å; D400-K404 PolarHBondContact O-N 3.49Å |
| 401 | I | 97.3 | Very high | 96.5 | Very high | 19 Ų | 19 | 74 Ų | 74 | 10% | 0.097 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 178.3 | -66.7 | 169.6 | 0 | 0 | 0 | 110.8 | L393 Q397 R403 K404 A405 L420 L424 L427 | L393-I401 HydrophobicContact CD1-CD1 4.36Å; Q397-I401 WeakPolarHBondContact O-CG1 3.34Å; Q397-I401 PolarHBondContact O-N 3.09Å; I401-R403 PolarHBondContact O-N 3.47Å; I401-K404 PolarHBondContact O-N 3.15Å; I401-A405 WeakPolarHBondContact O-CB 3.31Å; I401-A405 PolarHBondContact O-N 3.48Å; I401-L420 HydrophobicContact CG2-CD1 3.97Å; I401-L420 HydrophobicContact CG2-CD2 4.34Å; I401-L420 HydrophobicContact CG2-CG 3.92Å; I401-L424 HydrophobicContact CD1-CD1 4.21Å; I401-L424 HydrophobicContact CG2-CB 4.05Å; I401-L424 HydrophobicContact CG2-CD1 4.27Å; I401-L424 HydrophobicContact CG2-CD2 4Å; I401-L424 HydrophobicContact CG2-CG 4.33Å; I401-L427 HydrophobicContact CD1-CD1 4.44Å |
| 402 | L | 97.4 | Very high | 96.6 | Very high | 31 Ų | 31 | 73 Ų | 73 | 16% | 0.162 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 178.9 | -68.9 | 174.7 | 0 | 0 | 0 | 112.3 | F361 V365 L368 Q398 D400 R406 L424 | F361-L402 HydrophobicContact CE2-CD2 3.8Å; F361-L402 HydrophobicContact CZ-CD2 3.79Å; V365-L402 HydrophobicContact CG2-CD2 3.89Å; L368-L402 HydrophobicContact CD2-CD1 3.88Å; L368-L402 HydrophobicContact CD2-CD2 4.31Å; L368-L402 HydrophobicContact CD2-CG 4.32Å; Q398-L402 WeakPolarHBondContact O-CB 3.35Å; Q398-L402 VanDerWaalsContact O-CG 3.25Å; Q398-L402 WeakPolarHBondContact O-CG 3.25Å; Q398-L402 PolarHBondContact O-N 3.35Å; Q398-L402 VanDerWaalsContact O-N 3.07Å; D400-L402 PolarHBondContact O-N 3.5Å; L402-R406 WeakPolarHBondContact O-CG 3.15Å; L402-R406 PolarHBondContact O-N 3.46Å; L402-R406 VanDerWaalsContact O-N 3.07Å; L402-L424 HydrophobicContact CD2-CD2 3.94Å |
| 403 | R | 97.6 | Very high | 96.7 | Very high | 158 Ų | 158 | 72.2 Ų | 72.2 | 60% | 0.596 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65 | -42 | 176.1 | -81.1 | -179.5 | -78.3 | 165.3 | -5.2 | 111.6 | L399 D400 I401 R406 S407 | L399-R403 VanDerWaalsContact O-CB 3.31Å; L399-R403 WeakPolarHBondContact O-CB 3.39Å; L399-R403 VanDerWaalsContact O-CG 3.26Å; L399-R403 WeakPolarHBondContact O-CG 3.21Å; L399-R403 PolarHBondContact O-N 2.91Å; L399-R403 VanDerWaalsContact O-N 3.13Å; L399-R403 PolarHBondContact O-NE 2.98Å; D400-R403 PolarHBondContact O-N 2.92Å; I401-R403 PolarHBondContact O-N 3.47Å; R403-R406 PolarHBondContact O-N 3.31Å; R403-S407 WeakPolarHBondContact O-CB 3.31Å; R403-S407 PolarHBondContact O-N 3.39Å |
| 404 | K | 97.9 | Very high | 96.8 | Very high | 90 Ų | 90 | 74.3 Ų | 74.3 | 39% | 0.391 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.4 | -46 | 177.8 | -173.5 | 179.6 | 178.8 | -172.3 | 0 | 111.4 | D400 I401 R406 S407 Y408 L420 | D400-K404 VanDerWaalsContact O-CB 3.31Å; D400-K404 WeakPolarHBondContact O-CB 3.11Å; D400-K404 PolarHBondContact O-N 3.49Å; I401-K404 PolarHBondContact O-N 3.15Å; K404-R406 PolarHBondContact O-N 2.95Å; K404-S407 WeakPolarHBondContact O-CB 2.96Å; K404-S407 PolarHBondContact O-N 3Å; K404-S407 VanDerWaalsContact O-N 3.13Å; K404-Y408 HydrophobicContact CD-CE2 4.29Å; K404-Y408 VanDerWaalsContact CE-CZ 3.44Å; K404-Y408 WeakPolarHBondContact CE-OH 2.98Å; K404-Y408 HydrophobicContact CG-CD2 4.35Å; K404-Y408 HydrophobicContact CG-CE1 4.37Å; K404-Y408 HydrophobicContact CG-CE2 3.93Å; K404-Y408 PolarHBondContact O-N 2.86Å; K404-L420 HydrophobicContact CB-CD2 3.99Å; K404-L420 HydrophobicContact CD-CD2 3.9Å; K404-L420 HydrophobicContact CG-CD2 3.83Å |
| 405 | A | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.008 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F361 I401 S407 Y408 I409 L420 | F361-A405 HydrophobicContact CD2-CB 3.73Å; F361-A405 HydrophobicContact CE2-CB 3.79Å; I401-A405 WeakPolarHBondContact O-CB 3.31Å; I401-A405 PolarHBondContact O-N 3.48Å; A405-S407 VanDerWaalsContact C-N 3.29Å; A405-S407 PolarHBondContact O-N 3.28Å; A405-Y408 PolarHBondContact O-N 3.31Å; A405-I409 WeakPolarHBondContact O-CG1 3.29Å; A405-I409 PolarHBondContact O-N 3.5Å; A405-L420 HydrophobicContact CB-CD2 4Å |
| 406 | R | 97.4 | Very high | 97.1 | Very high | 95 Ų | 95 | 78.6 Ų | 78.6 | 36% | 0.358 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.6 | -34.9 | 175 | -71.7 | -61.6 | -173 | -151.4 | 5.7 | 113.3 | E358 F361 L402 R403 K404 K410 | E358-R406 VanDerWaalsContact CD-NH1 3.28Å; E358-R406 IonicContact OE1-NH1 3.4Å; E358-R406 PolarHBondContact OE1-NH1 3.4Å; E358-R406 VanDerWaalsContact OE1-NH1 3.11Å; E358-R406 IonicContact OE2-CZ 3.27Å; E358-R406 IonicContact OE2-NH1 2.72Å; E358-R406 PolarHBondContact OE2-NH1 3.34Å; E358-R406 IonicContact OE2-NH2 2.82Å; F361-R406 VanDerWaalsContact CD1-NH2 3.3Å; F361-R406 HydrophobicContact CE2-CG 4.22Å; F361-R406 HydrophobicContact CZ-CG 4.13Å; L402-R406 WeakPolarHBondContact O-CG 3.15Å; L402-R406 PolarHBondContact O-N 3.46Å; L402-R406 VanDerWaalsContact O-N 3.07Å; R403-R406 PolarHBondContact O-N 3.31Å; K404-R406 PolarHBondContact O-N 2.95Å; R406-K410 WeakPolarHBondContact O-CG 3.39Å; R406-K410 PolarHBondContact O-N 3.1Å |
| 407 | S | 98 | Very high | 97.3 | Very high | 52 Ų | 52 | 74.8 Ų | 74.8 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 174.3 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | R403 K404 A405 K410 Q411 | R403-S407 WeakPolarHBondContact O-CB 3.31Å; R403-S407 PolarHBondContact O-N 3.39Å; K404-S407 WeakPolarHBondContact O-CB 2.96Å; K404-S407 PolarHBondContact O-N 3Å; K404-S407 VanDerWaalsContact O-N 3.13Å; A405-S407 VanDerWaalsContact C-N 3.29Å; A405-S407 PolarHBondContact O-N 3.28Å; S407-K410 PolarHBondContact O-N 3.08Å; S407-Q411 WeakPolarHBondContact O-CG 3.48Å; S407-Q411 PolarHBondContact O-N 3.09Å; S407-Q411 VanDerWaalsContact O-N 3.1Å; S407-Q411 PolarHBondContact O-NE2 3.29Å; S407-Q411 PolarHBondContact OG-NE2 3.49Å |
| 408 | Y | 98.2 | Very high | 97.4 | Very high | 56 Ų | 56 | 72 Ų | 72 | 22% | 0.22 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.6 | -36.9 | 177.6 | -72 | -12.2 | 0 | 0 | 0 | 113.1 | K404 A405 K410 Q411 E412 K413 E416 V417 L420 | K404-Y408 HydrophobicContact CD-CE2 4.29Å; K404-Y408 VanDerWaalsContact CE-CZ 3.44Å; K404-Y408 WeakPolarHBondContact CE-OH 2.98Å; K404-Y408 HydrophobicContact CG-CD2 4.35Å; K404-Y408 HydrophobicContact CG-CE1 4.37Å; K404-Y408 HydrophobicContact CG-CE2 3.93Å; K404-Y408 PolarHBondContact O-N 2.86Å; A405-Y408 PolarHBondContact O-N 3.31Å; Y408-K410 VanDerWaalsContact C-N 3.31Å; Y408-K410 PolarHBondContact O-N 3.12Å; Y408-Q411 CarbonylContact O-C 3.44Å; Y408-Q411 PolarHBondContact O-N 3.13Å; Y408-Q411 VanDerWaalsContact O-N 3.08Å; Y408-E412 PolarHBondContact O-N 2.93Å; Y408-E412 VanDerWaalsContact O-N 3.1Å; Y408-K413 HydrophobicContact CD1-CD 4.18Å; Y408-K413 HydrophobicContact CE1-CD 4.47Å; Y408-K413 HydrophobicContact CG-CB 4.39Å; Y408-K413 PolarHBondContact O-N 3.36Å; Y408-E416 HydrophobicContact CD2-CB 3.92Å; Y408-E416 HydrophobicContact CE2-CB 4.1Å; Y408-V417 VanDerWaalsContact CB-CG2 3.44Å; Y408-L420 HydrophobicContact CD2-CD2 4.37Å; Y408-L420 HydrophobicContact CE2-CD2 4.44Å |
| 409 | I | 96.8 | Very high | 97.5 | Very high | 16 Ų | 16 | 75 Ų | 75 | 8% | 0.082 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.6 | -45.6 | 171.7 | -67.8 | 172.7 | 0 | 0 | 0 | 110.5 | L354 A357 E358 F361 A405 Q411 E412 V417 | L354-I409 HydrophobicContact CD1-CG2 3.85Å; A357-I409 HydrophobicContact CB-CG1 4.46Å; E358-I409 HydrophobicContact CG-CD1 4.49Å; F361-I409 HydrophobicContact CB-CD1 4.46Å; A405-I409 WeakPolarHBondContact O-CG1 3.29Å; A405-I409 PolarHBondContact O-N 3.5Å; I409-Q411 PolarHBondContact O-N 2.72Å; I409-E412 PolarHBondContact O-N 3.01Å; 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 3.95Å; I409-V417 HydrophobicContact CG1-CG2 3.61Å |
| 410 | K | 97 | Very high | 97.6 | Very high | 180 Ų | 180 | 71 Ų | 71 | 78% | 0.783 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.7 | -25.9 | 177 | -69.8 | 178.3 | -179.6 | -176.1 | 0 | 113.7 | R406 S407 Y408 E412 | R406-K410 WeakPolarHBondContact O-CG 3.39Å; R406-K410 PolarHBondContact O-N 3.1Å; S407-K410 PolarHBondContact O-N 3.08Å; Y408-K410 VanDerWaalsContact C-N 3.31Å; Y408-K410 PolarHBondContact O-N 3.12Å; K410-E412 VanDerWaalsContact C-N 3.32Å |
| 411 | Q | 97.8 | Very high | 97.7 | Very high | 92 Ų | 92 | 66.6 Ų | 66.6 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 4.5 | 176.6 | -68 | 172 | 47.7 | 0 | 0 | 112.8 | S407 Y408 I409 K413 | S407-Q411 WeakPolarHBondContact O-CG 3.48Å; S407-Q411 PolarHBondContact O-N 3.09Å; S407-Q411 VanDerWaalsContact O-N 3.1Å; S407-Q411 PolarHBondContact O-NE2 3.29Å; S407-Q411 PolarHBondContact OG-NE2 3.49Å; Y408-Q411 CarbonylContact O-C 3.44Å; Y408-Q411 PolarHBondContact O-N 3.13Å; Y408-Q411 VanDerWaalsContact O-N 3.08Å; I409-Q411 PolarHBondContact O-N 2.72Å; Q411-K413 HydrophobicContact CB-CD 4.26Å; Q411-K413 HydrophobicContact CB-CG 4.23Å; Q411-K413 PolarHBondContact O-N 2.95Å |
| 412 | E | 97.2 | Very high | 97.8 | Very high | 151 Ų | 151 | 69.7 Ų | 69.7 | 71% | 0.706 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 23.7 | -177 | -54.6 | -176.2 | 172.2 | 0 | 0 | 114.4 | Y408 I409 K410 F414 | Y408-E412 PolarHBondContact O-N 2.93Å; Y408-E412 VanDerWaalsContact O-N 3.1Å; I409-E412 PolarHBondContact O-N 3.01Å; 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 3.96Å; E412-F414 HydrophobicContact CB-CZ 3.89Å; E412-F414 HydrophobicContact CG-CE2 4.48Å; E412-F414 HydrophobicContact CG-CZ 4.06Å; E412-F414 PolarHBondContact O-N 3.45Å; E412-F414 VanDerWaalsContact O-N 3.12Å |
| 413 | K | 97.9 | Very high | 97.8 | Very high | 83 Ų | 83 | 73.4 Ų | 73.4 | 36% | 0.361 | 34% | 0.344 | S | S | . | . | trans | -87.3 | 65.6 | 176.4 | -72.9 | 179.2 | -179.4 | 164.8 | 0 | 110.8 | Y408 Q411 E416 V417 | Y408-K413 HydrophobicContact CD1-CD 4.18Å; Y408-K413 HydrophobicContact CE1-CD 4.47Å; Y408-K413 HydrophobicContact CG-CB 4.39Å; Y408-K413 PolarHBondContact O-N 3.36Å; Q411-K413 HydrophobicContact CB-CD 4.26Å; Q411-K413 HydrophobicContact CB-CG 4.23Å; Q411-K413 PolarHBondContact O-N 2.95Å; K413-E416 VanDerWaalsContact C-OE2 3.24Å; K413-E416 WeakPolarHBondContact CA-OE2 3.48Å; K413-E416 HydrophobicContact CB-CB 4.32Å; K413-E416 WeakPolarHBondContact CB-OE2 3.4Å; K413-V417 VanDerWaalsContact O-CG2 3.31Å; K413-V417 WeakPolarHBondContact O-CG2 3.23Å; K413-V417 PolarHBondContact O-N 3.23Å | ||
| 414 | F | 97.9 | Very high | 97.8 | Very high | 44 Ų | 44 | 66 Ų | 66 | 19% | 0.193 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.8 | -38.4 | -167.6 | -58.5 | -53 | 0 | 0 | 0 | 113.7 | G353 L354 A357 E412 E416 V417 V418 | G353-F414 VanDerWaalsContact C-CG 3.45Å; L354-F414 HydrophobicContact CB-CE1 3.81Å; L354-F414 HydrophobicContact CB-CE2 4.43Å; L354-F414 HydrophobicContact CB-CZ 3.76Å; L354-F414 HydrophobicContact CD1-CE1 3.71Å; L354-F414 HydrophobicContact CD1-CZ 4.24Å; L354-F414 HydrophobicContact CG-CE1 4.38Å; A357-F414 HydrophobicContact CB-CB 4.09Å; A357-F414 HydrophobicContact CB-CD1 3.72Å; A357-F414 HydrophobicContact CB-CG 4.31Å; E412-F414 VanDerWaalsContact C-N 3.3Å; E412-F414 HydrophobicContact CB-CE2 3.96Å; E412-F414 HydrophobicContact CB-CZ 3.89Å; E412-F414 HydrophobicContact CG-CE2 4.48Å; E412-F414 HydrophobicContact CG-CZ 4.06Å; E412-F414 PolarHBondContact O-N 3.45Å; E412-F414 VanDerWaalsContact O-N 3.12Å; F414-E416 VanDerWaalsContact C-N 3.33Å; F414-E416 PolarHBondContact O-N 2.94Å; F414-V417 WeakPolarHBondContact O-CB 3.4Å; F414-V417 PolarHBondContact O-N 2.97Å; F414-V418 WeakPolarHBondContact O-CG2 3.05Å; F414-V418 PolarHBondContact O-N 3.01Å |
| 415 | D | 97.1 | Very high | 97.9 | Very high | 135 Ų | 135 | 61.7 Ų | 61.7 | 72% | 0.722 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -67.9 | -36.5 | 179.9 | -67.3 | -33 | 0 | 0 | 0 | 111 | V417 V418 S419 | D415-V417 VanDerWaalsContact C-N 3.33Å; D415-V417 PolarHBondContact O-N 2.89Å; D415-V418 PolarHBondContact O-N 3.15Å; D415-S419 PolarHBondContact O-N 3.06Å |
| 416 | E | 97.9 | Very high | 97.9 | Very high | 93 Ų | 93 | 64.7 Ų | 64.7 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.3 | -32.5 | 173.7 | -62.8 | 88.9 | 156.3 | 0 | 0 | 112.6 | Y408 K413 F414 L420 | Y408-E416 HydrophobicContact CD2-CB 3.92Å; Y408-E416 HydrophobicContact CE2-CB 4.1Å; K413-E416 VanDerWaalsContact C-OE2 3.24Å; K413-E416 WeakPolarHBondContact CA-OE2 3.48Å; K413-E416 HydrophobicContact CB-CB 4.32Å; K413-E416 WeakPolarHBondContact CB-OE2 3.4Å; F414-E416 VanDerWaalsContact C-N 3.33Å; F414-E416 PolarHBondContact O-N 2.94Å; E416-L420 WeakPolarHBondContact O-CB 3.35Å; E416-L420 PolarHBondContact O-N 3.12Å |
| 417 | V | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.6 | -47.2 | 172.6 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | A357 Y408 I409 K413 F414 D415 S419 L420 C421 | A357-V417 HydrophobicContact CB-CB 4.04Å; A357-V417 HydrophobicContact CB-CG1 3.91Å; Y408-V417 VanDerWaalsContact CB-CG2 3.44Å; I409-V417 HydrophobicContact CD1-CG1 4.16Å; I409-V417 HydrophobicContact CG1-CB 4.37Å; I409-V417 HydrophobicContact CG1-CG1 3.95Å; I409-V417 HydrophobicContact CG1-CG2 3.61Å; K413-V417 VanDerWaalsContact O-CG2 3.31Å; K413-V417 WeakPolarHBondContact O-CG2 3.23Å; K413-V417 PolarHBondContact O-N 3.23Å; F414-V417 WeakPolarHBondContact O-CB 3.4Å; F414-V417 PolarHBondContact O-N 2.97Å; D415-V417 VanDerWaalsContact C-N 3.33Å; D415-V417 PolarHBondContact O-N 2.89Å; V417-S419 PolarHBondContact O-N 3.49Å; V417-L420 PolarHBondContact O-N 3.44Å; V417-C421 WeakPolarHBondContact O-CB 3Å; V417-C421 PolarHBondContact O-N 2.89Å; V417-C421 PolarHBondContact O-SG 3.14Å; V417-C421 VanDerWaalsContact O-SG 3.34Å |
| 418 | V | 98.1 | Very high | 97.9 | Very high | 17 Ų | 17 | 58.9 Ų | 58.9 | 10% | 0.103 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.3 | -51.2 | 178.7 | 170.9 | 0 | 0 | 0 | 0 | 110 | V346 M360 F414 D415 L420 C421 E422 | V346-V418 HydrophobicContact CG2-CG1 3.97Å; M360-V418 HydrophobicContact CB-CG2 4.35Å; M360-V418 HydrophobicContact CE-CG1 4.09Å; M360-V418 HydrophobicContact CG-CG1 4.39Å; F414-V418 WeakPolarHBondContact O-CG2 3.05Å; F414-V418 PolarHBondContact O-N 3.01Å; D415-V418 PolarHBondContact O-N 3.15Å; V418-L420 PolarHBondContact O-N 3.11Å; V418-C421 PolarHBondContact O-N 3.36Å; V418-E422 WeakPolarHBondContact O-CG 3.44Å; V418-E422 PolarHBondContact O-N 2.97Å |
| 419 | S | 98 | Very high | 97.8 | Very high | 72 Ų | 72 | 58.4 Ų | 58.4 | 50% | 0.503 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 179.5 | -179.4 | 0 | 0 | 0 | 0 | 112.9 | D415 V417 C421 E422 E423 | D415-S419 PolarHBondContact O-N 3.06Å; V417-S419 PolarHBondContact O-N 3.49Å; S419-C421 VanDerWaalsContact C-N 3.35Å; S419-C421 PolarHBondContact O-N 3.13Å; S419-E422 PolarHBondContact O-N 3.2Å; S419-E423 PolarHBondContact O-N 2.98Å; S419-E423 VanDerWaalsContact O-N 3.08Å |
| 420 | L | 98.3 | Very high | 97.8 | Very high | 13 Ų | 13 | 64.2 Ų | 64.2 | 7% | 0.068 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.6 | -36.1 | 177.5 | -177.8 | 63.5 | 0 | 0 | 0 | 112.4 | I401 K404 A405 Y408 E416 V417 V418 L424 | I401-L420 HydrophobicContact CG2-CD1 3.97Å; I401-L420 HydrophobicContact CG2-CD2 4.34Å; I401-L420 HydrophobicContact CG2-CG 3.92Å; K404-L420 HydrophobicContact CB-CD2 3.99Å; K404-L420 HydrophobicContact CD-CD2 3.9Å; K404-L420 HydrophobicContact CG-CD2 3.83Å; A405-L420 HydrophobicContact CB-CD2 4Å; Y408-L420 HydrophobicContact CD2-CD2 4.37Å; Y408-L420 HydrophobicContact CE2-CD2 4.44Å; E416-L420 WeakPolarHBondContact O-CB 3.35Å; E416-L420 PolarHBondContact O-N 3.12Å; V417-L420 PolarHBondContact O-N 3.44Å; V418-L420 PolarHBondContact O-N 3.11Å; L420-L424 PolarHBondContact O-N 3.07Å |
| 421 | C | 98.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.3 | -36.9 | 176.4 | -75.2 | 0 | 0 | 0 | 0 | 112.2 | M360 A364 V417 V418 S419 E423 L424 I425 | M360-C421 HydrophobicContact CG-CB 3.57Å; M360-C421 HydrophobicContact SD-CB 4.49Å; A364-C421 HydrophobicContact CB-CB 3.91Å; V417-C421 WeakPolarHBondContact O-CB 3Å; V417-C421 PolarHBondContact O-N 2.89Å; V417-C421 PolarHBondContact O-SG 3.14Å; V417-C421 VanDerWaalsContact O-SG 3.34Å; V418-C421 PolarHBondContact O-N 3.36Å; S419-C421 VanDerWaalsContact C-N 3.35Å; S419-C421 PolarHBondContact O-N 3.13Å; C421-E423 VanDerWaalsContact C-N 3.33Å; C421-L424 WeakPolarHBondContact O-CB 3.33Å; C421-L424 PolarHBondContact O-N 3.24Å; C421-I425 VanDerWaalsContact O-CG1 3.25Å; C421-I425 WeakPolarHBondContact O-CG1 3.39Å; C421-I425 PolarHBondContact O-N 3.29Å |
| 422 | E | 98.1 | Very high | 97.6 | Very high | 83 Ų | 83 | 51.7 Ų | 51.7 | 39% | 0.388 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 171.3 | -72.4 | 173.5 | 163.7 | 0 | 0 | 111.4 | I343 M360 V418 S419 I425 D426 | I343-E422 HydrophobicContact CG2-CG 4.49Å; M360-E422 HydrophobicContact CE-CG 3.85Å; M360-E422 HydrophobicContact SD-CG 4.46Å; V418-E422 WeakPolarHBondContact O-CG 3.44Å; V418-E422 PolarHBondContact O-N 2.97Å; S419-E422 PolarHBondContact O-N 3.2Å; E422-I425 PolarHBondContact O-N 3.48Å; E422-D426 PolarHBondContact O-N 3.35Å |
| 423 | E | 97.9 | Very high | 97.3 | Very high | 110 Ų | 110 | 47.8 Ų | 47.8 | 51% | 0.514 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 173.7 | -174.2 | -176.4 | 177.8 | 0 | 0 | 111.7 | S419 C421 I425 D426 L427 | S419-E423 PolarHBondContact O-N 2.98Å; S419-E423 VanDerWaalsContact O-N 3.08Å; C421-E423 VanDerWaalsContact C-N 3.33Å; E423-I425 VanDerWaalsContact C-N 3.33Å; E423-I425 PolarHBondContact O-N 2.94Å; E423-D426 PolarHBondContact O-N 3.47Å; E423-L427 HydrophobicContact CG-CD1 4.39Å; E423-L427 WeakPolarHBondContact O-CG 3.36Å; E423-L427 PolarHBondContact O-N 3.39Å |
| 424 | L | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.1 | -179.9 | 57.5 | 0 | 0 | 0 | 111.9 | A364 L368 L393 I401 L402 L420 C421 L427 A428 | A364-L424 HydrophobicContact CB-CD2 4.16Å; L368-L424 HydrophobicContact CD1-CD1 4.37Å; L368-L424 HydrophobicContact CD2-CD2 4.36Å; L393-L424 HydrophobicContact CD1-CD1 3.86Å; L393-L424 HydrophobicContact CD2-CD1 4.4Å; I401-L424 HydrophobicContact CD1-CD1 4.21Å; I401-L424 HydrophobicContact CG2-CB 4.05Å; I401-L424 HydrophobicContact CG2-CD1 4.27Å; I401-L424 HydrophobicContact CG2-CD2 4Å; I401-L424 HydrophobicContact CG2-CG 4.33Å; L402-L424 HydrophobicContact CD2-CD2 3.94Å; L420-L424 PolarHBondContact O-N 3.07Å; C421-L424 WeakPolarHBondContact O-CB 3.33Å; C421-L424 PolarHBondContact O-N 3.24Å; L424-L427 PolarHBondContact O-N 3.42Å; L424-A428 VanDerWaalsContact O-CB 3.24Å; L424-A428 WeakPolarHBondContact O-CB 3.36Å; L424-A428 PolarHBondContact O-N 2.86Å |
| 425 | I | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.9 | -47.6 | 178.1 | -70.5 | 165.2 | 0 | 0 | 0 | 110.4 | I343 M360 A364 I367 C421 E422 E423 L427 A428 L429 | I343-I425 HydrophobicContact CD1-CG2 4.07Å; I343-I425 HydrophobicContact CG1-CG2 3.92Å; I343-I425 HydrophobicContact CG2-CD1 4.33Å; M360-I425 HydrophobicContact SD-CD1 3.98Å; A364-I425 HydrophobicContact CB-CD1 3.91Å; A364-I425 HydrophobicContact CB-CG1 3.69Å; I367-I425 HydrophobicContact CD1-CB 4.48Å; I367-I425 HydrophobicContact CD1-CD1 4.35Å; I367-I425 HydrophobicContact CD1-CG1 4.08Å; I367-I425 HydrophobicContact CD1-CG2 3.62Å; I367-I425 HydrophobicContact CG2-CG2 4.45Å; C421-I425 VanDerWaalsContact O-CG1 3.25Å; C421-I425 WeakPolarHBondContact O-CG1 3.39Å; C421-I425 PolarHBondContact O-N 3.29Å; E422-I425 PolarHBondContact O-N 3.48Å; E423-I425 VanDerWaalsContact C-N 3.33Å; E423-I425 PolarHBondContact O-N 2.94Å; I425-L427 VanDerWaalsContact C-N 3.34Å; I425-L427 PolarHBondContact O-N 2.99Å; I425-A428 PolarHBondContact O-N 3.33Å; I425-L429 HydrophobicContact CG2-CD1 3.71Å; I425-L429 HydrophobicContact CG2-CG 4.11Å; I425-L429 WeakPolarHBondContact O-CB 3.12Å; I425-L429 VanDerWaalsContact O-CG 3.31Å; I425-L429 WeakPolarHBondContact O-CG 3.38Å; I425-L429 PolarHBondContact O-N 2.89Å |
| 426 | D | 97.8 | Very high | 96.6 | Very high | 64 Ų | 64 | 40.4 Ų | 40.4 | 34% | 0.342 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -57.9 | -45.7 | 177 | 173 | 73.5 | 0 | 0 | 0 | 111.6 | E422 E423 R430 | E422-D426 PolarHBondContact O-N 3.35Å; E423-D426 PolarHBondContact O-N 3.47Å; D426-R430 VanDerWaalsContact CG-NE 3.31Å; D426-R430 VanDerWaalsContact CG-NH2 3.28Å; D426-R430 WeakPolarHBondContact O-CB 3.27Å; D426-R430 VanDerWaalsContact O-CG 3.26Å; D426-R430 WeakPolarHBondContact O-CG 3.22Å; D426-R430 PolarHBondContact O-N 3.04Å; D426-R430 IonicContact OD1-CZ 2.82Å; D426-R430 VanDerWaalsContact OD1-CZ 3.3Å; D426-R430 IonicContact OD1-NE 2.89Å; D426-R430 PolarHBondContact OD1-NE 3.49Å; D426-R430 IonicContact OD1-NH2 3.74Å; D426-R430 PolarHBondContact OD1-NH2 3.35Å; D426-R430 IonicContact OD2-CZ 2.76Å; D426-R430 IonicContact OD2-NE 2.88Å; D426-R430 PolarHBondContact OD2-NE 3.46Å; D426-R430 IonicContact OD2-NH1 2.72Å; D426-R430 IonicContact OD2-NH2 3.86Å; D426-R430 PolarHBondContact OD2-NH2 2.92Å |
| 427 | L | 98.1 | Very high | 96.3 | Very high | 25 Ų | 25 | 38.3 Ų | 38.3 | 13% | 0.131 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 176.2 | -71.3 | 173.9 | 0 | 0 | 0 | 112.5 | L392 L393 I401 E423 L424 I425 G431 | L392-L427 HydrophobicContact CB-CD2 4.09Å; L393-L427 HydrophobicContact CD1-CB 4.28Å; L393-L427 HydrophobicContact CD1-CD1 4.34Å; L393-L427 HydrophobicContact CD2-CB 4.14Å; I401-L427 HydrophobicContact CD1-CD1 4.44Å; E423-L427 HydrophobicContact CG-CD1 4.39Å; E423-L427 WeakPolarHBondContact O-CG 3.36Å; E423-L427 PolarHBondContact O-N 3.39Å; L424-L427 PolarHBondContact O-N 3.42Å; I425-L427 VanDerWaalsContact C-N 3.34Å; I425-L427 PolarHBondContact O-N 2.99Å; L427-G431 PolarHBondContact O-N 3.4Å |
| 428 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.5 | -42.3 | -180 | 0 | 0 | 0 | 0 | 0 | 111.6 | I367 L368 F371 L393 L424 I425 G431 L432 | I367-A428 HydrophobicContact CG2-CB 3.93Å; L368-A428 HydrophobicContact CD1-CB 4.49Å; F371-A428 HydrophobicContact CB-CB 4.3Å; L393-A428 HydrophobicContact CD2-CB 4.04Å; L424-A428 VanDerWaalsContact O-CB 3.24Å; L424-A428 WeakPolarHBondContact O-CB 3.36Å; L424-A428 PolarHBondContact O-N 2.86Å; I425-A428 PolarHBondContact O-N 3.33Å; A428-G431 CarbonylContact O-C 3.5Å; A428-G431 PolarHBondContact O-N 3.29Å; A428-L432 VanDerWaalsContact O-CB 3.3Å; A428-L432 WeakPolarHBondContact O-CB 2.85Å; A428-L432 PolarHBondContact O-N 2.93Å |
| 429 | L | 96.4 | Very high | 95.7 | Very high | 46 Ų | 46 | 41.5 Ų | 41.5 | 24% | 0.241 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.5 | -41 | 176.7 | -69.4 | 176.4 | 0 | 0 | 0 | 112.2 | V341 I367 I425 G431 L432 S433 | V341-L429 HydrophobicContact CB-CD2 3.77Å; V341-L429 HydrophobicContact CG1-CD2 3.8Å; I367-L429 HydrophobicContact CG2-CD2 3.7Å; I367-L429 HydrophobicContact CG2-CG 3.95Å; I425-L429 HydrophobicContact CG2-CD1 3.71Å; I425-L429 HydrophobicContact CG2-CG 4.11Å; I425-L429 WeakPolarHBondContact O-CB 3.12Å; I425-L429 VanDerWaalsContact O-CG 3.31Å; I425-L429 WeakPolarHBondContact O-CG 3.38Å; I425-L429 PolarHBondContact O-N 2.89Å; L429-G431 VanDerWaalsContact C-N 3.34Å; L429-L432 PolarHBondContact O-N 3.23Å; L429-S433 WeakPolarHBondContact O-CB 3.45Å; L429-S433 PolarHBondContact O-N 3.38Å |
| 430 | R | 96.7 | Very high | 95.4 | Very high | 137 Ų | 137 | 42 Ų | 42 | 52% | 0.517 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 172.6 | -71.6 | 175.1 | -166.7 | -165.5 | 8.4 | 111.6 | F390 D426 S433 Y434 | F390-R430 HydrophobicContact CZ-CB 4.02Å; D426-R430 VanDerWaalsContact CG-NE 3.31Å; D426-R430 VanDerWaalsContact CG-NH2 3.28Å; D426-R430 WeakPolarHBondContact O-CB 3.27Å; D426-R430 VanDerWaalsContact O-CG 3.26Å; D426-R430 WeakPolarHBondContact O-CG 3.22Å; D426-R430 PolarHBondContact O-N 3.04Å; D426-R430 IonicContact OD1-CZ 2.82Å; D426-R430 VanDerWaalsContact OD1-CZ 3.3Å; D426-R430 IonicContact OD1-NE 2.89Å; D426-R430 PolarHBondContact OD1-NE 3.49Å; D426-R430 IonicContact OD1-NH2 3.74Å; D426-R430 PolarHBondContact OD1-NH2 3.35Å; D426-R430 IonicContact OD2-CZ 2.76Å; D426-R430 IonicContact OD2-NE 2.88Å; D426-R430 PolarHBondContact OD2-NE 3.46Å; D426-R430 IonicContact OD2-NH1 2.72Å; D426-R430 IonicContact OD2-NH2 3.86Å; D426-R430 PolarHBondContact OD2-NH2 2.92Å; R430-S433 PolarHBondContact O-N 3.46Å; R430-Y434 PolarHBondContact O-N 2.92Å |
| 431 | G | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.4 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L427 A428 L429 Y434 Y435 | L427-G431 PolarHBondContact O-N 3.4Å; A428-G431 CarbonylContact O-C 3.5Å; A428-G431 PolarHBondContact O-N 3.29Å; L429-G431 VanDerWaalsContact C-N 3.34Å; G431-Y434 WeakPolarHBondContact O-CB 3.46Å; G431-Y434 PolarHBondContact O-N 3.11Å; G431-Y435 WeakPolarHBondContact O-CD2 3.33Å; G431-Y435 PolarHBondContact O-N 2.84Å; G431-Y435 VanDerWaalsContact O-N 3.1Å |
| 432 | L | 94 | Very high | 94.9 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 5% | 0.052 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.6 | -49.9 | 175.9 | -175.2 | 60.7 | 0 | 0 | 0 | 109.7 | V29 Q370 K374 A428 L429 Y434 Y435 H436 | V29-L432 HydrophobicContact CG2-CD1 4.12Å; Q370-L432 HydrophobicContact CB-CD1 4.31Å; Q370-L432 HydrophobicContact CB-CD2 4.07Å; K374-L432 HydrophobicContact CB-CD1 3.78Å; K374-L432 HydrophobicContact CG-CD1 4.02Å; A428-L432 VanDerWaalsContact O-CB 3.3Å; A428-L432 WeakPolarHBondContact O-CB 2.85Å; A428-L432 PolarHBondContact O-N 2.93Å; L429-L432 PolarHBondContact O-N 3.23Å; L432-Y434 VanDerWaalsContact C-N 3.28Å; L432-Y434 PolarHBondContact O-N 2.73Å; L432-Y435 PolarHBondContact O-N 2.85Å; L432-H436 PolarHBondContact O-CD2 3.32Å; L432-H436 VanDerWaalsContact O-CD2 3.24Å; L432-H436 PolarHBondContact O-N 3.5Å |
| 433 | S | 92.4 | Very high | 94.7 | Very high | 69 Ų | 69 | 47 Ų | 47 | 48% | 0.483 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -55.7 | -41.4 | 174.4 | -178 | 0 | 0 | 0 | 0 | 112.5 | L429 R430 Y435 H436 T437 | L429-S433 WeakPolarHBondContact O-CB 3.45Å; L429-S433 PolarHBondContact O-N 3.38Å; R430-S433 PolarHBondContact O-N 3.46Å; S433-Y435 PolarHBondContact O-N 3.19Å; S433-H436 PolarHBondContact O-N 2.85Å; S433-T437 PolarHBondContact O-N 2.82Å; S433-T437 PolarHBondContact O-OG1 3.27Å |
| 434 | Y | 94.6 | Very high | 94.5 | Very high | 72 Ų | 72 | 42.8 Ų | 42.8 | 28% | 0.282 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -57.7 | -45.3 | 174.4 | 173.2 | -99.3 | 0 | 0 | 0 | 112.4 | T388 F390 R430 G431 L432 T437 Y438 | T388-Y434 PolarHBondContact O-OH 3.04Å; T388-Y434 VanDerWaalsContact O-OH 3.1Å; F390-Y434 HydrophobicContact CB-CD1 3.89Å; F390-Y434 HydrophobicContact CB-CE1 4.25Å; F390-Y434 HydrophobicContact CD2-CD1 4.1Å; F390-Y434 HydrophobicContact CD2-CD2 4.41Å; F390-Y434 AromaticContact CD2-CG 3.9Å; F390-Y434 HydrophobicContact CD2-CG 3.9Å; F390-Y434 HydrophobicContact CG-CD1 4.42Å; R430-Y434 PolarHBondContact O-N 2.92Å; G431-Y434 WeakPolarHBondContact O-CB 3.46Å; G431-Y434 PolarHBondContact O-N 3.11Å; L432-Y434 VanDerWaalsContact C-N 3.28Å; L432-Y434 PolarHBondContact O-N 2.73Å; Y434-T437 CarbonylContact O-C 3.51Å; Y434-T437 PolarHBondContact O-N 3.42Å; Y434-Y438 HydrophobicContact CD1-CD2 4.35Å; Y434-Y438 AromaticContact CE1-CD2 3.71Å; Y434-Y438 HydrophobicContact CE1-CD2 3.71Å; Y434-Y438 AromaticContact CE1-CE2 3.78Å; Y434-Y438 HydrophobicContact CE1-CE2 3.78Å; Y434-Y438 AromaticContact CZ-CD2 3.89Å; Y434-Y438 AromaticContact CZ-CE2 3.81Å; Y434-Y438 WeakPolarHBondContact O-CA 3.49Å; Y434-Y438 PolarHBondContact O-N 2.83Å; Y434-Y438 VanDerWaalsContact O-N 3.07Å; Y434-Y438 WeakPolarHBondContact OH-CE2 2.96Å |
| 435 | Y | 94.3 | Very high | 94.4 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -78.1 | -27.8 | 179.7 | -65.5 | -58.5 | 0 | 0 | 0 | 114.2 | F371 M375 K378 F387 F390 G431 L432 S433 T437 Y438 | F371-Y435 HydrophobicContact CD2-CD2 4.18Å; F371-Y435 HydrophobicContact CD2-CE2 4.03Å; F371-Y435 HydrophobicContact CE2-CD2 4Å; F371-Y435 AromaticContact CE2-CE2 3.43Å; F371-Y435 HydrophobicContact CE2-CE2 3.43Å; F371-Y435 VanDerWaalsContact CE2-CE2 3.43Å; F371-Y435 AromaticContact CZ-CE2 3.98Å; F371-Y435 HydrophobicContact CZ-CE2 3.98Å; M375-Y435 HydrophobicContact CB-CD2 3.99Å; M375-Y435 HydrophobicContact CB-CE2 3.5Å; M375-Y435 HydrophobicContact CE-CE2 4.29Å; M375-Y435 HydrophobicContact CG-CE1 4.28Å; M375-Y435 HydrophobicContact CG-CE2 3.78Å; M375-Y435 WeakPolarHBondContact CG-OH 3.31Å; K378-Y435 HydrophobicContact CB-CD1 4.33Å; K378-Y435 HydrophobicContact CG-CD1 4.41Å; F387-Y435 HydrophobicContact CE2-CE1 4.02Å; F387-Y435 HydrophobicContact CZ-CE1 4.04Å; F390-Y435 HydrophobicContact CB-CE2 4.13Å; F390-Y435 PolarHBondContact N-OH 2.83Å; G431-Y435 WeakPolarHBondContact O-CD2 3.33Å; G431-Y435 PolarHBondContact O-N 2.84Å; G431-Y435 VanDerWaalsContact O-N 3.1Å; L432-Y435 PolarHBondContact O-N 2.85Å; S433-Y435 PolarHBondContact O-N 3.19Å; Y435-T437 VanDerWaalsContact C-N 3.33Å; Y435-Y438 HydrophobicContact CD1-CD2 4.01Å; Y435-Y438 HydrophobicContact CE1-CD2 4.44Å |
| 436 | H | 89.3 | Confident | 94.2 | Very high | 28 Ų | 28 | 48.6 Ų | 48.6 | 13% | 0.13 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.2 | -37.3 | 170 | -83.9 | -86.6 | 0 | 0 | 0 | 111.8 | S26 P27 L432 S433 | S26-H436 PolarHBondContact O-CE1 3.45Å; S26-H436 PolarHBondContact O-ND1 2.86Å; S26-H436 VanDerWaalsContact O-ND1 3.13Å; P27-H436 PolarHBondContact O-CE1 2.58Å; L432-H436 PolarHBondContact O-CD2 3.32Å; L432-H436 VanDerWaalsContact O-CD2 3.24Å; L432-H436 PolarHBondContact O-N 3.5Å; S433-H436 PolarHBondContact O-N 2.85Å |
| 437 | T | 91 | Very high | 94.1 | Very high | 49 Ų | 49 | 46.2 Ų | 46.2 | 30% | 0.301 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -98.1 | 12.4 | -177.6 | 60 | 0 | 0 | 0 | 0 | 113.7 | S433 Y434 Y435 D439 R440 | S433-T437 PolarHBondContact O-N 2.82Å; S433-T437 PolarHBondContact O-OG1 3.27Å; Y434-T437 CarbonylContact O-C 3.51Å; Y434-T437 PolarHBondContact O-N 3.42Å; Y435-T437 VanDerWaalsContact C-N 3.33Å; T437-D439 VanDerWaalsContact C-N 3.32Å; T437-D439 PolarHBondContact O-N 3.24Å; T437-R440 WeakPolarHBondContact O-CB 3.19Å; T437-R440 PolarHBondContact O-N 3.05Å |
| 438 | Y | 92.5 | Very high | 94 | Very high | 44 Ų | 44 | 47.5 Ų | 47.5 | 17% | 0.173 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -40.6 | -170.6 | -166.6 | -83.2 | 0 | 0 | 0 | 113.4 | K378 L386 T388 Y434 Y435 | K378-Y438 HydrophobicContact CD-CD1 4.19Å; K378-Y438 HydrophobicContact CD-CG 4.34Å; K378-Y438 HydrophobicContact CG-CD1 4.18Å; K378-Y438 HydrophobicContact CG-CD2 4.29Å; K378-Y438 HydrophobicContact CG-CG 4.01Å; L386-Y438 PolarHBondContact O-OH 3.33Å; T388-Y438 PolarHBondContact N-OH 3.22Å; T388-Y438 WeakPolarHBondContact O-CE2 3.35Å; Y434-Y438 HydrophobicContact CD1-CD2 4.35Å; Y434-Y438 AromaticContact CE1-CD2 3.71Å; Y434-Y438 HydrophobicContact CE1-CD2 3.71Å; Y434-Y438 AromaticContact CE1-CE2 3.78Å; Y434-Y438 HydrophobicContact CE1-CE2 3.78Å; Y434-Y438 AromaticContact CZ-CD2 3.89Å; Y434-Y438 AromaticContact CZ-CE2 3.81Å; Y434-Y438 WeakPolarHBondContact O-CA 3.49Å; Y434-Y438 PolarHBondContact O-N 2.83Å; Y434-Y438 VanDerWaalsContact O-N 3.07Å; Y434-Y438 WeakPolarHBondContact OH-CE2 2.96Å; Y435-Y438 HydrophobicContact CD1-CD2 4.01Å; Y435-Y438 HydrophobicContact CE1-CD2 4.44Å |
| 439 | D | 91.3 | Very high | 94 | Very high | 40 Ų | 40 | 50.4 Ų | 50.4 | 21% | 0.214 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4.7 | -177.5 | -63.5 | -42.2 | 0 | 0 | 0 | 113.7 | K378 T437 L441 F442 L443 Y508 | K378-D439 WeakPolarHBondContact CE-OD1 3.19Å; K378-D439 IonicContact NZ-OD1 2.97Å; K378-D439 PolarHBondContact NZ-OD1 2.85Å; K378-D439 IonicContact NZ-OD2 3.74Å; K378-D439 PolarHBondContact NZ-OD2 3.49Å; T437-D439 VanDerWaalsContact C-N 3.32Å; T437-D439 PolarHBondContact O-N 3.24Å; D439-L441 VanDerWaalsContact C-N 3.34Å; D439-L441 PolarHBondContact O-N 2.88Å; D439-F442 PolarHBondContact O-N 3.27Å; D439-F442 VanDerWaalsContact O-N 3.13Å; D439-L443 PolarHBondContact O-N 3.44Å; D439-Y508 HydrophobicContact CB-CE2 4.1Å; D439-Y508 VanDerWaalsContact CB-OH 3.26Å; D439-Y508 WeakPolarHBondContact CB-OH 3.48Å; D439-Y508 PolarHBondContact OD2-OH 3.01Å |
| 440 | R | 91.9 | Very high | 93.9 | Very high | 83 Ų | 83 | 48.2 Ų | 48.2 | 31% | 0.313 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.2 | -44.9 | -173 | -174.9 | 177.7 | 177 | 166.5 | 4.6 | 112.3 | I22 Y23 T437 G444 E814 | I22-R440 HydrophobicContact CG2-CB 4.49Å; I22-R440 HydrophobicContact CG2-CG 3.67Å; Y23-R440 HydrophobicContact CD1-CG 4.48Å; Y23-R440 HydrophobicContact CE1-CG 4.34Å; Y23-R440 VanDerWaalsContact CE1-CZ 3.46Å; T437-R440 WeakPolarHBondContact O-CB 3.19Å; T437-R440 PolarHBondContact O-N 3.05Å; R440-G444 WeakPolarHBondContact O-CA 3.29Å; R440-G444 PolarHBondContact O-N 3.15Å; R440-E814 IonicContact CZ-OE1 3.66Å; R440-E814 IonicContact CZ-OE2 3.43Å; R440-E814 IonicContact NE-OE1 3.51Å; R440-E814 IonicContact NH1-OE1 3.48Å; R440-E814 PolarHBondContact NH1-OE1 3.1Å; R440-E814 IonicContact NH1-OE2 3.33Å; R440-E814 PolarHBondContact NH1-OE2 2.83Å; R440-E814 VanDerWaalsContact NH2-CD 3.35Å; R440-E814 IonicContact NH2-OE1 3.68Å; R440-E814 PolarHBondContact NH2-OE1 3.29Å; R440-E814 IonicContact NH2-OE2 3.71Å |
| 441 | L | 92.6 | Very high | 93.8 | Very high | 130 Ų | 130 | 45.4 Ų | 45.4 | 68% | 0.681 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -66.8 | -44.3 | 178.3 | -178.8 | 64.4 | 0 | 0 | 0 | 111.5 | D439 G444 I445 | D439-L441 VanDerWaalsContact C-N 3.34Å; D439-L441 PolarHBondContact O-N 2.88Å; L441-G444 PolarHBondContact O-N 2.83Å; L441-I445 HydrophobicContact CD1-CD1 4.07Å; L441-I445 HydrophobicContact CD1-CG1 4.32Å; L441-I445 HydrophobicContact CG-CD1 3.99Å; L441-I445 VanDerWaalsContact O-CG1 3.28Å; L441-I445 WeakPolarHBondContact O-CG1 3.15Å; L441-I445 PolarHBondContact O-N 3.46Å |
| 442 | F | 93.3 | Very high | 93.9 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 31% | 0.307 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.8 | -51.3 | 179.7 | 167.5 | -106.3 | 0 | 0 | 0 | 111.5 | D439 I445 N446 F498 L499 Y508 | D439-F442 PolarHBondContact O-N 3.27Å; D439-F442 VanDerWaalsContact O-N 3.13Å; F442-I445 PolarHBondContact O-N 3.46Å; F442-N446 WeakPolarHBondContact CE2-ND2 3.43Å; F442-N446 PolarHBondContact O-N 3.46Å; F442-N446 PolarHBondContact O-ND2 3.3Å; F442-F498 HydrophobicContact CE2-CE1 4.29Å; F442-F498 HydrophobicContact CZ-CE1 4.13Å; F442-L499 HydrophobicContact CE1-CD2 4.42Å; F442-L499 HydrophobicContact CZ-CD2 4.39Å; F442-Y508 HydrophobicContact CE1-CD2 4.46Å |
| 443 | L | 93.7 | Very high | 94 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 176.9 | -68.4 | -179.8 | 0 | 0 | 0 | 111.9 | I22 D439 I445 N446 V447 Y508 Y511 | I22-L443 HydrophobicContact CD1-CB 3.83Å; I22-L443 HydrophobicContact CG1-CB 3.59Å; I22-L443 HydrophobicContact CG1-CD1 3.84Å; I22-L443 HydrophobicContact CG1-CG 4.41Å; D439-L443 PolarHBondContact O-N 3.44Å; L443-I445 VanDerWaalsContact C-N 3.31Å; L443-I445 PolarHBondContact O-N 3.25Å; L443-N446 PolarHBondContact O-N 2.91Å; L443-N446 VanDerWaalsContact O-N 3.14Å; L443-V447 WeakPolarHBondContact O-CG2 3.48Å; L443-V447 PolarHBondContact O-N 3.39Å; L443-Y508 HydrophobicContact CD1-CD1 4.34Å; L443-Y508 HydrophobicContact CD1-CE1 3.68Å; L443-Y508 HydrophobicContact CD1-CE2 4.22Å; L443-Y508 HydrophobicContact CD2-CD1 4.06Å; L443-Y508 HydrophobicContact CD2-CD2 3.84Å; L443-Y508 HydrophobicContact CD2-CE1 4.16Å; L443-Y508 HydrophobicContact CD2-CE2 3.94Å; L443-Y508 HydrophobicContact CD2-CG 3.89Å; L443-Y508 HydrophobicContact CG-CE1 4.4Å; L443-Y508 HydrophobicContact CG-CE2 4.2Å; L443-Y511 HydrophobicContact CD2-CD2 4.26Å |
| 444 | G | 94.4 | Very high | 94.1 | Very high | 22 Ų | 22 | 45.7 Ų | 45.7 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R440 L441 A448 | R440-G444 WeakPolarHBondContact O-CA 3.29Å; R440-G444 PolarHBondContact O-N 3.15Å; L441-G444 PolarHBondContact O-N 2.83Å; G444-A448 WeakPolarHBondContact O-CB 3.48Å; G444-A448 PolarHBondContact O-N 2.95Å |
| 445 | I | 95.6 | Very high | 94.1 | Very high | 93 Ų | 93 | 47.1 Ų | 47.1 | 48% | 0.477 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.4 | -47 | 174.8 | -69.4 | 165.8 | 0 | 0 | 0 | 110.8 | L441 F442 L443 V447 A448 V449 | L441-I445 HydrophobicContact CD1-CD1 4.07Å; L441-I445 HydrophobicContact CD1-CG1 4.32Å; L441-I445 HydrophobicContact CG-CD1 3.99Å; L441-I445 VanDerWaalsContact O-CG1 3.28Å; L441-I445 WeakPolarHBondContact O-CG1 3.15Å; L441-I445 PolarHBondContact O-N 3.46Å; F442-I445 PolarHBondContact O-N 3.46Å; L443-I445 VanDerWaalsContact C-N 3.31Å; L443-I445 PolarHBondContact O-N 3.25Å; I445-V447 PolarHBondContact O-N 3.34Å; I445-A448 PolarHBondContact O-N 3.17Å; I445-V449 HydrophobicContact CG2-CG2 4.23Å; I445-V449 WeakPolarHBondContact O-CB 3.46Å; I445-V449 VanDerWaalsContact O-CG2 3.23Å; I445-V449 WeakPolarHBondContact O-CG2 3.29Å; I445-V449 PolarHBondContact O-N 2.96Å |
| 446 | N | 95.8 | Very high | 94 | Very high | 32 Ų | 32 | 48.6 Ų | 48.6 | 17% | 0.171 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.2 | -46.1 | -179.9 | -80.1 | -81.3 | 0 | 0 | 0 | 112.1 | F442 L443 V449 G450 P515 | F442-N446 WeakPolarHBondContact CE2-ND2 3.43Å; F442-N446 PolarHBondContact O-N 3.46Å; F442-N446 PolarHBondContact O-ND2 3.3Å; L443-N446 PolarHBondContact O-N 2.91Å; L443-N446 VanDerWaalsContact O-N 3.14Å; N446-V449 PolarHBondContact O-N 3.04Å; N446-G450 PolarHBondContact O-N 3.4Å; N446-P515 WeakPolarHBondContact O-CG 3.36Å |
| 447 | V | 95.3 | Very high | 94.2 | Very high | 14 Ų | 14 | 49 Ų | 49 | 9% | 0.085 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 177.5 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | F15 I22 L443 I445 V449 G450 F451 Y511 | F15-V447 HydrophobicContact CD1-CG1 4.02Å; I22-V447 HydrophobicContact CD1-CB 4.43Å; I22-V447 HydrophobicContact CD1-CG2 3.92Å; L443-V447 WeakPolarHBondContact O-CG2 3.48Å; L443-V447 PolarHBondContact O-N 3.39Å; I445-V447 PolarHBondContact O-N 3.34Å; V447-V449 PolarHBondContact O-N 2.88Å; V447-G450 CarbonylContact O-C 3.47Å; V447-G450 WeakPolarHBondContact O-CA 3.45Å; V447-G450 PolarHBondContact O-N 2.76Å; V447-G450 VanDerWaalsContact O-N 3.14Å; V447-F451 HydrophobicContact CG1-CD2 3.79Å; V447-F451 HydrophobicContact CG1-CE2 3.84Å; V447-F451 WeakPolarHBondContact O-CD2 3.42Å; V447-F451 PolarHBondContact O-N 2.88Å; V447-Y511 HydrophobicContact CG2-CG 4.48Å |
| 448 | A | 95.5 | Very high | 94.2 | Very high | 51 Ų | 51 | 48 Ų | 48 | 42% | 0.421 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G444 I445 G450 F451 V452 | G444-A448 WeakPolarHBondContact O-CB 3.48Å; G444-A448 PolarHBondContact O-N 2.95Å; I445-A448 PolarHBondContact O-N 3.17Å; A448-G450 VanDerWaalsContact C-N 3.27Å; A448-G450 PolarHBondContact O-N 2.75Å; A448-F451 PolarHBondContact O-N 3.17Å; A448-V452 WeakPolarHBondContact O-CG2 3.47Å; A448-V452 PolarHBondContact O-N 2.74Å |
| 449 | V | 96.8 | Very high | 94 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 37% | 0.37 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62 | -36.8 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | I445 N446 V447 G453 P515 W519 | I445-V449 HydrophobicContact CG2-CG2 4.23Å; I445-V449 WeakPolarHBondContact O-CB 3.46Å; I445-V449 VanDerWaalsContact O-CG2 3.23Å; I445-V449 WeakPolarHBondContact O-CG2 3.29Å; I445-V449 PolarHBondContact O-N 2.96Å; N446-V449 PolarHBondContact O-N 3.04Å; V447-V449 PolarHBondContact O-N 2.88Å; V449-G453 PolarHBondContact O-N 2.67Å; V449-P515 HydrophobicContact CG1-CB 4.11Å; V449-W519 VanDerWaalsContact CG1-NE1 3.3Å; V449-W519 PolarHBondContact O-NE1 3.24Å |
| 450 | G | 96 | Very high | 93.9 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.3 | -48.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F15 N446 V447 A448 G453 W454 | F15-G450 VanDerWaalsContact CZ-C 3.46Å; N446-G450 PolarHBondContact O-N 3.4Å; V447-G450 CarbonylContact O-C 3.47Å; V447-G450 WeakPolarHBondContact O-CA 3.45Å; V447-G450 PolarHBondContact O-N 2.76Å; V447-G450 VanDerWaalsContact O-N 3.14Å; A448-G450 VanDerWaalsContact C-N 3.27Å; A448-G450 PolarHBondContact O-N 2.75Å; G450-G453 PolarHBondContact O-N 3.18Å; G450-W454 WeakPolarHBondContact O-CB 3.27Å; G450-W454 PolarHBondContact O-N 3.42Å |
| 451 | F | 94.8 | Very high | 93.6 | Very high | 77 Ų | 77 | 45.3 Ų | 45.3 | 34% | 0.338 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.8 | -49.6 | 176.2 | -94.5 | -71.5 | 0 | 0 | 0 | 111.7 | F15 V447 A448 G453 W454 M455 | F15-F451 HydrophobicContact CB-CD2 4.5Å; F15-F451 HydrophobicContact CB-CE1 4.25Å; F15-F451 HydrophobicContact CB-CE2 3.56Å; F15-F451 HydrophobicContact CB-CZ 3.41Å; F15-F451 VanDerWaalsContact CB-CZ 3.41Å; F15-F451 HydrophobicContact CD1-CD2 4.06Å; F15-F451 AromaticContact CD1-CE2 3.91Å; F15-F451 HydrophobicContact CD1-CE2 3.91Å; F15-F451 HydrophobicContact CD1-CZ 4.36Å; F15-F451 AromaticContact CD2-CD1 3.66Å; F15-F451 HydrophobicContact CD2-CD1 3.66Å; F15-F451 HydrophobicContact CD2-CD2 4.03Å; F15-F451 AromaticContact CD2-CE1 3.3Å; F15-F451 HydrophobicContact CD2-CE1 3.3Å; F15-F451 AromaticContact CD2-CE2 3.72Å; F15-F451 HydrophobicContact CD2-CE2 3.72Å; F15-F451 HydrophobicContact CD2-CG 4.01Å; F15-F451 AromaticContact CD2-CZ 3.35Å; F15-F451 HydrophobicContact CD2-CZ 3.35Å; F15-F451 HydrophobicContact CE1-CD2 4.25Å; F15-F451 HydrophobicContact CE1-CG 4.49Å; F15-F451 AromaticContact CE2-CD1 3.62Å; F15-F451 HydrophobicContact CE2-CD1 3.62Å; F15-F451 HydrophobicContact CE2-CD2 4.21Å; F15-F451 AromaticContact CE2-CE1 3.78Å; F15-F451 HydrophobicContact CE2-CE1 3.78Å; F15-F451 HydrophobicContact CE2-CE2 4.36Å; F15-F451 AromaticContact CE2-CG 3.86Å; F15-F451 HydrophobicContact CE2-CG 3.86Å; F15-F451 HydrophobicContact CE2-CZ 4.16Å; F15-F451 HydrophobicContact CG-CD1 4.39Å; F15-F451 AromaticContact CG-CD2 3.96Å; F15-F451 HydrophobicContact CG-CD2 3.96Å; F15-F451 AromaticContact CG-CE1 3.95Å; F15-F451 HydrophobicContact CG-CE1 3.95Å; F15-F451 AromaticContact CG-CE2 3.46Å; F15-F451 HydrophobicContact CG-CE2 3.46Å; F15-F451 VanDerWaalsContact CG-CE2 3.46Å; F15-F451 HydrophobicContact CG-CG 4.4Å; F15-F451 AromaticContact CG-CZ 3.47Å; F15-F451 HydrophobicContact CG-CZ 3.47Å; F15-F451 VanDerWaalsContact CG-CZ 3.47Å; F15-F451 HydrophobicContact CZ-CD1 4.35Å; F15-F451 HydrophobicContact CZ-CD2 4.34Å; F15-F451 HydrophobicContact CZ-CG 4.13Å; V447-F451 HydrophobicContact CG1-CD2 3.79Å; V447-F451 HydrophobicContact CG1-CE2 3.84Å; V447-F451 WeakPolarHBondContact O-CD2 3.42Å; V447-F451 PolarHBondContact O-N 2.88Å; A448-F451 PolarHBondContact O-N 3.17Å; F451-G453 VanDerWaalsContact C-N 3.31Å; F451-G453 PolarHBondContact O-N 3.2Å; F451-W454 PolarHBondContact O-N 2.95Å; F451-M455 HydrophobicContact CB-CE 4.49Å; F451-M455 WeakPolarHBondContact O-CB 3.36Å; F451-M455 WeakPolarHBondContact O-CG 3.32Å; F451-M455 PolarHBondContact O-N 3.26Å |
| 452 | V | 96.2 | Very high | 93.3 | Very high | 70 Ų | 70 | 43.1 Ų | 43.1 | 42% | 0.424 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 177.9 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | A448 M455 S456 W519 | A448-V452 WeakPolarHBondContact O-CG2 3.47Å; A448-V452 PolarHBondContact O-N 2.74Å; V452-M455 HydrophobicContact CG2-CE 4.26Å; V452-S456 VanDerWaalsContact O-CB 3.3Å; V452-S456 WeakPolarHBondContact O-CB 3.31Å; V452-S456 PolarHBondContact O-N 3.28Å; V452-S456 PolarHBondContact O-OG 2.7Å; V452-W519 HydrophobicContact CB-CZ2 4.46Å; V452-W519 HydrophobicContact CG1-CH2 4.26Å; V452-W519 HydrophobicContact CG1-CZ2 3.97Å |
| 453 | G | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V449 G450 F451 S456 Y457 I518 V522 | V449-G453 PolarHBondContact O-N 2.67Å; G450-G453 PolarHBondContact O-N 3.18Å; F451-G453 VanDerWaalsContact C-N 3.31Å; F451-G453 PolarHBondContact O-N 3.2Å; G453-S456 PolarHBondContact O-N 2.88Å; G453-Y457 WeakPolarHBondContact O-CB 3.38Å; G453-Y457 PolarHBondContact O-N 3.21Å; G453-I518 WeakPolarHBondContact O-CG2 3.34Å; G453-V522 WeakPolarHBondContact O-CG2 3.47Å |
| 454 | W | 95.4 | Very high | 92.2 | Very high | 16 Ų | 16 | 46 Ų | 46 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.3 | -44.3 | -179.9 | 179.9 | -108.1 | 0 | 0 | 0 | 111.8 | F4 L7 I11 H12 F15 G450 F451 S456 Y457 T458 I518 | F4-W454 HydrophobicContact CD2-CH2 4.08Å; F4-W454 AromaticContact CE2-CH2 3.62Å; F4-W454 HydrophobicContact CE2-CH2 3.62Å; F4-W454 HydrophobicContact CE2-CZ2 4.08Å; F4-W454 HydrophobicContact CE2-CZ3 4.36Å; F4-W454 HydrophobicContact CZ-CH2 4.17Å; F4-W454 HydrophobicContact CZ-CZ2 4.15Å; L7-W454 HydrophobicContact CD2-CZ3 4.43Å; I11-W454 HydrophobicContact CD1-CD2 3.93Å; I11-W454 HydrophobicContact CD1-CE3 3.31Å; I11-W454 HydrophobicContact CD1-CH2 3.98Å; I11-W454 HydrophobicContact CD1-CZ3 3.34Å; I11-W454 HydrophobicContact CG2-CD2 4.25Å; I11-W454 HydrophobicContact CG2-CG 4.18Å; H12-W454 AromaticContact CE1-CD1 3.73Å; H12-W454 AromaticContact CE1-NE1 3.34Å; H12-W454 PolarHBondContact CE1-NE1 3.41Å; H12-W454 VanDerWaalsContact CE1-NE1 3.34Å; F15-W454 HydrophobicContact CE2-CB 4.47Å; G450-W454 WeakPolarHBondContact O-CB 3.27Å; G450-W454 PolarHBondContact O-N 3.42Å; F451-W454 PolarHBondContact O-N 2.95Å; W454-S456 VanDerWaalsContact C-N 3.3Å; W454-S456 PolarHBondContact O-N 3.46Å; W454-Y457 HydrophobicContact CE3-CD1 4.16Å; W454-Y457 AromaticContact CZ3-CD1 3.85Å; W454-Y457 HydrophobicContact CZ3-CD1 3.85Å; W454-Y457 HydrophobicContact CZ3-CE1 4.29Å; W454-Y457 PolarHBondContact O-N 2.92Å; W454-T458 HydrophobicContact CD2-CG2 4.04Å; W454-T458 HydrophobicContact CG-CG2 4.47Å; W454-T458 HydrophobicContact CH2-CG2 4.32Å; W454-T458 HydrophobicContact CZ2-CG2 3.68Å; W454-T458 WeakPolarHBondContact O-CB 3.11Å; W454-T458 WeakPolarHBondContact O-CG2 3.35Å; W454-T458 PolarHBondContact O-N 3.18Å; W454-T458 PolarHBondContact O-OG1 2.79Å; W454-I518 HydrophobicContact CB-CD1 4.47Å; W454-I518 HydrophobicContact CB-CG2 4.49Å |
| 455 | M | 93.6 | Very high | 91.5 | Very high | 101 Ų | 101 | 48.2 Ų | 48.2 | 50% | 0.498 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 173.6 | -72 | -172.7 | -65.7 | 0 | 0 | 111.6 | F451 V452 T458 S459 | F451-M455 HydrophobicContact CB-CE 4.49Å; F451-M455 WeakPolarHBondContact O-CB 3.36Å; F451-M455 WeakPolarHBondContact O-CG 3.32Å; F451-M455 PolarHBondContact O-N 3.26Å; V452-M455 HydrophobicContact CG2-CE 4.26Å; M455-T458 WeakPolarHBondContact CA-OG1 3.18Å; M455-T458 PolarHBondContact O-OG1 3.36Å; M455-S459 VanDerWaalsContact O-CB 3.26Å; M455-S459 WeakPolarHBondContact O-CB 3.42Å; M455-S459 PolarHBondContact O-N 3.45Å; M455-S459 PolarHBondContact O-OG 3.14Å |
| 456 | S | 94 | Very high | 90.7 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 26% | 0.259 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.4 | -47.2 | 176.1 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | V452 G453 W454 S459 L460 | V452-S456 VanDerWaalsContact O-CB 3.3Å; V452-S456 WeakPolarHBondContact O-CB 3.31Å; V452-S456 PolarHBondContact O-N 3.28Å; V452-S456 PolarHBondContact O-OG 2.7Å; G453-S456 PolarHBondContact O-N 2.88Å; W454-S456 VanDerWaalsContact C-N 3.3Å; W454-S456 PolarHBondContact O-N 3.46Å; S456-S459 PolarHBondContact O-N 3.37Å; S456-L460 WeakPolarHBondContact O-CG 3.45Å; S456-L460 PolarHBondContact O-N 3.41Å |
| 457 | Y | 92.6 | Very high | 89.6 | Confident | 37 Ų | 37 | 46.5 Ų | 46.5 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 179.9 | -178.6 | -120.7 | 0 | 0 | 0 | 112.3 | F4 G453 W454 S459 L460 L461 A521 | F4-Y457 HydrophobicContact CD2-CE1 4.43Å; F4-Y457 HydrophobicContact CE2-CD1 4.34Å; F4-Y457 HydrophobicContact CE2-CE1 4.08Å; G453-Y457 WeakPolarHBondContact O-CB 3.38Å; G453-Y457 PolarHBondContact O-N 3.21Å; W454-Y457 HydrophobicContact CE3-CD1 4.16Å; W454-Y457 AromaticContact CZ3-CD1 3.85Å; W454-Y457 HydrophobicContact CZ3-CD1 3.85Å; W454-Y457 HydrophobicContact CZ3-CE1 4.29Å; W454-Y457 PolarHBondContact O-N 2.92Å; Y457-S459 VanDerWaalsContact C-N 3.35Å; Y457-S459 PolarHBondContact O-N 3.33Å; Y457-L460 PolarHBondContact O-N 3.38Å; Y457-L461 HydrophobicContact CD1-CD1 4.07Å; Y457-L461 HydrophobicContact CE1-CD1 3.56Å; Y457-L461 HydrophobicContact CE1-CG 4.37Å; Y457-L461 HydrophobicContact CE2-CD1 4.17Å; Y457-L461 HydrophobicContact CE2-CD2 4.29Å; Y457-L461 HydrophobicContact CE2-CG 4.12Å; Y457-L461 WeakPolarHBondContact O-CG 3.35Å; Y457-L461 PolarHBondContact O-N 3.49Å; Y457-A521 HydrophobicContact CD2-CB 3.75Å; Y457-A521 HydrophobicContact CE2-CB 3.57Å; Y457-A521 HydrophobicContact CG-CB 4.38Å |
| 458 | T | 91 | Very high | 88.2 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 17% | 0.172 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | F4 W454 M455 L461 I462 | F4-T458 HydrophobicContact CE2-CG2 4.09Å; F4-T458 HydrophobicContact CZ-CG2 3.54Å; W454-T458 HydrophobicContact CD2-CG2 4.04Å; W454-T458 HydrophobicContact CG-CG2 4.47Å; W454-T458 HydrophobicContact CH2-CG2 4.32Å; W454-T458 HydrophobicContact CZ2-CG2 3.68Å; W454-T458 WeakPolarHBondContact O-CB 3.11Å; W454-T458 WeakPolarHBondContact O-CG2 3.35Å; W454-T458 PolarHBondContact O-N 3.18Å; W454-T458 PolarHBondContact O-OG1 2.79Å; M455-T458 WeakPolarHBondContact CA-OG1 3.18Å; M455-T458 PolarHBondContact O-OG1 3.36Å; T458-L461 PolarHBondContact O-N 3.43Å; T458-I462 VanDerWaalsContact O-CG1 3.3Å; T458-I462 WeakPolarHBondContact O-CG1 3.31Å; T458-I462 PolarHBondContact O-N 3.34Å |
| 459 | S | 88.2 | Confident | 86.7 | Confident | 59 Ų | 59 | 50.6 Ų | 50.6 | 41% | 0.413 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 174.7 | -60.4 | 0 | 0 | 0 | 0 | 112 | M455 S456 Y457 L461 I462 I463 | M455-S459 VanDerWaalsContact O-CB 3.26Å; M455-S459 WeakPolarHBondContact O-CB 3.42Å; M455-S459 PolarHBondContact O-N 3.45Å; M455-S459 PolarHBondContact O-OG 3.14Å; S456-S459 PolarHBondContact O-N 3.37Å; Y457-S459 VanDerWaalsContact C-N 3.35Å; Y457-S459 PolarHBondContact O-N 3.33Å; S459-L461 PolarHBondContact O-N 3.29Å; S459-I462 PolarHBondContact O-N 3.33Å; S459-I463 WeakPolarHBondContact O-CB 3.42Å; S459-I463 WeakPolarHBondContact O-CD1 3.39Å; S459-I463 VanDerWaalsContact O-CG1 3.24Å; S459-I463 WeakPolarHBondContact O-CG1 3.38Å; S459-I463 PolarHBondContact O-N 3.2Å |
| 460 | L | 88.7 | Confident | 84.8 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 177.8 | -71.3 | 172.5 | 0 | 0 | 0 | 112.2 | S456 Y457 I463 K464 V522 E525 V528 I529 | S456-L460 WeakPolarHBondContact O-CG 3.45Å; S456-L460 PolarHBondContact O-N 3.41Å; Y457-L460 PolarHBondContact O-N 3.38Å; L460-I463 PolarHBondContact O-N 3.5Å; L460-K464 WeakPolarHBondContact O-CB 3.45Å; L460-K464 PolarHBondContact O-N 3.34Å; L460-V522 HydrophobicContact CD1-CB 4.45Å; L460-V522 HydrophobicContact CD1-CG1 3.82Å; L460-E525 HydrophobicContact CD1-CB 4.39Å; L460-V528 HydrophobicContact CD2-CB 4.4Å; L460-V528 HydrophobicContact CD2-CG1 3.97Å; L460-I529 HydrophobicContact CD1-CD1 3.97Å; L460-I529 HydrophobicContact CD1-CG1 3.8Å; L460-I529 HydrophobicContact CD2-CG1 3.72Å; L460-I529 HydrophobicContact CG-CG1 4.43Å |
| 461 | L | 86.8 | Confident | 82.9 | Confident | 41 Ų | 41 | 61.2 Ų | 61.2 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 175 | -72.1 | 176.8 | 0 | 0 | 0 | 112.2 | F4 Y457 T458 S459 S465 | F4-L461 HydrophobicContact CD2-CD1 3.83Å; F4-L461 HydrophobicContact CE2-CD1 3.35Å; F4-L461 HydrophobicContact CZ-CD1 3.97Å; Y457-L461 HydrophobicContact CD1-CD1 4.07Å; Y457-L461 HydrophobicContact CE1-CD1 3.56Å; Y457-L461 HydrophobicContact CE1-CG 4.37Å; Y457-L461 HydrophobicContact CE2-CD1 4.17Å; Y457-L461 HydrophobicContact CE2-CD2 4.29Å; Y457-L461 HydrophobicContact CE2-CG 4.12Å; Y457-L461 WeakPolarHBondContact O-CG 3.35Å; Y457-L461 PolarHBondContact O-N 3.49Å; T458-L461 PolarHBondContact O-N 3.43Å; S459-L461 PolarHBondContact O-N 3.29Å; L461-S465 VanDerWaalsContact O-CB 3.25Å; L461-S465 WeakPolarHBondContact O-CB 3.3Å; L461-S465 PolarHBondContact O-N 2.95Å; L461-S465 PolarHBondContact O-OG 2.98Å |
| 462 | I | 85.2 | Confident | 80.7 | Confident | 84 Ų | 84 | 60.4 Ų | 60.4 | 43% | 0.431 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -47.6 | 176.6 | -72.3 | 165.7 | 0 | 0 | 0 | 110.1 | T458 S459 S465 H466 L779 | T458-I462 VanDerWaalsContact O-CG1 3.3Å; T458-I462 WeakPolarHBondContact O-CG1 3.31Å; T458-I462 PolarHBondContact O-N 3.34Å; S459-I462 PolarHBondContact O-N 3.33Å; I462-S465 PolarHBondContact O-N 2.92Å; I462-H466 WeakPolarHBondContact O-CB 3.46Å; I462-H466 PolarHBondContact O-CD2 3.24Å; I462-H466 PolarHBondContact O-N 3.47Å; I462-L779 HydrophobicContact CG2-CD1 3.7Å; I462-L779 HydrophobicContact CG2-CD2 4.11Å; I462-L779 HydrophobicContact CG2-CG 4.44Å |
| 463 | I | 83.1 | Confident | 78.7 | Confident | 29 Ų | 29 | 63.4 Ų | 63.4 | 15% | 0.149 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.4 | -49.7 | 178 | -68.9 | 164.7 | 0 | 0 | 0 | 110.5 | S459 L460 S465 H466 S467 I469 V528 L532 | S459-I463 WeakPolarHBondContact O-CB 3.42Å; S459-I463 WeakPolarHBondContact O-CD1 3.39Å; S459-I463 VanDerWaalsContact O-CG1 3.24Å; S459-I463 WeakPolarHBondContact O-CG1 3.38Å; S459-I463 PolarHBondContact O-N 3.2Å; L460-I463 PolarHBondContact O-N 3.5Å; I463-S465 PolarHBondContact O-N 3.47Å; I463-H466 PolarHBondContact O-N 2.86Å; I463-S467 WeakPolarHBondContact CG2-OG 3.12Å; I463-S467 VanDerWaalsContact O-CB 3.23Å; I463-S467 WeakPolarHBondContact O-CB 3.36Å; I463-S467 PolarHBondContact O-N 3.08Å; I463-S467 PolarHBondContact O-OG 3.15Å; I463-I469 HydrophobicContact CG2-CD1 3.61Å; I463-V528 HydrophobicContact CG2-CG1 4.1Å; I463-L532 HydrophobicContact CD1-CD1 4.03Å; I463-L532 HydrophobicContact CD1-CD2 3.85Å |
| 464 | K | 82.2 | Confident | 76.6 | Confident | 103 Ų | 103 | 73.9 Ų | 73.9 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.8 | -35.1 | 179.1 | -176.2 | 177.4 | -176 | 170.2 | 0 | 113 | L460 E525 V528 | L460-K464 WeakPolarHBondContact O-CB 3.45Å; L460-K464 PolarHBondContact O-N 3.34Å; K464-E525 IonicContact NZ-OE1 3.74Å; K464-E525 IonicContact NZ-OE2 3.24Å; K464-E525 PolarHBondContact NZ-OE2 3.13Å; K464-V528 HydrophobicContact CB-CG1 4.44Å; K464-V528 HydrophobicContact CB-CG2 4.33Å; K464-V528 HydrophobicContact CD-CG2 4.22Å; K464-V528 HydrophobicContact CG-CG2 4.27Å |
| 465 | S | 79.4 | Confident | 74.1 | Confident | 67 Ų | 67 | 81.8 Ų | 81.8 | 47% | 0.469 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -91.1 | -26.7 | -174.7 | -51.1 | 0 | 0 | 0 | 0 | 113.5 | L461 I462 I463 | L461-S465 VanDerWaalsContact O-CB 3.25Å; L461-S465 WeakPolarHBondContact O-CB 3.3Å; L461-S465 PolarHBondContact O-N 2.95Å; L461-S465 PolarHBondContact O-OG 2.98Å; I462-S465 PolarHBondContact O-N 2.92Å; I463-S465 PolarHBondContact O-N 3.47Å |
| 466 | H | 77.8 | Confident | 71.9 | Confident | 56 Ų | 56 | 87.1 Ų | 87.1 | 26% | 0.259 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -129.8 | 6.3 | -168.5 | -56.5 | -79.6 | 0 | 0 | 0 | 115.2 | I462 I463 F776 Q778 L779 | I462-H466 WeakPolarHBondContact O-CB 3.46Å; I462-H466 PolarHBondContact O-CD2 3.24Å; I462-H466 PolarHBondContact O-N 3.47Å; I463-H466 PolarHBondContact O-N 2.86Å; H466-F776 AromaticContact CE1-CD1 3.2Å; H466-F776 WeakPolarHBondContact CE1-CD1 3.24Å; H466-F776 AromaticContact CE1-CE1 3.53Å; H466-F776 AromaticContact CE1-CG 3.93Å; H466-F776 AromaticContact ND1-CD1 3.53Å; H466-F776 AromaticContact ND1-CG 3.91Å; H466-Q778 CarbonylContact O-C 3.55Å; H466-Q778 WeakPolarHBondContact O-CA 3.27Å; H466-L779 HydrophobicContact CB-CD1 3.97Å; H466-L779 HydrophobicContact CB-CG 3.82Å; H466-L779 PolarHBondContact O-N 2.89Å |
| 467 | S | 73.8 | Confident | 69.5 | Low | 34 Ų | 34 | 88.2 Ų | 88.2 | 24% | 0.238 | 47% | 0.472 | C | S | . | . | trans | -111.9 | 150.9 | 174.6 | 77.7 | 0 | 0 | 0 | 0 | 112.4 | I463 I469 | I463-S467 WeakPolarHBondContact CG2-OG 3.12Å; I463-S467 VanDerWaalsContact O-CB 3.23Å; I463-S467 WeakPolarHBondContact O-CB 3.36Å; I463-S467 PolarHBondContact O-N 3.08Å; I463-S467 PolarHBondContact O-OG 3.15Å; S467-I469 PolarHBondContact O-N 3.38Å; S467-I469 WeakPolarHBondContact OG-CG1 3.48Å | ||
| 468 | N | 65.6 | Low | 67.3 | Low | 113 Ų | 113 | 96 Ų | 96 | 60% | 0.604 | 51% | 0.507 | S | S | * | . | trans | -87.7 | 20.4 | 172 | -72.7 | -11.9 | 0 | 0 | 0 | 112.6 | Q778 | N468-Q778 VanDerWaalsContact CG-CD 3.42Å; N468-Q778 VanDerWaalsContact CG-NE2 3.33Å; N468-Q778 PolarHBondContact ND2-NE2 2.92Å; N468-Q778 PolarHBondContact ND2-OE1 3.37Å; N468-Q778 VanDerWaalsContact OD1-CD 3.24Å; N468-Q778 PolarHBondContact OD1-NE2 3.23Å | ||
| 469 | I | 64.6 | Low | 65.7 | Low | 38 Ų | 38 | 103.8 Ų | 103.8 | 20% | 0.195 | 54% | 0.538 | C | S | . | . | trans | -55.9 | 120.8 | 174.2 | -65.4 | -179.1 | 0 | 0 | 0 | 106.2 | I463 S467 K471 D531 L532 | I463-I469 HydrophobicContact CG2-CD1 3.61Å; S467-I469 PolarHBondContact O-N 3.38Å; S467-I469 WeakPolarHBondContact OG-CG1 3.48Å; I469-K471 PolarHBondContact O-N 3.38Å; I469-D531 HydrophobicContact CG2-CB 3.26Å; I469-L532 HydrophobicContact CD1-CD1 4.36Å | ||
| 470 | P | 55.1 | Low | 64.2 | Low | 100 Ų | 100 | 104.6 Ų | 104.6 | 65% | 0.649 | 54% | 0.542 | S | S | * | . | trans | -59.3 | 118.5 | -166.5 | 20.4 | -30.5 | 0 | 0 | 0 | 108.4 | G472 | P470-G472 PolarHBondContact O-N 3.23Š| ||
| 471 | K | 56.9 | Low | 63.1 | Low | 184 Ų | 184 | 108 Ų | 108 | 80% | 0.8 | 56% | 0.558 | S | S | * | * | trans | -60.1 | 96.8 | 166.2 | -66.2 | 178.2 | -177.1 | 176 | 0 | 105.7 | I469 T473 | I469-K471 PolarHBondContact O-N 3.38Å; K471-T473 PolarHBondContact O-N 3.48Å | ||
| 472 | G | 48.7 | Very low | 62.6 | Low | 60 Ų | 60 | 108.9 Ų | 108.9 | 62% | 0.619 | 57% | 0.566 | S | S | * | * | trans | -47.6 | 115.7 | -178 | 0 | 0 | 0 | 0 | 0 | 109.2 | P470 R474 | P470-G472 PolarHBondContact O-N 3.23Å; G472-R474 VanDerWaalsContact C-N 3.33Å; G472-R474 PolarHBondContact O-N 2.87Å | ||
| 473 | T | 54.3 | Low | 62.6 | Low | 133 Ų | 133 | 111.6 Ų | 111.6 | 82% | 0.816 | 58% | 0.581 | S | S | * | * | trans | -73.7 | 89.2 | 175.1 | 33.2 | 0 | 0 | 0 | 0 | 107.7 | K471 | K471-T473 PolarHBondContact O-N 3.48Š| ||
| 474 | R | 52.5 | Low | 62.8 | Low | 221 Ų | 221 | 112.1 Ų | 112.1 | 83% | 0.834 | 58% | 0.584 | S | S | * | * | trans | -170.1 | 129.9 | 157 | -111.4 | 148.8 | -175.7 | -144.9 | 1.4 | 118.1 | G472 | G472-R474 VanDerWaalsContact C-N 3.33Å; G472-R474 PolarHBondContact O-N 2.87Å | ||
| 475 | K | 42.9 | Very low | 63.2 | Low | 182 Ų | 182 | 110.3 Ų | 110.3 | 79% | 0.791 | 58% | 0.579 | S | S | * | * | trans | 55.7 | 101.7 | 146.2 | -71.1 | -178.6 | 179.9 | -173.4 | 0 | 117.9 | G477 | K475-G477 PolarHBondContact O-N 3.29Š| ||
| 476 | E | 45.9 | Very low | 63.8 | Low | 212 Ų | 212 | 114.3 Ų | 114.3 | 99% | 0.991 | 59% | 0.585 | S | S | * | * | trans | -47.2 | 96.4 | 152.2 | -67.2 | -176.3 | 155.8 | 0 | 0 | 110.5 | ||||
| 477 | G | 43.5 | Very low | 64.5 | Low | 60 Ų | 60 | 114 Ų | 114 | 62% | 0.619 | 59% | 0.588 | S | S | * | * | trans | -132.1 | 99.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | K475 | K475-G477 PolarHBondContact O-N 3.29Š| ||
| 478 | K | 48 | Very low | 65.5 | Low | 202 Ų | 202 | 114 Ų | 114 | 88% | 0.878 | 59% | 0.585 | S | S | * | * | trans | 41.5 | 99.1 | 162.5 | -68.7 | -175.5 | 177.5 | 179.5 | 0 | 118.6 | P480 | K478-P480 WeakPolarHBondContact O-CD 3.31Å; K478-P480 VanDerWaalsContact O-N 3.08Å | ||
| 479 | K | 56.8 | Low | 66.9 | Low | 191 Ų | 191 | 113 Ų | 113 | 83% | 0.83 | 58% | 0.578 | S | S | * | * | trans | 7.7 | 76.5 | 150.9 | -60.4 | -176 | 179.1 | -178.7 | 0 | 118 | H481 | K479-H481 VanDerWaalsContact C-N 3.33Š| ||
| 480 | P | 56.9 | Low | 68.3 | Low | 76 Ų | 76 | 113.5 Ų | 113.5 | 49% | 0.494 | 59% | 0.588 | S | S | . | * | trans | -78.7 | -20 | 166.1 | -6.6 | 25.4 | 0 | 0 | 0 | 112.2 | K478 C482 L484 | K478-P480 WeakPolarHBondContact O-CD 3.31Å; K478-P480 VanDerWaalsContact O-N 3.08Å; P480-C482 VanDerWaalsContact C-N 3.31Å; P480-C482 PolarHBondContact O-N 3.01Å; P480-L484 PolarHBondContact O-N 3.4Å | ||
| 481 | H | 65.1 | Low | 70.3 | Confident | 83 Ų | 83 | 111.8 Ų | 111.8 | 38% | 0.384 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.8 | -24.7 | -171.9 | -62.2 | -63.8 | 0 | 0 | 0 | 114.7 | K479 L485 | K479-H481 VanDerWaalsContact C-N 3.33Å; H481-L485 VanDerWaalsContact O-CB 3.26Å; H481-L485 WeakPolarHBondContact O-CB 3.33Å; H481-L485 PolarHBondContact O-N 3.4Å |
| 482 | C | 77 | Confident | 72.2 | Confident | 59 Ų | 59 | 103.7 Ų | 103.7 | 40% | 0.399 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -74.2 | -42.9 | -176.2 | -154.5 | 0 | 0 | 0 | 0 | 111.3 | P480 L485 Y486 | P480-C482 VanDerWaalsContact C-N 3.31Å; P480-C482 PolarHBondContact O-N 3.01Å; C482-L485 PolarHBondContact O-N 2.92Å; C482-Y486 HydrophobicContact CB-CE2 4.48Å; C482-Y486 WeakPolarHBondContact O-CD2 3.37Å; C482-Y486 PolarHBondContact O-N 2.94Å; C482-Y486 WeakPolarHBondContact SG-CE2 3.12Å |
| 483 | L | 84.8 | Confident | 74.5 | Confident | 140 Ų | 140 | 104.8 Ų | 104.8 | 73% | 0.733 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.5 | -41 | 177.6 | -171.8 | 141.9 | 0 | 0 | 0 | 111.8 | Y486 S487 | L483-Y486 PolarHBondContact O-N 3.13Å; L483-S487 PolarHBondContact O-N 2.95Å; L483-S487 PolarHBondContact O-OG 3.34Å |
| 484 | L | 87.6 | Confident | 76.5 | Confident | 41 Ų | 41 | 104.3 Ų | 104.3 | 22% | 0.215 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 173.7 | -173.3 | 71.6 | 0 | 0 | 0 | 111.7 | P480 S487 F488 Y520 L523 | P480-L484 PolarHBondContact O-N 3.4Å; L484-S487 PolarHBondContact O-N 3.31Å; L484-S487 PolarHBondContact O-OG 3.23Å; L484-F488 HydrophobicContact CD1-CD2 3.99Å; L484-F488 HydrophobicContact CD1-CE2 3.72Å; L484-F488 HydrophobicContact CG-CD2 4.16Å; L484-F488 HydrophobicContact CG-CE2 4.26Å; L484-F488 WeakPolarHBondContact O-CD2 3.44Å; L484-F488 PolarHBondContact O-N 3.21Å; L484-F488 VanDerWaalsContact O-N 3.09Å; L484-Y520 HydrophobicContact CD2-CD2 4.28Å; L484-Y520 HydrophobicContact CD2-CE2 4.26Å; L484-Y520 HydrophobicContact CG-CD2 4.23Å; L484-Y520 HydrophobicContact CG-CE2 4.32Å; L484-L523 HydrophobicContact CD2-CB 4.23Å |
| 485 | L | 89.4 | Confident | 78.6 | Confident | 64 Ų | 64 | 95.5 Ų | 95.5 | 34% | 0.335 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 176.7 | 177.3 | 61.9 | 0 | 0 | 0 | 111.2 | H481 C482 S487 F488 I489 Y520 | H481-L485 VanDerWaalsContact O-CB 3.26Å; H481-L485 WeakPolarHBondContact O-CB 3.33Å; H481-L485 PolarHBondContact O-N 3.4Å; C482-L485 PolarHBondContact O-N 2.92Å; L485-S487 VanDerWaalsContact C-N 3.33Å; L485-S487 PolarHBondContact O-N 3.16Å; L485-F488 PolarHBondContact O-N 2.71Å; L485-I489 HydrophobicContact CD1-CD1 4.01Å; L485-I489 HydrophobicContact CD1-CG1 4.3Å; L485-I489 HydrophobicContact CG-CD1 3.9Å; L485-I489 VanDerWaalsContact O-CG1 3.31Å; L485-I489 WeakPolarHBondContact O-CG1 3.45Å; L485-I489 PolarHBondContact O-N 2.89Å; L485-Y520 HydrophobicContact CB-CE2 4.01Å; L485-Y520 HydrophobicContact CD1-CE1 4.2Å; L485-Y520 HydrophobicContact CD1-CE2 4.05Å |
| 486 | Y | 91.7 | Very high | 81.1 | Confident | 152 Ų | 152 | 88.3 Ų | 88.3 | 60% | 0.596 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.4 | -36.7 | 178 | -69 | -53.8 | 0 | 0 | 0 | 112.7 | C482 L483 I489 A490 | C482-Y486 HydrophobicContact CB-CE2 4.48Å; C482-Y486 WeakPolarHBondContact O-CD2 3.37Å; C482-Y486 PolarHBondContact O-N 2.94Å; C482-Y486 WeakPolarHBondContact SG-CE2 3.12Å; L483-Y486 PolarHBondContact O-N 3.13Å; Y486-I489 PolarHBondContact O-N 3.42Å; Y486-A490 WeakPolarHBondContact O-CB 3.27Å; Y486-A490 PolarHBondContact O-N 3.3Å |
| 487 | S | 92.8 | Very high | 83.5 | Confident | 48 Ų | 48 | 80.8 Ų | 80.8 | 34% | 0.336 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.3 | -38.9 | 176.9 | 69.4 | 0 | 0 | 0 | 0 | 112.3 | L483 L484 L485 A490 T491 | L483-S487 PolarHBondContact O-N 2.95Å; L483-S487 PolarHBondContact O-OG 3.34Å; L484-S487 PolarHBondContact O-N 3.31Å; L484-S487 PolarHBondContact O-OG 3.23Å; L485-S487 VanDerWaalsContact C-N 3.33Å; L485-S487 PolarHBondContact O-N 3.16Å; S487-A490 PolarHBondContact O-N 2.91Å; S487-T491 WeakPolarHBondContact O-CB 3.46Å; S487-T491 PolarHBondContact O-N 3.34Å; S487-T491 PolarHBondContact O-OG1 3.44Å |
| 488 | F | 94.4 | Very high | 85.9 | Confident | 36 Ų | 36 | 81.3 Ų | 81.3 | 16% | 0.158 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -72.1 | -36.7 | 176.3 | -88.7 | -93.9 | 0 | 0 | 0 | 112.6 | L484 L485 T491 G492 V516 W519 Y520 L523 | L484-F488 HydrophobicContact CD1-CD2 3.99Å; L484-F488 HydrophobicContact CD1-CE2 3.72Å; L484-F488 HydrophobicContact CG-CD2 4.16Å; L484-F488 HydrophobicContact CG-CE2 4.26Å; L484-F488 WeakPolarHBondContact O-CD2 3.44Å; L484-F488 PolarHBondContact O-N 3.21Å; L484-F488 VanDerWaalsContact O-N 3.09Å; L485-F488 PolarHBondContact O-N 2.71Å; F488-T491 PolarHBondContact O-N 2.87Å; F488-G492 PolarHBondContact O-N 3.35Å; F488-V516 HydrophobicContact CB-CG1 4.36Å; F488-V516 HydrophobicContact CD1-CG1 3.8Å; F488-V516 WeakPolarHBondContact CD1-O 3.45Å; F488-V516 WeakPolarHBondContact CE1-O 3.5Å; F488-V516 WeakPolarHBondContact O-CG1 3.34Å; F488-W519 HydrophobicContact CE1-CB 3.86Å; F488-W519 HydrophobicContact CZ-CB 4.24Å; F488-Y520 HydrophobicContact CB-CD2 4.34Å; F488-Y520 HydrophobicContact CD2-CD2 4.17Å; F488-Y520 HydrophobicContact CG-CD2 4.24Å; F488-Y520 HydrophobicContact CG-CG 4.45Å; F488-L523 HydrophobicContact CE2-CD1 3.83Å; F488-L523 HydrophobicContact CZ-CD1 3.66Å |
| 489 | I | 95.1 | Very high | 88.1 | Confident | 91 Ų | 91 | 71.7 Ų | 71.7 | 47% | 0.467 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 170.7 | -68.2 | 168.2 | 0 | 0 | 0 | 110 | L485 Y486 T491 G492 V493 | L485-I489 HydrophobicContact CD1-CD1 4.01Å; L485-I489 HydrophobicContact CD1-CG1 4.3Å; L485-I489 HydrophobicContact CG-CD1 3.9Å; L485-I489 VanDerWaalsContact O-CG1 3.31Å; L485-I489 WeakPolarHBondContact O-CG1 3.45Å; L485-I489 PolarHBondContact O-N 2.89Å; Y486-I489 PolarHBondContact O-N 3.42Å; I489-T491 VanDerWaalsContact C-N 3.31Å; I489-T491 PolarHBondContact O-N 3.25Å; I489-G492 PolarHBondContact O-N 2.84Å; I489-V493 WeakPolarHBondContact O-CG2 3.42Å; I489-V493 PolarHBondContact O-N 3.44Å |
| 490 | A | 95.8 | Very high | 89.8 | Confident | 49 Ų | 49 | 68.6 Ų | 68.6 | 41% | 0.405 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y486 S487 V493 L494 | Y486-A490 WeakPolarHBondContact O-CB 3.27Å; Y486-A490 PolarHBondContact O-N 3.3Å; S487-A490 PolarHBondContact O-N 2.91Å; A490-V493 PolarHBondContact O-N 2.89Å; A490-L494 WeakPolarHBondContact O-CB 3.5Å; A490-L494 VanDerWaalsContact O-CG 3.28Å; A490-L494 WeakPolarHBondContact O-CG 3.42Å; A490-L494 PolarHBondContact O-N 3.37Å |
| 491 | T | 95.9 | Very high | 91.5 | Very high | 64 Ų | 64 | 70.2 Ų | 70.2 | 39% | 0.393 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 175.3 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | S487 F488 I489 V493 L494 V495 | S487-T491 WeakPolarHBondContact O-CB 3.46Å; S487-T491 PolarHBondContact O-N 3.34Å; S487-T491 PolarHBondContact O-OG1 3.44Å; F488-T491 PolarHBondContact O-N 2.87Å; I489-T491 VanDerWaalsContact C-N 3.31Å; I489-T491 PolarHBondContact O-N 3.25Å; T491-V493 PolarHBondContact O-N 3.34Å; T491-L494 PolarHBondContact O-N 3.32Å; T491-V495 WeakPolarHBondContact O-CG2 3.3Å; T491-V495 PolarHBondContact O-N 3.42Å |
| 492 | G | 96.4 | Very high | 92.8 | Very high | 14 Ų | 14 | 67.3 Ų | 67.3 | 14% | 0.144 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F488 I489 V495 A496 L513 | F488-G492 PolarHBondContact O-N 3.35Å; I489-G492 PolarHBondContact O-N 2.84Å; G492-V495 PolarHBondContact O-N 3.41Å; G492-A496 WeakPolarHBondContact O-CB 3.41Å; G492-A496 PolarHBondContact O-N 3.29Å; G492-L513 WeakPolarHBondContact O-CD2 3.45Å |
| 493 | V | 96.9 | Very high | 93.4 | Very high | 82 Ų | 82 | 68.5 Ų | 68.5 | 50% | 0.497 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 174.9 | 173.8 | 0 | 0 | 0 | 0 | 111 | I489 A490 T491 V495 A496 C497 | I489-V493 WeakPolarHBondContact O-CG2 3.42Å; I489-V493 PolarHBondContact O-N 3.44Å; A490-V493 PolarHBondContact O-N 2.89Å; T491-V493 PolarHBondContact O-N 3.34Å; V493-V495 PolarHBondContact O-N 2.71Å; V493-A496 PolarHBondContact O-N 2.59Å; V493-C497 WeakPolarHBondContact O-CB 3.34Å; V493-C497 PolarHBondContact O-N 3.38Å; V493-C497 PolarHBondContact O-SG 2.77Å |
| 494 | L | 96.7 | Very high | 93.6 | Very high | 124 Ų | 124 | 63.1 Ų | 63.1 | 65% | 0.649 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.1 | -43.4 | 177.4 | -72.9 | 170.3 | 0 | 0 | 0 | 112.2 | A490 T491 C497 F498 | A490-L494 WeakPolarHBondContact O-CB 3.5Å; A490-L494 VanDerWaalsContact O-CG 3.28Å; A490-L494 WeakPolarHBondContact O-CG 3.42Å; A490-L494 PolarHBondContact O-N 3.37Å; T491-L494 PolarHBondContact O-N 3.32Å; L494-C497 PolarHBondContact O-N 3.43Å; L494-F498 WeakPolarHBondContact O-CB 3.49Å; L494-F498 PolarHBondContact O-N 3.14Å |
| 495 | V | 96.1 | Very high | 93.7 | Very high | 36 Ų | 36 | 64.5 Ų | 64.5 | 22% | 0.218 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 175 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | T491 G492 V493 C497 F498 L499 C512 L513 | T491-V495 WeakPolarHBondContact O-CG2 3.3Å; T491-V495 PolarHBondContact O-N 3.42Å; G492-V495 PolarHBondContact O-N 3.41Å; V493-V495 PolarHBondContact O-N 2.71Å; V495-C497 PolarHBondContact O-N 3.37Å; V495-F498 PolarHBondContact O-N 3.24Å; V495-L499 HydrophobicContact CG1-CD1 4.15Å; V495-L499 WeakPolarHBondContact O-CG 3.44Å; V495-L499 PolarHBondContact O-N 3.08Å; V495-C512 HydrophobicContact CG1-CB 3.73Å; V495-L513 HydrophobicContact CB-CD2 3.94Å; V495-L513 HydrophobicContact CG1-CD2 3.75Å; V495-L513 HydrophobicContact CG1-CG 4.35Å |
| 496 | A | 96.1 | Very high | 93.9 | Very high | 30 Ų | 30 | 70.7 Ų | 70.7 | 25% | 0.248 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G492 V493 L499 M500 | G492-A496 WeakPolarHBondContact O-CB 3.41Å; G492-A496 PolarHBondContact O-N 3.29Å; V493-A496 PolarHBondContact O-N 2.59Å; A496-L499 PolarHBondContact O-N 3.05Å; A496-M500 WeakPolarHBondContact O-CB 3.45Å; A496-M500 PolarHBondContact O-N 3.32Å |
| 497 | C | 95.6 | Very high | 93.9 | Very high | 54 Ų | 54 | 64.3 Ų | 64.3 | 37% | 0.365 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 174.9 | -69.9 | 0 | 0 | 0 | 0 | 111.9 | V493 L494 V495 L499 M500 I501 | V493-C497 WeakPolarHBondContact O-CB 3.34Å; V493-C497 PolarHBondContact O-N 3.38Å; V493-C497 PolarHBondContact O-SG 2.77Å; L494-C497 PolarHBondContact O-N 3.43Å; V495-C497 PolarHBondContact O-N 3.37Å; C497-L499 VanDerWaalsContact C-N 3.35Å; C497-L499 PolarHBondContact O-N 3.09Å; C497-M500 PolarHBondContact O-N 3.44Å; C497-I501 WeakPolarHBondContact O-CD1 3.3Å; C497-I501 VanDerWaalsContact O-CG1 3.23Å; C497-I501 WeakPolarHBondContact O-CG1 3.41Å; C497-I501 PolarHBondContact O-N 3.48Å |
| 498 | F | 94.1 | Very high | 93.9 | Very high | 72 Ų | 72 | 63.3 Ų | 63.3 | 32% | 0.316 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.8 | -42.8 | 177.4 | 172.1 | -99.8 | 0 | 0 | 0 | 112.5 | L383 L386 F442 L494 V495 Q502 | L383-F498 HydrophobicContact CD1-CE2 4.48Å; L386-F498 HydrophobicContact CD1-CE2 3.81Å; L386-F498 HydrophobicContact CD1-CZ 4.05Å; F442-F498 HydrophobicContact CE2-CE1 4.29Å; F442-F498 HydrophobicContact CZ-CE1 4.13Å; L494-F498 WeakPolarHBondContact O-CB 3.49Å; L494-F498 PolarHBondContact O-N 3.14Å; V495-F498 PolarHBondContact O-N 3.24Å; F498-Q502 PolarHBondContact O-N 3.25Å; F498-Q502 PolarHBondContact O-NE2 3.48Å |
| 499 | L | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -69.7 | -36.6 | 176.4 | -66.6 | 175.1 | 0 | 0 | 0 | 112.2 | F442 V495 A496 C497 Q502 A503 C504 Y509 C512 | F442-L499 HydrophobicContact CE1-CD2 4.42Å; F442-L499 HydrophobicContact CZ-CD2 4.39Å; V495-L499 HydrophobicContact CG1-CD1 4.15Å; V495-L499 WeakPolarHBondContact O-CG 3.44Å; V495-L499 PolarHBondContact O-N 3.08Å; A496-L499 PolarHBondContact O-N 3.05Å; C497-L499 VanDerWaalsContact C-N 3.35Å; C497-L499 PolarHBondContact O-N 3.09Å; L499-Q502 PolarHBondContact O-N 3.34Å; L499-A503 PolarHBondContact O-N 2.97Å; L499-C504 HydrophobicContact CB-CB 4.28Å; L499-C504 HydrophobicContact CD2-CB 4.07Å; L499-C504 PolarHBondContact O-N 3.49Å; L499-Y509 HydrophobicContact CB-CD1 4.18Å; L499-Y509 HydrophobicContact CB-CD2 4.45Å; L499-Y509 HydrophobicContact CB-CE1 3.7Å; L499-Y509 HydrophobicContact CB-CE2 4Å; L499-Y509 HydrophobicContact CD1-CD1 3.83Å; L499-Y509 HydrophobicContact CD1-CD2 4.2Å; L499-Y509 HydrophobicContact CD1-CE1 4.22Å; L499-Y509 HydrophobicContact CD1-CG 3.83Å; L499-C512 HydrophobicContact CD1-CB 3.98Å |
| 500 | M | 93.6 | Very high | 94 | Very high | 125 Ų | 125 | 62.6 Ų | 62.6 | 62% | 0.616 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -66.8 | -42.4 | 178.2 | -172.1 | -176.6 | 74.9 | 0 | 0 | 111.9 | A496 C497 Q502 A503 Y509 | A496-M500 WeakPolarHBondContact O-CB 3.45Å; A496-M500 PolarHBondContact O-N 3.32Å; C497-M500 PolarHBondContact O-N 3.44Å; M500-Q502 PolarHBondContact O-N 2.95Å; M500-A503 PolarHBondContact O-N 3.39Å; M500-A503 VanDerWaalsContact O-N 3.08Å; M500-Y509 WeakPolarHBondContact CA-OH 3.48Å; M500-Y509 PolarHBondContact N-OH 2.91Å; M500-Y509 VanDerWaalsContact N-OH 3.12Å |
| 501 | I | 92.3 | Very high | 94 | Very high | 111 Ų | 111 | 60.9 Ų | 60.9 | 57% | 0.569 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.3 | -32.9 | 177.9 | -70.8 | 165.5 | 0 | 0 | 0 | 111.6 | L383 C497 | L383-I501 HydrophobicContact CD1-CG2 4.27Å; L383-I501 HydrophobicContact CD2-CG2 3.68Å; L383-I501 HydrophobicContact CG-CG2 4.2Å; C497-I501 WeakPolarHBondContact O-CD1 3.3Å; C497-I501 VanDerWaalsContact O-CG1 3.23Å; C497-I501 WeakPolarHBondContact O-CG1 3.41Å; C497-I501 PolarHBondContact O-N 3.48Å |
| 502 | Q | 91.4 | Very high | 94 | Very high | 21 Ų | 21 | 58 Ų | 58 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 8.6 | 178.3 | -73.5 | 177.7 | 97.1 | 0 | 0 | 113.7 | A381 L383 F498 L499 M500 C504 | A381-Q502 WeakPolarHBondContact O-CA 3.37Å; A381-Q502 WeakPolarHBondContact O-CB 3.38Å; A381-Q502 VanDerWaalsContact O-O 3.1Å; L383-Q502 HydrophobicContact CD1-CG 4.36Å; L383-Q502 HydrophobicContact CG-CG 3.99Å; F498-Q502 PolarHBondContact O-N 3.25Å; F498-Q502 PolarHBondContact O-NE2 3.48Å; L499-Q502 PolarHBondContact O-N 3.34Å; M500-Q502 PolarHBondContact O-N 2.95Å; Q502-C504 PolarHBondContact O-N 3.06Å; Q502-C504 VanDerWaalsContact O-N 3.09Å |
| 503 | A | 89.3 | Confident | 94 | Very high | 85 Ų | 85 | 60 Ų | 60 | 70% | 0.702 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 38.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L499 M500 | L499-A503 PolarHBondContact O-N 2.97Å; M500-A503 PolarHBondContact O-N 3.39Å; M500-A503 VanDerWaalsContact O-N 3.08Å |
| 504 | C | 90.3 | Very high | 94 | Very high | 26 Ų | 26 | 57.5 Ų | 57.5 | 18% | 0.176 | 31% | 0.307 | C | S | . | . | trans | -64.8 | 151.6 | -177.6 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | L499 Q502 Y508 Y509 | L499-C504 HydrophobicContact CB-CB 4.28Å; L499-C504 HydrophobicContact CD2-CB 4.07Å; L499-C504 PolarHBondContact O-N 3.49Å; Q502-C504 PolarHBondContact O-N 3.06Å; Q502-C504 VanDerWaalsContact O-N 3.09Å; C504-Y508 HydrophobicContact CB-CD2 3.8Å; C504-Y508 HydrophobicContact CB-CG 4.1Å; C504-Y509 WeakPolarHBondContact O-CE2 3.44Å | ||
| 505 | P | 90.1 | Very high | 94 | Very high | 71 Ų | 71 | 52.1 Ų | 52.1 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | trans | -57.4 | 152.5 | 173.6 | -23.2 | 33.4 | 0 | 0 | 0 | 112.6 | T507 Y508 Y509 | P505-T507 PolarHBondContact O-N 3.18Å; P505-T507 VanDerWaalsContact O-N 3.13Å; P505-Y508 HydrophobicContact CB-CD1 4.17Å; P505-Y508 HydrophobicContact CB-CE1 4.5Å; P505-Y508 HydrophobicContact CG-CD1 4.16Å; P505-Y508 HydrophobicContact CG-CE1 4.08Å; P505-Y508 WeakPolarHBondContact O-CB 3.2Å; P505-Y508 PolarHBondContact O-N 2.85Å; P505-Y509 WeakPolarHBondContact O-CD2 3.45Å | ||
| 506 | W | 92 | Very high | 94 | Very high | 194 Ų | 194 | 51.5 Ų | 51.5 | 74% | 0.735 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.7 | -29.9 | -178.4 | 73 | -92.4 | 0 | 0 | 0 | 113.3 | Y508 Y509 V510 | W506-Y508 PolarHBondContact O-N 3.01Å; W506-Y509 WeakPolarHBondContact O-CB 3.44Å; W506-Y509 PolarHBondContact O-N 3.34Å; W506-Y509 VanDerWaalsContact O-N 3.17Å; W506-V510 HydrophobicContact CE3-CG2 3.99Å; W506-V510 HydrophobicContact CZ3-CG2 3.84Å |
| 507 | T | 92.4 | Very high | 93.9 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -30.4 | 177.7 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | D21 P505 Y509 V510 Y511 | D21-T507 WeakPolarHBondContact OD2-CB 3.32Å; D21-T507 VanDerWaalsContact OD2-CG2 3.31Å; D21-T507 WeakPolarHBondContact OD2-CG2 3.34Å; D21-T507 PolarHBondContact OD2-OG1 3.28Å; P505-T507 PolarHBondContact O-N 3.18Å; P505-T507 VanDerWaalsContact O-N 3.13Å; T507-Y509 VanDerWaalsContact C-N 3.26Å; T507-Y509 PolarHBondContact O-N 2.9Å; T507-V510 WeakPolarHBondContact O-CB 3.39Å; T507-V510 PolarHBondContact O-N 3.47Å; T507-V510 VanDerWaalsContact O-N 3.09Å; T507-Y511 WeakPolarHBondContact O-CD2 3.48Å; T507-Y511 PolarHBondContact O-N 3.3Å; T507-Y511 VanDerWaalsContact O-N 3.1Å |
| 508 | Y | 93.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 11% | 0.106 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -34.8 | 177 | -76.3 | 35.8 | 0 | 0 | 0 | 111 | D439 F442 L443 C504 P505 W506 V510 Y511 C512 | D439-Y508 HydrophobicContact CB-CE2 4.1Å; D439-Y508 VanDerWaalsContact CB-OH 3.26Å; D439-Y508 WeakPolarHBondContact CB-OH 3.48Å; D439-Y508 PolarHBondContact OD2-OH 3.01Å; F442-Y508 HydrophobicContact CE1-CD2 4.46Å; L443-Y508 HydrophobicContact CD1-CD1 4.34Å; L443-Y508 HydrophobicContact CD1-CE1 3.68Å; L443-Y508 HydrophobicContact CD1-CE2 4.22Å; L443-Y508 HydrophobicContact CD2-CD1 4.06Å; L443-Y508 HydrophobicContact CD2-CD2 3.84Å; L443-Y508 HydrophobicContact CD2-CE1 4.16Å; L443-Y508 HydrophobicContact CD2-CE2 3.94Å; L443-Y508 HydrophobicContact CD2-CG 3.89Å; L443-Y508 HydrophobicContact CG-CE1 4.4Å; L443-Y508 HydrophobicContact CG-CE2 4.2Å; C504-Y508 HydrophobicContact CB-CD2 3.8Å; C504-Y508 HydrophobicContact CB-CG 4.1Å; P505-Y508 HydrophobicContact CB-CD1 4.17Å; P505-Y508 HydrophobicContact CB-CE1 4.5Å; P505-Y508 HydrophobicContact CG-CD1 4.16Å; P505-Y508 HydrophobicContact CG-CE1 4.08Å; P505-Y508 WeakPolarHBondContact O-CB 3.2Å; P505-Y508 PolarHBondContact O-N 2.85Å; W506-Y508 PolarHBondContact O-N 3.01Å; Y508-V510 VanDerWaalsContact C-N 3.31Å; Y508-V510 PolarHBondContact O-N 3.33Å; Y508-Y511 PolarHBondContact O-N 2.89Å; Y508-C512 VanDerWaalsContact O-CB 3.32Å; Y508-C512 WeakPolarHBondContact O-CB 3.49Å; Y508-C512 PolarHBondContact O-N 3.47Å; Y508-C512 PolarHBondContact O-SG 2.7Å |
| 509 | Y | 95.9 | Very high | 94 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 175.1 | -66 | -104.3 | 0 | 0 | 0 | 110.7 | L499 M500 C504 P505 W506 T507 Y511 L513 | L499-Y509 HydrophobicContact CB-CD1 4.18Å; L499-Y509 HydrophobicContact CB-CD2 4.45Å; L499-Y509 HydrophobicContact CB-CE1 3.7Å; L499-Y509 HydrophobicContact CB-CE2 4Å; L499-Y509 HydrophobicContact CD1-CD1 3.83Å; L499-Y509 HydrophobicContact CD1-CD2 4.2Å; L499-Y509 HydrophobicContact CD1-CE1 4.22Å; L499-Y509 HydrophobicContact CD1-CG 3.83Å; M500-Y509 WeakPolarHBondContact CA-OH 3.48Å; M500-Y509 PolarHBondContact N-OH 2.91Å; M500-Y509 VanDerWaalsContact N-OH 3.12Å; C504-Y509 WeakPolarHBondContact O-CE2 3.44Å; P505-Y509 WeakPolarHBondContact O-CD2 3.45Å; W506-Y509 WeakPolarHBondContact O-CB 3.44Å; W506-Y509 PolarHBondContact O-N 3.34Å; W506-Y509 VanDerWaalsContact O-N 3.17Å; T507-Y509 VanDerWaalsContact C-N 3.26Å; T507-Y509 PolarHBondContact O-N 2.9Å; Y509-Y511 PolarHBondContact O-N 3.47Å; Y509-L513 HydrophobicContact CD1-CD1 4.47Å; Y509-L513 WeakPolarHBondContact O-CB 3.45Å; Y509-L513 WeakPolarHBondContact O-CG 3.46Å; Y509-L513 PolarHBondContact O-N 3.2Å |
| 510 | V | 95.4 | Very high | 94 | Very high | 53 Ų | 53 | 53.8 Ų | 53.8 | 32% | 0.321 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.5 | -48.8 | 176.7 | -180 | 0 | 0 | 0 | 0 | 110.2 | V14 W506 T507 Y508 L514 | V14-V510 HydrophobicContact CB-CG1 4.48Å; V14-V510 HydrophobicContact CG1-CG1 3.66Å; V14-V510 HydrophobicContact CG2-CG1 3.94Å; W506-V510 HydrophobicContact CE3-CG2 3.99Å; W506-V510 HydrophobicContact CZ3-CG2 3.84Å; T507-V510 WeakPolarHBondContact O-CB 3.39Å; T507-V510 PolarHBondContact O-N 3.47Å; T507-V510 VanDerWaalsContact O-N 3.09Å; Y508-V510 VanDerWaalsContact C-N 3.31Å; Y508-V510 PolarHBondContact O-N 3.33Å; V510-L514 WeakPolarHBondContact O-CB 3.44Å; V510-L514 PolarHBondContact O-N 3.04Å; V510-L514 VanDerWaalsContact O-N 3.12Å |
| 511 | Y | 95.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.3 | -37.9 | -175.9 | -51.7 | -37.7 | 0 | 0 | 0 | 113.6 | V14 A17 S18 D21 L443 V447 T507 Y508 Y509 P515 | V14-Y511 HydrophobicContact CG1-CD1 3.73Å; V14-Y511 HydrophobicContact CG1-CE1 3.89Å; A17-Y511 PolarHBondContact O-OH 3.27Å; S18-Y511 PolarHBondContact N-OH 3.07Å; D21-Y511 HydrophobicContact CB-CE2 3.84Å; D21-Y511 WeakPolarHBondContact OD2-CE2 3.45Å; D21-Y511 PolarHBondContact OD2-OH 2.83Å; L443-Y511 HydrophobicContact CD2-CD2 4.26Å; V447-Y511 HydrophobicContact CG2-CG 4.48Å; T507-Y511 WeakPolarHBondContact O-CD2 3.48Å; T507-Y511 PolarHBondContact O-N 3.3Å; T507-Y511 VanDerWaalsContact O-N 3.1Å; Y508-Y511 PolarHBondContact O-N 2.89Å; Y509-Y511 PolarHBondContact O-N 3.47Å; Y511-P515 WeakPolarHBondContact O-CD 3.37Å |
| 512 | C | 96.3 | Very high | 94 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -83.7 | -29.1 | -177.5 | -57.6 | 0 | 0 | 0 | 0 | 112.9 | V495 L499 Y508 | V495-C512 HydrophobicContact CG1-CB 3.73Å; L499-C512 HydrophobicContact CD1-CB 3.98Å; Y508-C512 VanDerWaalsContact O-CB 3.32Å; Y508-C512 WeakPolarHBondContact O-CB 3.49Å; Y508-C512 PolarHBondContact O-N 3.47Å; Y508-C512 PolarHBondContact O-SG 2.7Å |
| 513 | L | 96.6 | Very high | 94 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 29% | 0.288 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -84.5 | -28.1 | 177.9 | -64.6 | 172.4 | 0 | 0 | 0 | 112.5 | G492 V495 Y509 V516 P517 | G492-L513 WeakPolarHBondContact O-CD2 3.45Å; V495-L513 HydrophobicContact CB-CD2 3.94Å; V495-L513 HydrophobicContact CG1-CD2 3.75Å; V495-L513 HydrophobicContact CG1-CG 4.35Å; Y509-L513 HydrophobicContact CD1-CD1 4.47Å; Y509-L513 WeakPolarHBondContact O-CB 3.45Å; Y509-L513 WeakPolarHBondContact O-CG 3.46Å; Y509-L513 PolarHBondContact O-N 3.2Å; L513-V516 WeakPolarHBondContact O-CB 3.25Å; L513-V516 PolarHBondContact O-N 3.11Å; L513-V516 VanDerWaalsContact O-N 3.08Å; L513-P517 WeakPolarHBondContact O-CD 3.44Å |
| 514 | L | 95.5 | Very high | 94 | Very high | 31 Ų | 31 | 46.2 Ų | 46.2 | 16% | 0.162 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -41.4 | -178.4 | 176.5 | 66.1 | 0 | 0 | 0 | 114.3 | I11 V14 F15 V510 V516 P517 I518 | I11-L514 HydrophobicContact CG1-CD1 4.15Å; I11-L514 HydrophobicContact CG2-CD2 4.41Å; V14-L514 HydrophobicContact CB-CD2 4.07Å; V14-L514 HydrophobicContact CG1-CD2 3.68Å; F15-L514 HydrophobicContact CD1-CD2 4.42Å; F15-L514 HydrophobicContact CE1-CD2 3.83Å; F15-L514 HydrophobicContact CZ-CD2 4.33Å; V510-L514 WeakPolarHBondContact O-CB 3.44Å; V510-L514 PolarHBondContact O-N 3.04Å; V510-L514 VanDerWaalsContact O-N 3.12Å; L514-V516 PolarHBondContact O-N 2.92Å; L514-P517 VanDerWaalsContact O-CD 3.25Å; L514-P517 WeakPolarHBondContact O-CD 3.1Å; L514-P517 WeakPolarHBondContact O-CG 3.47Å; L514-I518 HydrophobicContact CD1-CD1 3.93Å; L514-I518 HydrophobicContact CD2-CD1 4.48Å; L514-I518 HydrophobicContact CG-CD1 3.84Å; L514-I518 WeakPolarHBondContact O-CD1 3.5Å; L514-I518 WeakPolarHBondContact O-CG1 3.5Å |
| 515 | P | 96.4 | Very high | 93.8 | Very high | 11 Ų | 11 | 46 Ų | 46 | 7% | 0.071 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.7 | -29.2 | 177 | -24.5 | 34.1 | 0 | 0 | 0 | 113.8 | N446 V449 Y511 I518 W519 | N446-P515 WeakPolarHBondContact O-CG 3.36Å; V449-P515 HydrophobicContact CG1-CB 4.11Å; Y511-P515 WeakPolarHBondContact O-CD 3.37Å; P515-I518 PolarHBondContact O-N 3.02Å; P515-W519 WeakPolarHBondContact O-CB 3.25Å; P515-W519 VanDerWaalsContact O-CD1 3.25Å; P515-W519 PolarHBondContact O-N 2.73Å |
| 516 | V | 96.3 | Very high | 93.5 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 13% | 0.133 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.1 | -58.2 | -175.1 | -178.8 | 0 | 0 | 0 | 0 | 112.4 | F488 L513 L514 I518 W519 Y520 | F488-V516 HydrophobicContact CB-CG1 4.36Å; F488-V516 HydrophobicContact CD1-CG1 3.8Å; F488-V516 WeakPolarHBondContact CD1-O 3.45Å; F488-V516 WeakPolarHBondContact CE1-O 3.5Å; F488-V516 WeakPolarHBondContact O-CG1 3.34Å; L513-V516 WeakPolarHBondContact O-CB 3.25Å; L513-V516 PolarHBondContact O-N 3.11Å; L513-V516 VanDerWaalsContact O-N 3.08Å; L514-V516 PolarHBondContact O-N 2.92Å; V516-I518 VanDerWaalsContact C-N 3.3Å; V516-I518 PolarHBondContact O-N 2.58Å; V516-W519 PolarHBondContact O-N 2.9Å; V516-Y520 WeakPolarHBondContact O-CB 3.28Å; V516-Y520 PolarHBondContact O-N 3.12Å |
| 517 | P | 94.8 | Very high | 93.1 | Very high | 76 Ų | 76 | 42.7 Ų | 42.7 | 49% | 0.494 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.7 | -29.3 | 177.8 | 27.4 | -35.5 | 0 | 0 | 0 | 113.1 | L513 L514 A521 | L513-P517 WeakPolarHBondContact O-CD 3.44Å; L514-P517 VanDerWaalsContact O-CD 3.25Å; L514-P517 WeakPolarHBondContact O-CD 3.1Å; L514-P517 WeakPolarHBondContact O-CG 3.47Å; P517-A521 WeakPolarHBondContact O-CB 3.33Å; P517-A521 PolarHBondContact O-N 2.67Å |
| 518 | I | 95.4 | Very high | 92.8 | Very high | 10 Ų | 10 | 42.8 Ų | 42.8 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.2 | -50.3 | 177.3 | -65.9 | 174.4 | 0 | 0 | 0 | 110.1 | I11 G453 W454 L514 P515 V516 Y520 A521 V522 | I11-I518 HydrophobicContact CD1-CD1 4.1Å; I11-I518 HydrophobicContact CD1-CG1 4.46Å; G453-I518 WeakPolarHBondContact O-CG2 3.34Å; W454-I518 HydrophobicContact CB-CD1 4.47Å; W454-I518 HydrophobicContact CB-CG2 4.49Å; L514-I518 HydrophobicContact CD1-CD1 3.93Å; L514-I518 HydrophobicContact CD2-CD1 4.48Å; L514-I518 HydrophobicContact CG-CD1 3.84Å; L514-I518 WeakPolarHBondContact O-CD1 3.5Å; L514-I518 WeakPolarHBondContact O-CG1 3.5Å; P515-I518 PolarHBondContact O-N 3.02Å; V516-I518 VanDerWaalsContact C-N 3.3Å; V516-I518 PolarHBondContact O-N 2.58Å; I518-Y520 VanDerWaalsContact C-N 3.33Å; I518-Y520 PolarHBondContact O-N 2.9Å; I518-A521 WeakPolarHBondContact O-CA 3.26Å; I518-A521 WeakPolarHBondContact O-CB 3.46Å; I518-A521 PolarHBondContact O-N 3.4Å; I518-V522 WeakPolarHBondContact O-CG2 3.25Å; I518-V522 PolarHBondContact O-N 3.47Å |
| 519 | W | 96.4 | Very high | 92.4 | Very high | 71 Ų | 71 | 43.9 Ų | 43.9 | 27% | 0.269 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.2 | -31.5 | 179.1 | -81.1 | 103.3 | 0 | 0 | 0 | 112.6 | V449 V452 F488 P515 V516 A521 V522 L523 | V449-W519 VanDerWaalsContact CG1-NE1 3.3Å; V449-W519 PolarHBondContact O-NE1 3.24Å; V452-W519 HydrophobicContact CB-CZ2 4.46Å; V452-W519 HydrophobicContact CG1-CH2 4.26Å; V452-W519 HydrophobicContact CG1-CZ2 3.97Å; F488-W519 HydrophobicContact CE1-CB 3.86Å; F488-W519 HydrophobicContact CZ-CB 4.24Å; P515-W519 WeakPolarHBondContact O-CB 3.25Å; P515-W519 VanDerWaalsContact O-CD1 3.25Å; P515-W519 PolarHBondContact O-N 2.73Å; V516-W519 PolarHBondContact O-N 2.9Å; W519-A521 VanDerWaalsContact C-N 3.31Å; W519-A521 PolarHBondContact O-N 3.04Å; W519-V522 HydrophobicContact CE3-CB 4.13Å; W519-V522 HydrophobicContact CE3-CG1 4.03Å; W519-V522 HydrophobicContact CE3-CG2 4.43Å; W519-V522 HydrophobicContact CZ3-CG1 4.02Å; W519-V522 PolarHBondContact O-N 3.34Å; W519-L523 WeakPolarHBondContact O-CB 3.3Å; W519-L523 WeakPolarHBondContact O-CG 3.42Å; W519-L523 PolarHBondContact O-N 3.16Å |
| 520 | Y | 94.8 | Very high | 91.9 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 18% | 0.184 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.8 | -45.6 | 166.5 | 170 | -108.6 | 0 | 0 | 0 | 111.2 | L484 L485 F488 V516 I518 V522 L523 R524 | L484-Y520 HydrophobicContact CD2-CD2 4.28Å; L484-Y520 HydrophobicContact CD2-CE2 4.26Å; L484-Y520 HydrophobicContact CG-CD2 4.23Å; L484-Y520 HydrophobicContact CG-CE2 4.32Å; L485-Y520 HydrophobicContact CB-CE2 4.01Å; L485-Y520 HydrophobicContact CD1-CE1 4.2Å; L485-Y520 HydrophobicContact CD1-CE2 4.05Å; F488-Y520 HydrophobicContact CB-CD2 4.34Å; F488-Y520 HydrophobicContact CD2-CD2 4.17Å; F488-Y520 HydrophobicContact CG-CD2 4.24Å; F488-Y520 HydrophobicContact CG-CG 4.45Å; V516-Y520 WeakPolarHBondContact O-CB 3.28Å; V516-Y520 PolarHBondContact O-N 3.12Å; I518-Y520 VanDerWaalsContact C-N 3.33Å; I518-Y520 PolarHBondContact O-N 2.9Å; Y520-V522 PolarHBondContact O-N 3.29Å; Y520-L523 PolarHBondContact O-N 2.92Å; Y520-R524 VanDerWaalsContact O-CB 3.28Å; Y520-R524 WeakPolarHBondContact O-CB 3.44Å; Y520-R524 PolarHBondContact O-N 3.01Å |
| 521 | A | 91.9 | Very high | 91.3 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.4 | -36.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y457 P517 I518 W519 | Y457-A521 HydrophobicContact CD2-CB 3.75Å; Y457-A521 HydrophobicContact CE2-CB 3.57Å; Y457-A521 HydrophobicContact CG-CB 4.38Å; P517-A521 WeakPolarHBondContact O-CB 3.33Å; P517-A521 PolarHBondContact O-N 2.67Å; I518-A521 WeakPolarHBondContact O-CA 3.26Å; I518-A521 WeakPolarHBondContact O-CB 3.46Å; I518-A521 PolarHBondContact O-N 3.4Å; W519-A521 VanDerWaalsContact C-N 3.31Å; W519-A521 PolarHBondContact O-N 3.04Å |
| 522 | V | 93.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.03 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -55.8 | 172.4 | 173 | 0 | 0 | 0 | 0 | 110.9 | G453 L460 I518 W519 Y520 R524 E525 I529 | G453-V522 WeakPolarHBondContact O-CG2 3.47Å; L460-V522 HydrophobicContact CD1-CB 4.45Å; L460-V522 HydrophobicContact CD1-CG1 3.82Å; I518-V522 WeakPolarHBondContact O-CG2 3.25Å; I518-V522 PolarHBondContact O-N 3.47Å; W519-V522 HydrophobicContact CE3-CB 4.13Å; W519-V522 HydrophobicContact CE3-CG1 4.03Å; W519-V522 HydrophobicContact CE3-CG2 4.43Å; W519-V522 HydrophobicContact CZ3-CG1 4.02Å; W519-V522 PolarHBondContact O-N 3.34Å; Y520-V522 PolarHBondContact O-N 3.29Å; V522-R524 VanDerWaalsContact C-N 3.26Å; V522-R524 PolarHBondContact O-N 3.21Å; V522-E525 PolarHBondContact O-N 3.37Å; V522-E525 VanDerWaalsContact O-N 3.09Å; V522-I529 HydrophobicContact CG1-CD1 4.15Å |
| 523 | L | 91.7 | Very high | 90.2 | Very high | 71 Ų | 71 | 50.6 Ų | 50.6 | 37% | 0.372 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.2 | -22.6 | -175.1 | -65.6 | -176.9 | 0 | 0 | 0 | 113.1 | L484 F488 W519 Y520 E525 H526 | L484-L523 HydrophobicContact CD2-CB 4.23Å; F488-L523 HydrophobicContact CE2-CD1 3.83Å; F488-L523 HydrophobicContact CZ-CD1 3.66Å; W519-L523 WeakPolarHBondContact O-CB 3.3Å; W519-L523 WeakPolarHBondContact O-CG 3.42Å; W519-L523 PolarHBondContact O-N 3.16Å; Y520-L523 PolarHBondContact O-N 2.92Å; L523-E525 PolarHBondContact O-N 3.48Å; L523-H526 WeakPolarHBondContact O-CB 3.47Å; L523-H526 PolarHBondContact O-N 3.41Å |
| 524 | R | 88.9 | Confident | 89.5 | Confident | 94 Ų | 94 | 54 Ų | 54 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.6 | -32.3 | 171.6 | -170.1 | -178.3 | 71 | -166.4 | -1.9 | 111.7 | Y520 V522 H526 | Y520-R524 VanDerWaalsContact O-CB 3.28Å; Y520-R524 WeakPolarHBondContact O-CB 3.44Å; Y520-R524 PolarHBondContact O-N 3.01Å; V522-R524 VanDerWaalsContact C-N 3.26Å; V522-R524 PolarHBondContact O-N 3.21Å; R524-H526 PolarHBondContact O-N 2.68Å |
| 525 | E | 87.5 | Confident | 88.8 | Confident | 23 Ų | 23 | 55.2 Ų | 55.2 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 33.3 | 178.6 | -53.5 | -64 | 153.3 | 0 | 0 | 112.1 | L460 K464 V522 L523 E527 V528 I529 | L460-E525 HydrophobicContact CD1-CB 4.39Å; K464-E525 IonicContact NZ-OE1 3.74Å; K464-E525 IonicContact NZ-OE2 3.24Å; K464-E525 PolarHBondContact NZ-OE2 3.13Å; V522-E525 PolarHBondContact O-N 3.37Å; V522-E525 VanDerWaalsContact O-N 3.09Å; L523-E525 PolarHBondContact O-N 3.48Å; E525-E527 PolarHBondContact O-N 3.3Å; E525-E527 VanDerWaalsContact O-N 3.14Å; E525-V528 HydrophobicContact CB-CG2 4.45Å; E525-V528 PolarHBondContact O-N 2.74Å; E525-I529 PolarHBondContact O-N 3.13Å |
| 526 | H | 83.8 | Confident | 87.9 | Confident | 68 Ų | 68 | 58.8 Ų | 58.8 | 32% | 0.315 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -54.2 | -34 | -175.8 | 79.4 | -70.8 | 0 | 0 | 0 | 114.3 | L523 R524 I529 Q530 | L523-H526 WeakPolarHBondContact O-CB 3.47Å; L523-H526 PolarHBondContact O-N 3.41Å; R524-H526 PolarHBondContact O-N 2.68Å; H526-I529 WeakPolarHBondContact O-CB 3.42Å; H526-I529 PolarHBondContact O-N 3.08Å; H526-Q530 WeakPolarHBondContact O-CG 3.33Å; H526-Q530 PolarHBondContact O-N 2.97Å |
| 527 | E | 83.5 | Confident | 87.2 | Confident | 126 Ų | 126 | 63.7 Ų | 63.7 | 59% | 0.589 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.1 | -46 | 177.9 | -59 | 178.3 | 175.9 | 0 | 0 | 110.6 | E525 I529 Q530 D531 | E525-E527 PolarHBondContact O-N 3.3Å; E525-E527 VanDerWaalsContact O-N 3.14Å; E527-I529 VanDerWaalsContact C-N 3.27Å; E527-I529 PolarHBondContact O-N 3.43Å; E527-Q530 WeakPolarHBondContact O-CB 3.32Å; E527-Q530 PolarHBondContact O-N 2.81Å; E527-Q530 VanDerWaalsContact O-N 3.16Å; E527-D531 VanDerWaalsContact O-CG 3.27Å; E527-D531 PolarHBondContact O-N 2.9Å |
| 528 | V | 85.3 | Confident | 86.5 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 13% | 0.127 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64 | -35.1 | 177 | -175.6 | 0 | 0 | 0 | 0 | 111.1 | L460 I463 K464 E525 L532 | L460-V528 HydrophobicContact CD2-CB 4.4Å; L460-V528 HydrophobicContact CD2-CG1 3.97Å; I463-V528 HydrophobicContact CG2-CG1 4.1Å; K464-V528 HydrophobicContact CB-CG1 4.44Å; K464-V528 HydrophobicContact CB-CG2 4.33Å; K464-V528 HydrophobicContact CD-CG2 4.22Å; K464-V528 HydrophobicContact CG-CG2 4.27Å; E525-V528 HydrophobicContact CB-CG2 4.45Å; E525-V528 PolarHBondContact O-N 2.74Å; V528-L532 WeakPolarHBondContact O-CB 3.46Å; V528-L532 PolarHBondContact O-N 3.48Å |
| 529 | I | 86 | Confident | 85.6 | Confident | 50 Ų | 50 | 69.1 Ų | 69.1 | 26% | 0.256 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66 | -44.7 | 175.5 | -62.4 | 171.5 | 0 | 0 | 0 | 110.3 | L460 V522 E525 H526 E527 L532 V533 | L460-I529 HydrophobicContact CD1-CD1 3.97Å; L460-I529 HydrophobicContact CD1-CG1 3.8Å; L460-I529 HydrophobicContact CD2-CG1 3.72Å; L460-I529 HydrophobicContact CG-CG1 4.43Å; V522-I529 HydrophobicContact CG1-CD1 4.15Å; E525-I529 PolarHBondContact O-N 3.13Å; H526-I529 WeakPolarHBondContact O-CB 3.42Å; H526-I529 PolarHBondContact O-N 3.08Å; E527-I529 VanDerWaalsContact C-N 3.27Å; E527-I529 PolarHBondContact O-N 3.43Å; I529-L532 PolarHBondContact O-N 2.9Å; I529-V533 HydrophobicContact CG2-CG2 4.43Å; I529-V533 VanDerWaalsContact O-CG2 3.31Å; I529-V533 WeakPolarHBondContact O-CG2 3.33Å; I529-V533 PolarHBondContact O-N 3.19Å |
| 530 | Q | 84.7 | Confident | 85.1 | Confident | 110 Ų | 110 | 68.9 Ų | 68.9 | 51% | 0.514 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.8 | -49.8 | 177.4 | -74.4 | 176.8 | -11 | 0 | 0 | 110.8 | H526 E527 L532 V533 E534 | H526-Q530 WeakPolarHBondContact O-CG 3.33Å; H526-Q530 PolarHBondContact O-N 2.97Å; E527-Q530 WeakPolarHBondContact O-CB 3.32Å; E527-Q530 PolarHBondContact O-N 2.81Å; E527-Q530 VanDerWaalsContact O-N 3.16Å; Q530-L532 VanDerWaalsContact C-N 3.27Å; Q530-L532 PolarHBondContact O-N 3.44Å; Q530-V533 PolarHBondContact O-N 2.79Å; Q530-V533 VanDerWaalsContact O-N 3.15Å; Q530-E534 WeakPolarHBondContact O-CG 3.35Å; Q530-E534 PolarHBondContact O-N 2.7Å |
| 531 | D | 83 | Confident | 84.5 | Confident | 41 Ų | 41 | 76.3 Ų | 76.3 | 22% | 0.219 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.7 | -35.8 | 179.4 | -57.7 | -29.8 | 0 | 0 | 0 | 111.9 | I469 E527 S535 | I469-D531 HydrophobicContact CG2-CB 3.26Å; E527-D531 VanDerWaalsContact O-CG 3.27Å; E527-D531 PolarHBondContact O-N 2.9Å; D531-S535 VanDerWaalsContact O-CB 3.27Å; D531-S535 WeakPolarHBondContact O-CB 3.31Å; D531-S535 PolarHBondContact O-N 3.46Å |
| 532 | L | 83.6 | Confident | 84 | Confident | 44 Ų | 44 | 79.8 Ų | 79.8 | 23% | 0.23 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 174.2 | 177 | 62.8 | 0 | 0 | 0 | 111.9 | I463 I469 V528 I529 Q530 S535 L536 | I463-L532 HydrophobicContact CD1-CD1 4.03Å; I463-L532 HydrophobicContact CD1-CD2 3.85Å; I469-L532 HydrophobicContact CD1-CD1 4.36Å; V528-L532 WeakPolarHBondContact O-CB 3.46Å; V528-L532 PolarHBondContact O-N 3.48Å; I529-L532 PolarHBondContact O-N 2.9Å; Q530-L532 VanDerWaalsContact C-N 3.27Å; Q530-L532 PolarHBondContact O-N 3.44Å; L532-S535 PolarHBondContact O-N 3.36Å; L532-L536 HydrophobicContact CD1-CD1 4.23Å; L532-L536 HydrophobicContact CD1-CG 4.26Å; L532-L536 HydrophobicContact CG-CD1 4.08Å; L532-L536 WeakPolarHBondContact O-CB 3.27Å; L532-L536 VanDerWaalsContact O-CG 3.3Å; L532-L536 WeakPolarHBondContact O-CG 3.23Å; L532-L536 PolarHBondContact O-N 2.96Å |
| 533 | V | 84.3 | Confident | 83.4 | Confident | 73 Ų | 73 | 84.5 Ų | 84.5 | 44% | 0.442 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 178.9 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | I529 Q530 S535 L536 L537 | I529-V533 HydrophobicContact CG2-CG2 4.43Å; I529-V533 VanDerWaalsContact O-CG2 3.31Å; I529-V533 WeakPolarHBondContact O-CG2 3.33Å; I529-V533 PolarHBondContact O-N 3.19Å; Q530-V533 PolarHBondContact O-N 2.79Å; Q530-V533 VanDerWaalsContact O-N 3.15Å; V533-S535 VanDerWaalsContact C-N 3.34Å; V533-S535 PolarHBondContact O-N 3.23Å; V533-L536 PolarHBondContact O-N 3.08Å; V533-L537 HydrophobicContact CG1-CD1 4.01Å; V533-L537 HydrophobicContact CG1-CG 4.41Å; V533-L537 VanDerWaalsContact O-CG 3.28Å; V533-L537 WeakPolarHBondContact O-CG 3.37Å; V533-L537 PolarHBondContact O-N 3.06Å |
| 534 | E | 83.8 | Confident | 82.9 | Confident | 128 Ų | 128 | 85.8 Ų | 85.8 | 60% | 0.598 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.3 | -45.9 | 175.2 | -72.2 | -175.1 | -176.3 | 0 | 0 | 111.2 | Q530 L536 L537 T538 | Q530-E534 WeakPolarHBondContact O-CG 3.35Å; Q530-E534 PolarHBondContact O-N 2.7Å; E534-L536 PolarHBondContact O-N 3.1Å; E534-L537 PolarHBondContact O-N 3.27Å; E534-T538 WeakPolarHBondContact O-CG2 3.31Å; E534-T538 PolarHBondContact O-N 3.36Å |
| 535 | S | 79.4 | Confident | 82.7 | Confident | 55 Ų | 55 | 85 Ų | 85 | 39% | 0.385 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 175.3 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | D531 L532 V533 L537 T538 F539 | D531-S535 VanDerWaalsContact O-CB 3.27Å; D531-S535 WeakPolarHBondContact O-CB 3.31Å; D531-S535 PolarHBondContact O-N 3.46Å; L532-S535 PolarHBondContact O-N 3.36Å; V533-S535 VanDerWaalsContact C-N 3.34Å; V533-S535 PolarHBondContact O-N 3.23Å; S535-L537 VanDerWaalsContact C-N 3.34Å; S535-L537 PolarHBondContact O-N 3.09Å; S535-T538 PolarHBondContact O-N 3.01Å; S535-T538 PolarHBondContact O-OG1 3.04Å; S535-F539 PolarHBondContact O-N 2.57Å |
| 536 | L | 78.1 | Confident | 82.6 | Confident | 87 Ų | 87 | 86.1 Ų | 86.1 | 46% | 0.455 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 177.5 | -74.3 | 171.5 | 0 | 0 | 0 | 112.8 | L532 V533 E534 T538 F539 F544 | L532-L536 HydrophobicContact CD1-CD1 4.23Å; L532-L536 HydrophobicContact CD1-CG 4.26Å; L532-L536 HydrophobicContact CG-CD1 4.08Å; L532-L536 WeakPolarHBondContact O-CB 3.27Å; L532-L536 VanDerWaalsContact O-CG 3.3Å; L532-L536 WeakPolarHBondContact O-CG 3.23Å; L532-L536 PolarHBondContact O-N 2.96Å; V533-L536 PolarHBondContact O-N 3.08Å; E534-L536 PolarHBondContact O-N 3.1Å; L536-T538 VanDerWaalsContact C-N 3.27Å; L536-T538 PolarHBondContact O-N 3.01Å; L536-F539 WeakPolarHBondContact O-CB 3.25Å; L536-F539 PolarHBondContact O-N 3.39Å; L536-F539 VanDerWaalsContact O-N 3.17Å; L536-F544 HydrophobicContact CD2-CE2 4.35Å |
| 537 | L | 80.9 | Confident | 82.5 | Confident | 125 Ų | 125 | 88.3 Ų | 88.3 | 65% | 0.654 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -67.8 | -27 | 177.1 | -72.2 | 171.6 | 0 | 0 | 0 | 112.8 | V533 E534 S535 F539 | V533-L537 HydrophobicContact CG1-CD1 4.01Å; V533-L537 HydrophobicContact CG1-CG 4.41Å; V533-L537 VanDerWaalsContact O-CG 3.28Å; V533-L537 WeakPolarHBondContact O-CG 3.37Å; V533-L537 PolarHBondContact O-N 3.06Å; E534-L537 PolarHBondContact O-N 3.27Å; S535-L537 VanDerWaalsContact C-N 3.34Å; S535-L537 PolarHBondContact O-N 3.09Å; L537-F539 VanDerWaalsContact C-N 3.34Å |
| 538 | T | 81.1 | Confident | 82.6 | Confident | 117 Ų | 117 | 86.9 Ų | 86.9 | 72% | 0.718 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -80.4 | -13.6 | 173.9 | 66.4 | 0 | 0 | 0 | 0 | 113.5 | E534 S535 L536 | E534-T538 WeakPolarHBondContact O-CG2 3.31Å; E534-T538 PolarHBondContact O-N 3.36Å; S535-T538 PolarHBondContact O-N 3.01Å; S535-T538 PolarHBondContact O-OG1 3.04Å; L536-T538 VanDerWaalsContact C-N 3.27Å; L536-T538 PolarHBondContact O-N 3.01Å |
| 539 | F | 76.8 | Confident | 82.7 | Confident | 83 Ų | 83 | 91.4 Ų | 91.4 | 36% | 0.364 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -73.9 | 139.9 | -178.9 | -155.7 | -95.5 | 0 | 0 | 0 | 111.2 | S535 L536 L537 R541 H543 F544 Y547 | S535-F539 PolarHBondContact O-N 2.57Å; L536-F539 WeakPolarHBondContact O-CB 3.25Å; L536-F539 PolarHBondContact O-N 3.39Å; L536-F539 VanDerWaalsContact O-N 3.17Å; L537-F539 VanDerWaalsContact C-N 3.34Å; F539-R541 PolarHBondContact O-N 3.09Å; F539-R541 VanDerWaalsContact O-N 3.11Å; F539-H543 HydrophobicContact CE1-CB 3.97Å; F539-F544 HydrophobicContact CD1-CB 4.14Å; F539-Y547 HydrophobicContact CE1-CE2 4.49Å |
| 540 | P | 84.6 | Confident | 82.6 | Confident | 66 Ų | 66 | 93.5 Ų | 93.5 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | trans | -60.8 | 119.2 | -179.3 | 20.9 | -31.6 | 0 | 0 | 0 | 111.8 | S542 H543 F544 | P540-S542 VanDerWaalsContact C-N 3.28Å; P540-S542 PolarHBondContact O-N 2.69Å; P540-H543 HydrophobicContact CG-CB 4.15Å; P540-H543 PolarHBondContact O-N 2.96Å; P540-H543 VanDerWaalsContact O-N 3.13Å; P540-F544 PolarHBondContact O-N 2.84Å; P540-F544 VanDerWaalsContact O-N 3.07Å | ||
| 541 | R | 81.8 | Confident | 82.7 | Confident | 202 Ų | 202 | 90.5 Ų | 90.5 | 76% | 0.762 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -56 | -37.6 | -173.5 | -68 | -176.9 | 175.3 | 136.8 | 0.4 | 113.6 | F539 F544 V545 | F539-R541 PolarHBondContact O-N 3.09Å; F539-R541 VanDerWaalsContact O-N 3.11Å; R541-F544 PolarHBondContact O-N 3.09Å; R541-V545 VanDerWaalsContact O-CG2 3.27Å; R541-V545 WeakPolarHBondContact O-CG2 3.04Å; R541-V545 PolarHBondContact O-N 2.98Å |
| 542 | S | 82.7 | Confident | 82.9 | Confident | 86 Ų | 86 | 92.4 Ų | 92.4 | 60% | 0.601 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | 178.7 | 53 | 0 | 0 | 0 | 0 | 112.5 | P540 A546 | P540-S542 VanDerWaalsContact C-N 3.28Å; P540-S542 PolarHBondContact O-N 2.69Å; S542-A546 WeakPolarHBondContact O-CB 3.43Å; S542-A546 PolarHBondContact O-N 3.46Å |
| 543 | H | 80.2 | Confident | 83.1 | Confident | 105 Ų | 105 | 96 Ų | 96 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 176.8 | -71.9 | -72.7 | 0 | 0 | 0 | 111.5 | F539 P540 A546 Y547 | F539-H543 HydrophobicContact CE1-CB 3.97Å; P540-H543 HydrophobicContact CG-CB 4.15Å; P540-H543 PolarHBondContact O-N 2.96Å; P540-H543 VanDerWaalsContact O-N 3.13Å; H543-A546 PolarHBondContact O-N 2.88Å; H543-Y547 HydrophobicContact CB-CE2 4.38Å; H543-Y547 WeakPolarHBondContact O-CD2 3.36Å; H543-Y547 PolarHBondContact O-N 3.49Å |
| 544 | F | 80.9 | Confident | 83.2 | Confident | 97 Ų | 97 | 93.1 Ų | 93.1 | 43% | 0.425 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.4 | -48.8 | 175.4 | -178.7 | -101.4 | 0 | 0 | 0 | 112 | L536 F539 P540 R541 A546 Y547 L548 | L536-F544 HydrophobicContact CD2-CE2 4.35Å; F539-F544 HydrophobicContact CD1-CB 4.14Å; P540-F544 PolarHBondContact O-N 2.84Å; P540-F544 VanDerWaalsContact O-N 3.07Å; R541-F544 PolarHBondContact O-N 3.09Å; F544-A546 VanDerWaalsContact C-N 3.35Å; F544-A546 PolarHBondContact O-N 3.3Å; F544-Y547 PolarHBondContact O-N 2.95Å; F544-L548 WeakPolarHBondContact O-CB 3.24Å; F544-L548 PolarHBondContact O-N 2.9Å |
| 545 | V | 85.2 | Confident | 83.4 | Confident | 77 Ų | 77 | 91.6 Ų | 91.6 | 47% | 0.467 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 176.9 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | R541 L548 L549 | R541-V545 VanDerWaalsContact O-CG2 3.27Å; R541-V545 WeakPolarHBondContact O-CG2 3.04Å; R541-V545 PolarHBondContact O-N 2.98Å; V545-L548 PolarHBondContact O-N 3.31Å; V545-L549 HydrophobicContact CG1-CD1 3.95Å; V545-L549 HydrophobicContact CG1-CG 4.36Å; V545-L549 WeakPolarHBondContact O-CB 3.42Å; V545-L549 VanDerWaalsContact O-CG 3.32Å; V545-L549 WeakPolarHBondContact O-CG 3.29Å; V545-L549 PolarHBondContact O-N 3.23Å |
| 546 | A | 84.6 | Confident | 83.9 | Confident | 48 Ų | 48 | 93.4 Ų | 93.4 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S542 H543 F544 L549 V550 | S542-A546 WeakPolarHBondContact O-CB 3.43Å; S542-A546 PolarHBondContact O-N 3.46Å; H543-A546 PolarHBondContact O-N 2.88Å; F544-A546 VanDerWaalsContact C-N 3.35Å; F544-A546 PolarHBondContact O-N 3.3Å; A546-L549 PolarHBondContact O-N 2.91Å; A546-V550 WeakPolarHBondContact O-CG2 3.25Å; A546-V550 PolarHBondContact O-N 2.73Å |
| 547 | Y | 82.3 | Confident | 84.4 | Confident | 114 Ų | 114 | 90.9 Ų | 90.9 | 45% | 0.447 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.7 | -48.2 | 174.9 | -79 | -61 | 0 | 0 | 0 | 111.2 | F539 H543 F544 L549 V550 F551 | F539-Y547 HydrophobicContact CE1-CE2 4.49Å; H543-Y547 HydrophobicContact CB-CE2 4.38Å; H543-Y547 WeakPolarHBondContact O-CD2 3.36Å; H543-Y547 PolarHBondContact O-N 3.49Å; F544-Y547 PolarHBondContact O-N 2.95Å; Y547-L549 VanDerWaalsContact C-N 3.33Å; Y547-L549 PolarHBondContact O-N 3.34Å; Y547-V550 PolarHBondContact O-N 2.93Å; Y547-F551 HydrophobicContact CD1-CE2 4.06Å; Y547-F551 WeakPolarHBondContact O-CD2 2.94Å; Y547-F551 PolarHBondContact O-N 2.86Å |
| 548 | L | 84.8 | Confident | 84.6 | Confident | 96 Ų | 96 | 85.3 Ų | 85.3 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.3 | -47.9 | 178.6 | -174.5 | 67.3 | 0 | 0 | 0 | 111.3 | F544 V545 V550 F551 T552 | F544-L548 WeakPolarHBondContact O-CB 3.24Å; F544-L548 PolarHBondContact O-N 2.9Å; V545-L548 PolarHBondContact O-N 3.31Å; L548-V550 PolarHBondContact O-N 3.12Å; L548-F551 PolarHBondContact O-N 3.29Å; L548-T552 WeakPolarHBondContact O-CB 3.41Å; L548-T552 PolarHBondContact O-N 2.92Å; L548-T552 PolarHBondContact O-OG1 2.82Å |
| 549 | L | 87.8 | Confident | 84.8 | Confident | 115 Ų | 115 | 82.4 Ų | 82.4 | 60% | 0.602 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -60.4 | -45.3 | 178.2 | -73.6 | 171.1 | 0 | 0 | 0 | 112.5 | V545 A546 Y547 T552 L553 | V545-L549 HydrophobicContact CG1-CD1 3.95Å; V545-L549 HydrophobicContact CG1-CG 4.36Å; V545-L549 WeakPolarHBondContact O-CB 3.42Å; V545-L549 VanDerWaalsContact O-CG 3.32Å; V545-L549 WeakPolarHBondContact O-CG 3.29Å; V545-L549 PolarHBondContact O-N 3.23Å; A546-L549 PolarHBondContact O-N 2.91Å; Y547-L549 VanDerWaalsContact C-N 3.33Å; Y547-L549 PolarHBondContact O-N 3.34Å; L549-T552 PolarHBondContact O-N 2.96Å; L549-L553 WeakPolarHBondContact O-CB 3.43Å; L549-L553 PolarHBondContact O-N 2.66Å |
| 550 | V | 85.1 | Confident | 85.2 | Confident | 94 Ų | 94 | 81 Ų | 81 | 57% | 0.57 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64 | -42.1 | 178.8 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | A546 Y547 L548 G554 | A546-V550 WeakPolarHBondContact O-CG2 3.25Å; A546-V550 PolarHBondContact O-N 2.73Å; Y547-V550 PolarHBondContact O-N 2.93Å; L548-V550 PolarHBondContact O-N 3.12Å; V550-G554 PolarHBondContact O-N 3.24Å |
| 551 | F | 84.8 | Confident | 85.2 | Confident | 48 Ų | 48 | 77.9 Ų | 77.9 | 21% | 0.211 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 177.5 | -74.7 | -62 | 0 | 0 | 0 | 112.3 | Y547 L548 L553 G554 I555 I784 F788 | Y547-F551 HydrophobicContact CD1-CE2 4.06Å; Y547-F551 WeakPolarHBondContact O-CD2 2.94Å; Y547-F551 PolarHBondContact O-N 2.86Å; L548-F551 PolarHBondContact O-N 3.29Å; F551-L553 PolarHBondContact O-N 3.46Å; F551-G554 PolarHBondContact O-N 3.06Å; F551-I555 WeakPolarHBondContact O-CB 3.39Å; F551-I555 VanDerWaalsContact O-CG1 3.29Å; F551-I555 WeakPolarHBondContact O-CG1 3.31Å; F551-I555 PolarHBondContact O-N 2.94Å; F551-I784 HydrophobicContact CE1-CG2 3.91Å; F551-I784 HydrophobicContact CE2-CG2 3.67Å; F551-I784 HydrophobicContact CZ-CB 4.21Å; F551-I784 HydrophobicContact CZ-CG2 3.24Å; F551-F788 HydrophobicContact CD1-CB 4.26Å; F551-F788 AromaticContact CD1-CD2 3.85Å; F551-F788 HydrophobicContact CD1-CD2 3.85Å; F551-F788 HydrophobicContact CD1-CE2 4.49Å; F551-F788 HydrophobicContact CD1-CG 4.09Å; F551-F788 HydrophobicContact CE1-CB 3.69Å; F551-F788 HydrophobicContact CE1-CD2 4.15Å; F551-F788 AromaticContact CE1-CG 3.91Å; F551-F788 HydrophobicContact CE1-CG 3.91Å |
| 552 | T | 87.9 | Confident | 84.7 | Confident | 81 Ų | 81 | 72 Ų | 72 | 50% | 0.497 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 175.9 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | L548 L549 G554 I555 E556 | L548-T552 WeakPolarHBondContact O-CB 3.41Å; L548-T552 PolarHBondContact O-N 2.92Å; L548-T552 PolarHBondContact O-OG1 2.82Å; L549-T552 PolarHBondContact O-N 2.96Å; T552-G554 VanDerWaalsContact C-N 3.33Å; T552-G554 PolarHBondContact O-N 3.42Å; T552-I555 PolarHBondContact O-N 3.21Å; T552-E556 WeakPolarHBondContact O-CB 3.27Å; T552-E556 PolarHBondContact O-N 3.28Å |
| 553 | L | 88.4 | Confident | 84.2 | Confident | 120 Ų | 120 | 71 Ų | 71 | 63% | 0.628 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.2 | -42.1 | 175.2 | -177.4 | 67.9 | 0 | 0 | 0 | 111.7 | L549 F551 E556 V557 | L549-L553 WeakPolarHBondContact O-CB 3.43Å; L549-L553 PolarHBondContact O-N 2.66Å; F551-L553 PolarHBondContact O-N 3.46Å; L553-E556 PolarHBondContact O-N 2.94Å; L553-V557 WeakPolarHBondContact O-CG2 3.49Å; L553-V557 PolarHBondContact O-N 3.37Å |
| 554 | G | 87.1 | Confident | 84.3 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 12% | 0.124 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V550 F551 T552 E556 V557 L558 | V550-G554 PolarHBondContact O-N 3.24Å; F551-G554 PolarHBondContact O-N 3.06Å; T552-G554 VanDerWaalsContact C-N 3.33Å; T552-G554 PolarHBondContact O-N 3.42Å; G554-E556 VanDerWaalsContact C-N 3.34Å; G554-V557 PolarHBondContact O-N 3.1Å; G554-L558 WeakPolarHBondContact O-CG 3.47Å; G554-L558 PolarHBondContact O-N 3.37Å; G554-L558 VanDerWaalsContact O-N 3.11Å |
| 555 | I | 87.3 | Confident | 84.3 | Confident | 96 Ų | 96 | 68.1 Ų | 68.1 | 49% | 0.492 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 174 | -68.9 | 167.6 | 0 | 0 | 0 | 110 | F551 T552 V557 L558 V559 | F551-I555 WeakPolarHBondContact O-CB 3.39Å; F551-I555 VanDerWaalsContact O-CG1 3.29Å; F551-I555 WeakPolarHBondContact O-CG1 3.31Å; F551-I555 PolarHBondContact O-N 2.94Å; T552-I555 PolarHBondContact O-N 3.21Å; I555-V557 VanDerWaalsContact C-N 3.32Å; I555-V557 PolarHBondContact O-N 3.21Å; I555-L558 CarbonylContact O-C 3.59Å; I555-L558 WeakPolarHBondContact O-CA 3.38Å; I555-L558 WeakPolarHBondContact O-CB 3.3Å; I555-L558 PolarHBondContact O-N 3.4Å; I555-V559 HydrophobicContact CG2-CG2 4.16Å; I555-V559 WeakPolarHBondContact O-CG2 3.37Å; I555-V559 PolarHBondContact O-N 3Å |
| 556 | E | 89.6 | Confident | 84.5 | Confident | 92 Ų | 92 | 70.2 Ų | 70.2 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 177.6 | -170.6 | 61.5 | -159.3 | 0 | 0 | 111.5 | T552 L553 G554 L558 V559 L560 | T552-E556 WeakPolarHBondContact O-CB 3.27Å; T552-E556 PolarHBondContact O-N 3.28Å; L553-E556 PolarHBondContact O-N 2.94Å; G554-E556 VanDerWaalsContact C-N 3.34Å; E556-L558 VanDerWaalsContact C-N 3.31Å; E556-L558 PolarHBondContact O-N 2.91Å; E556-V559 CarbonylContact O-C 3.51Å; E556-V559 PolarHBondContact O-N 2.85Å; E556-L560 HydrophobicContact CG-CD1 4.14Å; E556-L560 HydrophobicContact CG-CG 4.33Å; E556-L560 WeakPolarHBondContact O-CB 3.31Å; E556-L560 VanDerWaalsContact O-CG 3.24Å; E556-L560 WeakPolarHBondContact O-CG 3.33Å; E556-L560 PolarHBondContact O-N 3.49Å |
| 557 | V | 87.6 | Confident | 84.7 | Confident | 34 Ų | 34 | 69.8 Ų | 69.8 | 21% | 0.206 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 172.8 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | L553 G554 I555 S561 M567 | L553-V557 WeakPolarHBondContact O-CG2 3.49Å; L553-V557 PolarHBondContact O-N 3.37Å; G554-V557 PolarHBondContact O-N 3.1Å; I555-V557 VanDerWaalsContact C-N 3.32Å; I555-V557 PolarHBondContact O-N 3.21Å; V557-S561 WeakPolarHBondContact O-CB 3.21Å; V557-S561 PolarHBondContact O-N 3.22Å; V557-M567 HydrophobicContact CG1-CB 4.45Å; V557-M567 WeakPolarHBondContact CG1-O 3.26Å |
| 558 | L | 85.9 | Confident | 85 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 174.5 | -64.1 | 173.8 | 0 | 0 | 0 | 111.6 | G554 I555 E556 S561 F562 L568 F788 I791 L792 F795 | G554-L558 WeakPolarHBondContact O-CG 3.47Å; G554-L558 PolarHBondContact O-N 3.37Å; G554-L558 VanDerWaalsContact O-N 3.11Å; I555-L558 CarbonylContact O-C 3.59Å; I555-L558 WeakPolarHBondContact O-CA 3.38Å; I555-L558 WeakPolarHBondContact O-CB 3.3Å; I555-L558 PolarHBondContact O-N 3.4Å; E556-L558 VanDerWaalsContact C-N 3.31Å; E556-L558 PolarHBondContact O-N 2.91Å; L558-S561 WeakPolarHBondContact O-CB 3.47Å; L558-S561 PolarHBondContact O-N 3.35Å; L558-S561 PolarHBondContact O-OG 3.31Å; L558-F562 VanDerWaalsContact O-CD2 3.27Å; L558-F562 WeakPolarHBondContact O-CD2 3.1Å; L558-F562 PolarHBondContact O-N 3.23Å; L558-L568 HydrophobicContact CD2-CD2 4.42Å; L558-F788 HydrophobicContact CD1-CE2 4.49Å; L558-I791 HydrophobicContact CD1-CG2 3.58Å; L558-L792 HydrophobicContact CD2-CD1 3.77Å; L558-F795 HydrophobicContact CB-CD1 4.16Å; L558-F795 HydrophobicContact CB-CE1 3.87Å; L558-F795 HydrophobicContact CB-CZ 4.36Å; L558-F795 HydrophobicContact CD1-CE2 4.45Å; L558-F795 HydrophobicContact CD1-CZ 4.43Å; L558-F795 HydrophobicContact CD2-CB 4.04Å; L558-F795 HydrophobicContact CD2-CD1 3.81Å; L558-F795 HydrophobicContact CD2-CD2 4.34Å; L558-F795 HydrophobicContact CD2-CE1 4.3Å; L558-F795 HydrophobicContact CD2-CG 3.81Å; L558-F795 HydrophobicContact CG-CD1 4.46Å; L558-F795 HydrophobicContact CG-CE1 4.49Å |
| 559 | V | 85.2 | Confident | 85.4 | Confident | 56 Ų | 56 | 60.6 Ų | 60.6 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.4 | -48.7 | 174.1 | 173 | 0 | 0 | 0 | 0 | 110.4 | I555 E556 S561 F562 F563 | I555-V559 HydrophobicContact CG2-CG2 4.16Å; I555-V559 WeakPolarHBondContact O-CG2 3.37Å; I555-V559 PolarHBondContact O-N 3Å; E556-V559 CarbonylContact O-C 3.51Å; E556-V559 PolarHBondContact O-N 2.85Å; V559-S561 PolarHBondContact O-N 2.93Å; V559-F562 WeakPolarHBondContact O-CA 3.33Å; V559-F562 WeakPolarHBondContact O-CB 3.45Å; V559-F562 PolarHBondContact O-N 3.33Å; V559-F563 HydrophobicContact CG1-CE2 4.13Å |
| 560 | L | 85.3 | Confident | 85.6 | Confident | 55 Ų | 55 | 57.2 Ų | 57.2 | 29% | 0.288 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -26.7 | 175.4 | -69.3 | 173.7 | 0 | 0 | 0 | 112.3 | E556 F562 F563 Y564 M567 | E556-L560 HydrophobicContact CG-CD1 4.14Å; E556-L560 HydrophobicContact CG-CG 4.33Å; E556-L560 WeakPolarHBondContact O-CB 3.31Å; E556-L560 VanDerWaalsContact O-CG 3.24Å; E556-L560 WeakPolarHBondContact O-CG 3.33Å; E556-L560 PolarHBondContact O-N 3.49Å; L560-F562 PolarHBondContact O-N 3.11Å; L560-F563 HydrophobicContact CD2-CD2 4.4Å; L560-F563 CarbonylContact O-C 3.59Å; L560-F563 WeakPolarHBondContact O-CA 3.43Å; L560-F563 PolarHBondContact O-N 3.39Å; L560-Y564 PolarHBondContact O-N 3.03Å; L560-M567 HydrophobicContact CB-CB 4.44Å; L560-M567 HydrophobicContact CB-CG 3.88Å; L560-M567 HydrophobicContact CB-SD 4.32Å; L560-M567 HydrophobicContact CD1-SD 4.43Å |
| 561 | S | 84.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.7 | -19.4 | 171.4 | 86.9 | 0 | 0 | 0 | 0 | 113.5 | V557 L558 V559 F563 L799 Y804 | V557-S561 WeakPolarHBondContact O-CB 3.21Å; V557-S561 PolarHBondContact O-N 3.22Å; L558-S561 WeakPolarHBondContact O-CB 3.47Å; L558-S561 PolarHBondContact O-N 3.35Å; L558-S561 PolarHBondContact O-OG 3.31Å; V559-S561 PolarHBondContact O-N 2.93Å; S561-F563 PolarHBondContact O-N 3.29Å; S561-L799 WeakPolarHBondContact OG-CD1 3.26Å; S561-Y804 PolarHBondContact O-OH 2.89Å |
| 562 | F | 72.4 | Confident | 86.1 | Confident | 77 Ų | 77 | 51 Ų | 51 | 34% | 0.338 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -9.2 | 164.6 | -68.7 | -81.6 | 0 | 0 | 0 | 113.4 | L558 V559 L560 F795 L799 Y804 I807 | L558-F562 VanDerWaalsContact O-CD2 3.27Å; L558-F562 WeakPolarHBondContact O-CD2 3.1Å; L558-F562 PolarHBondContact O-N 3.23Å; V559-F562 WeakPolarHBondContact O-CA 3.33Å; V559-F562 WeakPolarHBondContact O-CB 3.45Å; V559-F562 PolarHBondContact O-N 3.33Å; L560-F562 PolarHBondContact O-N 3.11Å; F562-F795 HydrophobicContact CD2-CE1 4.48Å; F562-F795 HydrophobicContact CE2-CD1 4.41Å; F562-F795 AromaticContact CE2-CE1 3.49Å; F562-F795 HydrophobicContact CE2-CE1 3.49Å; F562-F795 VanDerWaalsContact CE2-CE1 3.49Å; F562-F795 HydrophobicContact CE2-CZ 4.24Å; F562-F795 HydrophobicContact CZ-CD1 4.47Å; F562-F795 AromaticContact CZ-CE1 3.69Å; F562-F795 HydrophobicContact CZ-CE1 3.69Å; F562-F795 HydrophobicContact CZ-CZ 4.32Å; F562-L799 HydrophobicContact CD1-CD2 4.36Å; F562-Y804 WeakPolarHBondContact CA-OH 3.3Å; F562-Y804 WeakPolarHBondContact O-CE1 3.49Å; F562-Y804 PolarHBondContact O-OH 3.31Å; F562-I807 WeakPolarHBondContact O-CG2 3.35Å |
| 563 | F | 72.3 | Confident | 86.4 | Confident | 65 Ų | 65 | 51.3 Ų | 51.3 | 29% | 0.285 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | -31.5 | 174.9 | -55.6 | -56.9 | 0 | 0 | 0 | 112.5 | V559 L560 S561 Y804 I807 L811 | V559-F563 HydrophobicContact CG1-CE2 4.13Å; L560-F563 HydrophobicContact CD2-CD2 4.4Å; L560-F563 CarbonylContact O-C 3.59Å; L560-F563 WeakPolarHBondContact O-CA 3.43Å; L560-F563 PolarHBondContact O-N 3.39Å; S561-F563 PolarHBondContact O-N 3.29Å; F563-Y804 VanDerWaalsContact O-CD1 3.3Å; F563-Y804 WeakPolarHBondContact O-CD1 3.3Å; F563-Y804 VanDerWaalsContact O-CE1 3.25Å; F563-Y804 WeakPolarHBondContact O-CE1 3.41Å; F563-I807 HydrophobicContact CD1-CG2 4.42Å; F563-L811 HydrophobicContact CD1-CD1 3.58Å; F563-L811 HydrophobicContact CD1-CG 4.21Å; F563-L811 HydrophobicContact CE1-CD1 3.07Å; F563-L811 HydrophobicContact CE1-CD2 3.99Å; F563-L811 HydrophobicContact CE1-CG 3.4Å; F563-L811 VanDerWaalsContact CE1-CG 3.4Å; F563-L811 HydrophobicContact CE2-CD1 4.29Å; F563-L811 HydrophobicContact CG-CD1 4.41Å; F563-L811 HydrophobicContact CZ-CD1 3.48Å; F563-L811 VanDerWaalsContact CZ-CD1 3.48Å; F563-L811 HydrophobicContact CZ-CD2 4.04Å; F563-L811 HydrophobicContact CZ-CG 3.94Å |
| 564 | Y | 81.8 | Confident | 86.5 | Confident | 102 Ų | 102 | 51 Ų | 51 | 40% | 0.4 | 26% | 0.262 | S | S | . | . | trans | -141.5 | 101.1 | -168.5 | -61.3 | -63.1 | 0 | 0 | 0 | 110.3 | L560 Y566 M567 | L560-Y564 PolarHBondContact O-N 3.03Å; Y564-Y566 VanDerWaalsContact CB-CE1 3.49Å; Y564-Y566 AromaticContact CD1-CE1 3.66Å; Y564-Y566 HydrophobicContact CD1-CE1 3.66Å; Y564-Y566 AromaticContact CD1-CZ 3.93Å; Y564-Y566 WeakPolarHBondContact CD1-OH 3.5Å; Y564-Y566 AromaticContact CG-CE1 3.85Å; Y564-Y566 HydrophobicContact CG-CE1 3.85Å; Y564-Y566 AromaticContact CG-CZ 3.87Å; Y564-Y566 PolarHBondContact O-N 3.22Å; Y564-M567 VanDerWaalsContact O-CB 3.23Å; Y564-M567 WeakPolarHBondContact O-CB 3.46Å; Y564-M567 WeakPolarHBondContact O-CG 3.43Å; Y564-M567 PolarHBondContact O-N 2.69Å | ||
| 565 | R | 81.7 | Confident | 86.6 | Confident | 40 Ų | 40 | 50.9 Ų | 50.9 | 15% | 0.151 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -35 | -178.7 | -66 | -170.3 | -68.7 | 166 | 16.7 | 113.9 | M567 L568 P606 M608 Y804 | R565-M567 PolarHBondContact O-N 3.37Å; R565-M567 VanDerWaalsContact O-N 3.14Å; R565-L568 WeakPolarHBondContact O-CB 3.28Å; R565-L568 PolarHBondContact O-N 2.6Å; R565-P606 HydrophobicContact CB-CB 4.37Å; R565-P606 WeakPolarHBondContact CB-O 3.39Å; R565-P606 VanDerWaalsContact O-CB 3.25Å; R565-P606 WeakPolarHBondContact O-CB 3.4Å; R565-M608 PolarHBondContact NH2-O 3.05Å; R565-Y804 VanDerWaalsContact CD-CD2 3.46Å; R565-Y804 HydrophobicContact CG-CD2 3.13Å; R565-Y804 HydrophobicContact CG-CE2 3.36Å; R565-Y804 HydrophobicContact CG-CG 3.8Å |
| 566 | Y | 87.5 | Confident | 86.8 | Confident | 121 Ų | 121 | 46.6 Ų | 46.6 | 48% | 0.475 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.3 | -13.2 | 179.4 | 64.3 | -93.1 | 0 | 0 | 0 | 113.4 | Y564 L568 T569 A570 | Y564-Y566 VanDerWaalsContact CB-CE1 3.49Å; Y564-Y566 AromaticContact CD1-CE1 3.66Å; Y564-Y566 HydrophobicContact CD1-CE1 3.66Å; Y564-Y566 AromaticContact CD1-CZ 3.93Å; Y564-Y566 WeakPolarHBondContact CD1-OH 3.5Å; Y564-Y566 AromaticContact CG-CE1 3.85Å; Y564-Y566 HydrophobicContact CG-CE1 3.85Å; Y564-Y566 AromaticContact CG-CZ 3.87Å; Y564-Y566 PolarHBondContact O-N 3.22Å; Y566-L568 VanDerWaalsContact C-N 3.31Å; Y566-T569 VanDerWaalsContact O-CB 3.3Å; Y566-T569 WeakPolarHBondContact O-CB 3.25Å; Y566-T569 PolarHBondContact O-N 3.24Å; Y566-A570 PolarHBondContact O-N 3.25Å; Y566-A570 VanDerWaalsContact O-N 3.07Å |
| 567 | M | 90.3 | Very high | 86.8 | Confident | 40 Ų | 40 | 43.3 Ų | 43.3 | 20% | 0.197 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -32.4 | 169.4 | -67.4 | -69.9 | 113.5 | 0 | 0 | 112.5 | V557 L560 Y564 R565 T569 A570 G571 | V557-M567 HydrophobicContact CG1-CB 4.45Å; V557-M567 WeakPolarHBondContact CG1-O 3.26Å; L560-M567 HydrophobicContact CB-CB 4.44Å; L560-M567 HydrophobicContact CB-CG 3.88Å; L560-M567 HydrophobicContact CB-SD 4.32Å; L560-M567 HydrophobicContact CD1-SD 4.43Å; Y564-M567 VanDerWaalsContact O-CB 3.23Å; Y564-M567 WeakPolarHBondContact O-CB 3.46Å; Y564-M567 WeakPolarHBondContact O-CG 3.43Å; Y564-M567 PolarHBondContact O-N 2.69Å; R565-M567 PolarHBondContact O-N 3.37Å; R565-M567 VanDerWaalsContact O-N 3.14Å; M567-T569 VanDerWaalsContact C-N 3.29Å; M567-T569 PolarHBondContact O-N 2.85Å; M567-A570 WeakPolarHBondContact O-CB 3.29Å; M567-A570 PolarHBondContact O-N 3.3Å; M567-G571 PolarHBondContact O-N 2.94Å |
| 568 | L | 89.1 | Confident | 86.8 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.1 | -38.4 | 171.2 | -67.2 | 179.5 | 0 | 0 | 0 | 111.4 | L558 R565 Y566 A570 G571 L572 P606 F795 P796 L799 | L558-L568 HydrophobicContact CD2-CD2 4.42Å; R565-L568 WeakPolarHBondContact O-CB 3.28Å; R565-L568 PolarHBondContact O-N 2.6Å; Y566-L568 VanDerWaalsContact C-N 3.31Å; L568-A570 VanDerWaalsContact C-N 3.34Å; L568-G571 PolarHBondContact O-N 2.89Å; L568-L572 WeakPolarHBondContact O-CB 3.43Å; L568-L572 VanDerWaalsContact O-CG 3.25Å; L568-L572 WeakPolarHBondContact O-CG 3.39Å; L568-L572 PolarHBondContact O-N 3.28Å; L568-P606 HydrophobicContact CB-CB 4.03Å; L568-P606 HydrophobicContact CB-CG 3.72Å; L568-P606 HydrophobicContact CD1-CB 4.45Å; L568-P606 HydrophobicContact CD1-CG 4.21Å; L568-F795 HydrophobicContact CD2-CB 4.2Å; L568-P796 HydrophobicContact CD1-CB 4.39Å; L568-P796 HydrophobicContact CD1-CG 4.3Å; L568-L799 HydrophobicContact CD1-CB 3.84Å; L568-L799 HydrophobicContact CD1-CD1 3.7Å; L568-L799 HydrophobicContact CD1-CG 4.4Å; L568-L799 HydrophobicContact CD2-CD1 4.17Å; L568-L799 HydrophobicContact CG-CD1 4.2Å |
| 569 | T | 91.8 | Very high | 86.7 | Confident | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.08 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 174.4 | -61.5 | 0 | 0 | 0 | 0 | 110.3 | Y566 M567 G571 L572 I573 A603 L607 | Y566-T569 VanDerWaalsContact O-CB 3.3Å; Y566-T569 WeakPolarHBondContact O-CB 3.25Å; Y566-T569 PolarHBondContact O-N 3.24Å; M567-T569 VanDerWaalsContact C-N 3.29Å; M567-T569 PolarHBondContact O-N 2.85Å; T569-G571 PolarHBondContact O-N 3.45Å; T569-L572 PolarHBondContact O-N 3.33Å; T569-I573 HydrophobicContact CG2-CD1 3.83Å; T569-I573 HydrophobicContact CG2-CG1 4.48Å; T569-I573 VanDerWaalsContact O-CG1 3.25Å; T569-I573 WeakPolarHBondContact O-CG1 3.44Å; T569-I573 PolarHBondContact O-N 3.47Å; T569-A603 WeakPolarHBondContact CB-O 3.24Å; T569-A603 HydrophobicContact CG2-CB 4.08Å; T569-A603 VanDerWaalsContact CG2-O 3.24Å; T569-A603 WeakPolarHBondContact CG2-O 3.38Å; T569-A603 PolarHBondContact OG1-O 3.42Å; T569-L607 HydrophobicContact CG2-CD1 4.05Å; T569-L607 HydrophobicContact CG2-CD2 4.28Å; T569-L607 HydrophobicContact CG2-CG 4.12Å; T569-L607 WeakPolarHBondContact OG1-CG 3.17Å |
| 570 | A | 91.6 | Very high | 86.5 | Confident | 44 Ų | 44 | 48.3 Ų | 48.3 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y566 M567 L568 L572 I573 V574 | Y566-A570 PolarHBondContact O-N 3.25Å; Y566-A570 VanDerWaalsContact O-N 3.07Å; M567-A570 WeakPolarHBondContact O-CB 3.29Å; M567-A570 PolarHBondContact O-N 3.3Å; L568-A570 VanDerWaalsContact C-N 3.34Å; A570-L572 PolarHBondContact O-N 3.04Å; A570-I573 PolarHBondContact O-N 3.32Å; A570-V574 WeakPolarHBondContact O-CG2 3.39Å; A570-V574 PolarHBondContact O-N 3.32Å; A570-V574 VanDerWaalsContact O-N 3.1Å |
| 571 | G | 90.4 | Very high | 86.2 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 12% | 0.124 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | M567 L568 T569 V574 F575 | M567-G571 PolarHBondContact O-N 2.94Å; L568-G571 PolarHBondContact O-N 2.89Å; T569-G571 PolarHBondContact O-N 3.45Å; G571-V574 PolarHBondContact O-N 2.92Å; G571-F575 VanDerWaalsContact O-CB 3.29Å; G571-F575 WeakPolarHBondContact O-CB 3.48Å; G571-F575 PolarHBondContact O-N 3.36Å |
| 572 | L | 91.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.3 | -29.2 | 178.7 | -72.6 | 170.2 | 0 | 0 | 0 | 113.1 | L568 T569 A570 F575 A576 L602 A603 P796 | L568-L572 WeakPolarHBondContact O-CB 3.43Å; L568-L572 VanDerWaalsContact O-CG 3.25Å; L568-L572 WeakPolarHBondContact O-CG 3.39Å; L568-L572 PolarHBondContact O-N 3.28Å; T569-L572 PolarHBondContact O-N 3.33Å; A570-L572 PolarHBondContact O-N 3.04Å; L572-F575 HydrophobicContact CD2-CD1 4.37Å; L572-F575 WeakPolarHBondContact O-CB 3.39Å; L572-F575 PolarHBondContact O-N 3.08Å; L572-A576 WeakPolarHBondContact O-CB 3.19Å; L572-A576 PolarHBondContact O-N 2.93Å; L572-L602 HydrophobicContact CD1-CB 4.37Å; L572-L602 HydrophobicContact CD1-CD2 4.24Å; L572-L602 HydrophobicContact CD1-CG 4.08Å; L572-L602 HydrophobicContact CD2-CD2 4.08Å; L572-A603 HydrophobicContact CB-CB 3.7Å; L572-A603 HydrophobicContact CD1-CB 4.27Å; L572-P796 HydrophobicContact CD1-CG 4.17Å |
| 573 | I | 93.2 | Very high | 86 | Confident | 88 Ų | 88 | 56.2 Ų | 56.2 | 45% | 0.451 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.6 | -45.9 | 172.1 | -70.3 | 164.8 | 0 | 0 | 0 | 110.3 | T569 A570 F575 A576 G577 L600 A603 | T569-I573 HydrophobicContact CG2-CD1 3.83Å; T569-I573 HydrophobicContact CG2-CG1 4.48Å; T569-I573 VanDerWaalsContact O-CG1 3.25Å; T569-I573 WeakPolarHBondContact O-CG1 3.44Å; T569-I573 PolarHBondContact O-N 3.47Å; A570-I573 PolarHBondContact O-N 3.32Å; I573-F575 VanDerWaalsContact C-N 3.26Å; I573-F575 PolarHBondContact O-N 3.25Å; I573-A576 WeakPolarHBondContact O-CB 3.45Å; I573-A576 PolarHBondContact O-N 3.07Å; I573-G577 PolarHBondContact O-N 3.45Å; I573-L600 HydrophobicContact CG1-CD2 3.99Å; I573-A603 HydrophobicContact CG1-CB 4.36Å |
| 574 | V | 90.3 | Very high | 86.2 | Confident | 114 Ų | 114 | 53.7 Ų | 53.7 | 69% | 0.691 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -60.4 | -41.3 | 174.6 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | A570 G571 G577 W578 | A570-V574 WeakPolarHBondContact O-CG2 3.39Å; A570-V574 PolarHBondContact O-N 3.32Å; A570-V574 VanDerWaalsContact O-N 3.1Å; G571-V574 PolarHBondContact O-N 2.92Å; V574-G577 WeakPolarHBondContact O-CA 3.25Å; V574-G577 PolarHBondContact O-N 3.13Å; V574-W578 PolarHBondContact O-N 2.98Å |
| 575 | F | 89.6 | Confident | 85.7 | Confident | 8 Ų | 8 | 55.5 Ų | 55.5 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62 | -40.4 | 175.4 | -177 | -106.4 | 0 | 0 | 0 | 113.6 | G571 L572 I573 G577 W578 W595 L739 F789 L792 L793 | G571-F575 VanDerWaalsContact O-CB 3.29Å; G571-F575 WeakPolarHBondContact O-CB 3.48Å; G571-F575 PolarHBondContact O-N 3.36Å; L572-F575 HydrophobicContact CD2-CD1 4.37Å; L572-F575 WeakPolarHBondContact O-CB 3.39Å; L572-F575 PolarHBondContact O-N 3.08Å; I573-F575 VanDerWaalsContact C-N 3.26Å; I573-F575 PolarHBondContact O-N 3.25Å; F575-G577 PolarHBondContact O-N 2.97Å; F575-W578 WeakPolarHBondContact O-CB 2.87Å; F575-W578 PolarHBondContact O-N 3.27Å; F575-W595 HydrophobicContact CD1-CH2 4.15Å; F575-W595 AromaticContact CD1-CZ2 3.6Å; F575-W595 HydrophobicContact CD1-CZ2 3.6Å; F575-W595 HydrophobicContact CD2-CZ2 4.06Å; F575-W595 AromaticContact CE1-CH2 3.25Å; F575-W595 HydrophobicContact CE1-CH2 3.25Å; F575-W595 AromaticContact CE1-CZ2 3.17Å; F575-W595 HydrophobicContact CE1-CZ2 3.17Å; F575-W595 HydrophobicContact CE1-CZ3 4.09Å; F575-W595 AromaticContact CE2-CH2 3.77Å; F575-W595 HydrophobicContact CE2-CH2 3.77Å; F575-W595 AromaticContact CE2-CZ2 3.71Å; F575-W595 HydrophobicContact CE2-CZ2 3.71Å; F575-W595 HydrophobicContact CG-CZ2 4.04Å; F575-W595 AromaticContact CZ-CH2 3.05Å; F575-W595 HydrophobicContact CZ-CH2 3.05Å; F575-W595 AromaticContact CZ-CZ2 3.27Å; F575-W595 HydrophobicContact CZ-CZ2 3.27Å; F575-W595 HydrophobicContact CZ-CZ3 4.1Å; F575-W595 PolarHBondContact O-NE1 3.37Å; F575-L739 HydrophobicContact CE1-CD2 4.35Å; F575-F789 HydrophobicContact CD2-CD1 4.04Å; F575-F789 HydrophobicContact CD2-CD2 4.49Å; F575-F789 AromaticContact CD2-CE1 4Å; F575-F789 HydrophobicContact CD2-CE1 4Å; F575-F789 HydrophobicContact CD2-CE2 4.45Å; F575-F789 HydrophobicContact CD2-CG 4.3Å; F575-F789 HydrophobicContact CD2-CZ 4.21Å; F575-F789 HydrophobicContact CE2-CB 3.83Å; F575-F789 AromaticContact CE2-CD1 3.59Å; F575-F789 HydrophobicContact CE2-CD1 3.59Å; F575-F789 AromaticContact CE2-CD2 3.58Å; F575-F789 HydrophobicContact CE2-CD2 3.58Å; F575-F789 AromaticContact CE2-CE1 3.92Å; F575-F789 HydrophobicContact CE2-CE1 3.92Å; F575-F789 AromaticContact CE2-CE2 3.9Å; F575-F789 HydrophobicContact CE2-CE2 3.9Å; F575-F789 AromaticContact CE2-CG 3.42Å; F575-F789 HydrophobicContact CE2-CG 3.42Å; F575-F789 VanDerWaalsContact CE2-CG 3.42Å; F575-F789 HydrophobicContact CE2-CZ 4.06Å; F575-F789 HydrophobicContact CZ-CB 4.35Å; F575-F789 HydrophobicContact CZ-CD2 4.18Å; F575-F789 HydrophobicContact CZ-CG 4.24Å; F575-L792 HydrophobicContact CB-CD2 3.79Å; F575-L792 HydrophobicContact CD2-CD2 3.58Å; F575-L792 HydrophobicContact CE2-CD2 4.19Å; F575-L792 HydrophobicContact CG-CD2 3.83Å; F575-L793 HydrophobicContact CE1-CD2 3.99Å; F575-L793 HydrophobicContact CZ-CD1 4.22Å; F575-L793 HydrophobicContact CZ-CD2 4.1Å; F575-L793 HydrophobicContact CZ-CG 4.11Å |
| 576 | A | 91.6 | Very high | 85.4 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 5% | 0.05 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.2 | -31.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L572 I573 P579 L600 | L572-A576 WeakPolarHBondContact O-CB 3.19Å; L572-A576 PolarHBondContact O-N 2.93Å; I573-A576 WeakPolarHBondContact O-CB 3.45Å; I573-A576 PolarHBondContact O-N 3.07Å; A576-P579 WeakPolarHBondContact O-CD 3.13Å; A576-L600 HydrophobicContact CB-CD2 4.16Å; A576-L600 HydrophobicContact CB-CG 4.1Å |
| 577 | G | 88.9 | Confident | 85.1 | Confident | 24 Ų | 24 | 58.4 Ų | 58.4 | 25% | 0.247 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -78.3 | -14.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | I573 V574 F575 F580 | I573-G577 PolarHBondContact O-N 3.45Å; V574-G577 WeakPolarHBondContact O-CA 3.25Å; V574-G577 PolarHBondContact O-N 3.13Å; F575-G577 PolarHBondContact O-N 2.97Å; G577-F580 WeakPolarHBondContact O-CB 3.35Å; G577-F580 WeakPolarHBondContact O-CD2 3.34Å; G577-F580 PolarHBondContact O-N 3.11Å; G577-F580 VanDerWaalsContact O-N 3.08Å |
| 578 | W | 87.3 | Confident | 84.7 | Confident | 76 Ų | 76 | 57 Ų | 57 | 29% | 0.288 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -51.8 | -46.3 | -174.3 | 166.3 | -114.5 | 0 | 0 | 0 | 114.4 | V574 F575 F580 L581 T582 R785 F789 | V574-W578 PolarHBondContact O-N 2.98Å; F575-W578 WeakPolarHBondContact O-CB 2.87Å; F575-W578 PolarHBondContact O-N 3.27Å; W578-F580 PolarHBondContact O-N 3.17Å; W578-F580 VanDerWaalsContact O-N 3.09Å; W578-L581 HydrophobicContact CE3-CB 4.26Å; W578-L581 HydrophobicContact CE3-CD1 3.91Å; W578-L581 HydrophobicContact CZ3-CB 4.14Å; W578-L581 HydrophobicContact CZ3-CD1 3.97Å; W578-L581 WeakPolarHBondContact O-CB 3.37Å; W578-L581 PolarHBondContact O-N 2.95Å; W578-T582 HydrophobicContact CH2-CG2 4.35Å; W578-T582 HydrophobicContact CZ2-CG2 3.78Å; W578-R785 VanDerWaalsContact CZ2-CD 3.44Å; W578-F789 HydrophobicContact CB-CZ 4.21Å; W578-F789 AromaticContact CD1-CE2 3.68Å; W578-F789 AromaticContact CD1-CZ 3.55Å; W578-F789 HydrophobicContact CD2-CZ 4.15Å; W578-F789 HydrophobicContact CG-CE2 4.27Å; W578-F789 AromaticContact CG-CZ 3.69Å; W578-F789 HydrophobicContact CG-CZ 3.69Å; W578-F789 AromaticContact NE1-CZ 3.9Å |
| 579 | P | 84.9 | Confident | 84.5 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -64 | -18.4 | -177.1 | -24.7 | 35.7 | 0 | 0 | 0 | 115 | A576 L581 T582 L584 F592 W595 | A576-P579 WeakPolarHBondContact O-CD 3.13Å; P579-L581 PolarHBondContact O-N 3.26Å; P579-T582 WeakPolarHBondContact CA-OG1 3.26Å; P579-T582 PolarHBondContact O-N 2.82Å; P579-T582 VanDerWaalsContact O-O 3.08Å; P579-T582 PolarHBondContact O-OG1 3.22Å; P579-L584 HydrophobicContact CB-CB 4.4Å; P579-L584 HydrophobicContact CB-CD1 4.27Å; P579-F592 HydrophobicContact CB-CD2 3.49Å; P579-F592 VanDerWaalsContact CB-CD2 3.49Å; P579-F592 HydrophobicContact CB-CE2 3.82Å; P579-F592 HydrophobicContact CG-CD2 4.06Å; P579-F592 HydrophobicContact CG-CE2 4.35Å; P579-W595 VanDerWaalsContact CG-CD1 3.45Å; P579-W595 HydrophobicContact CG-CG 4.08Å |
| 580 | F | 80.6 | Confident | 84.2 | Confident | 126 Ų | 126 | 69.5 Ų | 69.5 | 55% | 0.553 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -65 | -25.6 | 173.6 | -71.2 | -78.8 | 0 | 0 | 0 | 112.4 | G577 W578 T582 F592 | G577-F580 WeakPolarHBondContact O-CB 3.35Å; G577-F580 WeakPolarHBondContact O-CD2 3.34Å; G577-F580 PolarHBondContact O-N 3.11Å; G577-F580 VanDerWaalsContact O-N 3.08Å; W578-F580 PolarHBondContact O-N 3.17Å; W578-F580 VanDerWaalsContact O-N 3.09Å; F580-T582 PolarHBondContact O-N 2.96Å; F580-F592 HydrophobicContact CD1-CZ 4.11Å; F580-F592 HydrophobicContact CD2-CE2 4.19Å; F580-F592 HydrophobicContact CD2-CZ 4.21Å; F580-F592 HydrophobicContact CE1-CE1 4.37Å; F580-F592 HydrophobicContact CE1-CE2 4.4Å; F580-F592 AromaticContact CE1-CZ 3.61Å; F580-F592 HydrophobicContact CE1-CZ 3.61Å; F580-F592 HydrophobicContact CE2-CE2 4.07Å; F580-F592 AromaticContact CE2-CZ 3.72Å; F580-F592 HydrophobicContact CE2-CZ 3.72Å; F580-F592 HydrophobicContact CG-CE2 4.43Å; F580-F592 HydrophobicContact CG-CZ 4.41Å; F580-F592 HydrophobicContact CZ-CE1 4.36Å; F580-F592 HydrophobicContact CZ-CE2 4.21Å; F580-F592 AromaticContact CZ-CZ 3.43Å; F580-F592 HydrophobicContact CZ-CZ 3.43Å; F580-F592 VanDerWaalsContact CZ-CZ 3.43Å |
| 581 | L | 79.4 | Confident | 84 | Confident | 140 Ų | 140 | 68.4 Ų | 68.4 | 73% | 0.733 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -81.1 | 1.4 | 174.6 | -56.9 | 177 | 0 | 0 | 0 | 112.3 | W578 P579 | W578-L581 HydrophobicContact CE3-CB 4.26Å; W578-L581 HydrophobicContact CE3-CD1 3.91Å; W578-L581 HydrophobicContact CZ3-CB 4.14Å; W578-L581 HydrophobicContact CZ3-CD1 3.97Å; W578-L581 WeakPolarHBondContact O-CB 3.37Å; W578-L581 PolarHBondContact O-N 2.95Å; P579-L581 PolarHBondContact O-N 3.26Å |
| 582 | T | 77.3 | Confident | 83.8 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -125.2 | 165.1 | -176.8 | 74.5 | 0 | 0 | 0 | 0 | 111.6 | W578 P579 F580 L584 | W578-T582 HydrophobicContact CH2-CG2 4.35Å; W578-T582 HydrophobicContact CZ2-CG2 3.78Å; P579-T582 WeakPolarHBondContact CA-OG1 3.26Å; P579-T582 PolarHBondContact O-N 2.82Å; P579-T582 VanDerWaalsContact O-O 3.08Å; P579-T582 PolarHBondContact O-OG1 3.22Å; F580-T582 PolarHBondContact O-N 2.96Å; T582-L584 PolarHBondContact O-N 3.29Å; T582-L584 VanDerWaalsContact O-N 3.13Å; T582-L584 WeakPolarHBondContact OG1-CB 3.27Å; T582-L584 WeakPolarHBondContact OG1-CD1 3.21Å; T582-L584 WeakPolarHBondContact OG1-CG 3.08Å; T582-L584 PolarHBondContact OG1-N 3.43Å |
| 583 | Q | 75.7 | Confident | 83.7 | Confident | 125 Ų | 125 | 74 Ų | 74 | 58% | 0.584 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -4.2 | 176.3 | -64.8 | -175.5 | 4.2 | 0 | 0 | 113.7 | W585 T586 R587 | Q583-W585 VanDerWaalsContact C-N 3.27Å; Q583-W585 PolarHBondContact O-N 2.61Å; Q583-T586 PolarHBondContact O-N 3.12Å; Q583-T586 VanDerWaalsContact O-N 3.16Å; Q583-T586 PolarHBondContact O-OG1 3.42Å; Q583-R587 PolarHBondContact O-N 3.31Å |
| 584 | L | 75.4 | Confident | 83.6 | Confident | 13 Ų | 13 | 71.6 Ų | 71.6 | 7% | 0.068 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59.6 | -33.9 | -178.3 | -70.2 | 170.1 | 0 | 0 | 0 | 113.4 | P579 T582 T586 R587 A588 V746 E749 T750 | P579-L584 HydrophobicContact CB-CB 4.4Å; P579-L584 HydrophobicContact CB-CD1 4.27Å; T582-L584 PolarHBondContact O-N 3.29Å; T582-L584 VanDerWaalsContact O-N 3.13Å; T582-L584 WeakPolarHBondContact OG1-CB 3.27Å; T582-L584 WeakPolarHBondContact OG1-CD1 3.21Å; T582-L584 WeakPolarHBondContact OG1-CG 3.08Å; T582-L584 PolarHBondContact OG1-N 3.43Å; L584-T586 PolarHBondContact O-N 3.36Å; L584-R587 PolarHBondContact O-N 3.23Å; L584-A588 PolarHBondContact O-N 2.99Å; L584-V746 HydrophobicContact CD1-CG1 3.81Å; L584-E749 HydrophobicContact CD2-CB 3.77Å; L584-T750 HydrophobicContact CD1-CG2 3.42Å; L584-T750 VanDerWaalsContact CD1-CG2 3.42Å; L584-T750 HydrophobicContact CD2-CG2 3.85Å; L584-T750 HydrophobicContact CG-CG2 3.84Å |
| 585 | W | 71.4 | Confident | 83.8 | Confident | 140 Ų | 140 | 66.2 Ų | 66.2 | 53% | 0.53 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.9 | -26.3 | -179.3 | 109.6 | -83.6 | 0 | 0 | 0 | 112.4 | Q583 | Q583-W585 VanDerWaalsContact C-N 3.27Å; Q583-W585 PolarHBondContact O-N 2.61Å |
| 586 | T | 76.1 | Confident | 83.9 | Confident | 84 Ų | 84 | 66.6 Ų | 66.6 | 52% | 0.515 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -91.3 | -39.4 | 176 | 62.9 | 0 | 0 | 0 | 0 | 113 | Q583 L584 | Q583-T586 PolarHBondContact O-N 3.12Å; Q583-T586 VanDerWaalsContact O-N 3.16Å; Q583-T586 PolarHBondContact O-OG1 3.42Å; L584-T586 PolarHBondContact O-N 3.36Å |
| 587 | R | 79.9 | Confident | 84.1 | Confident | 137 Ų | 137 | 72 Ų | 72 | 52% | 0.517 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -84.6 | -35.7 | -170.7 | -65.6 | -179.5 | -179.2 | -165.9 | -0.7 | 114.2 | Q583 L584 Q752 | Q583-R587 PolarHBondContact O-N 3.31Å; L584-R587 PolarHBondContact O-N 3.23Å; R587-Q752 PolarHBondContact NH1-O 3.45Å |
| 588 | A | 82.1 | Confident | 84.4 | Confident | 12 Ų | 12 | 73 Ų | 73 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | trans | -137.4 | 63.9 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L584 I590 T591 F592 E749 | L584-A588 PolarHBondContact O-N 2.99Å; A588-I590 VanDerWaalsContact C-N 3.32Å; A588-I590 PolarHBondContact O-N 2.79Å; A588-T591 PolarHBondContact O-N 3.33Å; A588-F592 WeakPolarHBondContact O-CB 3.44Å; A588-F592 PolarHBondContact O-N 3.02Å; A588-E749 HydrophobicContact CB-CB 4.46Å; A588-E749 HydrophobicContact CB-CG 4.19Å | ||
| 589 | K | 84.8 | Confident | 84.7 | Confident | 140 Ų | 140 | 69.4 Ų | 69.4 | 61% | 0.609 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -54.1 | -41.2 | -174.5 | -68.4 | -176.4 | 179.1 | -178.8 | 0 | 114.1 | L593 | K589-L593 WeakPolarHBondContact O-CB 3.39Å; K589-L593 VanDerWaalsContact O-CG 3.25Å; K589-L593 WeakPolarHBondContact O-CG 3.5Å; K589-L593 PolarHBondContact O-N 3.02Å |
| 590 | I | 86.7 | Confident | 85.2 | Confident | 137 Ų | 137 | 73.4 Ų | 73.4 | 70% | 0.703 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.2 | -51.2 | -178.7 | -62.3 | 173.7 | 0 | 0 | 0 | 110.3 | A588 F592 L593 S594 | A588-I590 VanDerWaalsContact C-N 3.32Å; A588-I590 PolarHBondContact O-N 2.79Å; I590-F592 VanDerWaalsContact C-N 3.26Å; I590-F592 PolarHBondContact O-N 2.83Å; I590-L593 PolarHBondContact O-N 3.42Å; I590-S594 WeakPolarHBondContact O-CB 3.49Å; I590-S594 PolarHBondContact O-N 3.37Å; I590-S594 PolarHBondContact O-OG 3.25Å; I590-S594 VanDerWaalsContact O-OG 3.09Å |
| 591 | T | 86.3 | Confident | 85.8 | Confident | 22 Ų | 22 | 70.4 Ų | 70.4 | 14% | 0.135 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 178.2 | -45.7 | 0 | 0 | 0 | 0 | 111.3 | A588 S594 W595 Q745 V746 | A588-T591 PolarHBondContact O-N 3.33Å; T591-S594 PolarHBondContact O-N 3Å; T591-W595 PolarHBondContact O-N 2.71Å; T591-Q745 HydrophobicContact CG2-CB 3.89Å; T591-V746 HydrophobicContact CG2-CG2 3.66Å |
| 592 | F | 86.6 | Confident | 86.5 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 8% | 0.083 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -52.1 | 174.4 | 165.6 | -108.5 | 0 | 0 | 0 | 112.8 | P579 F580 A588 I590 S594 W595 A596 | P579-F592 HydrophobicContact CB-CD2 3.49Å; P579-F592 VanDerWaalsContact CB-CD2 3.49Å; P579-F592 HydrophobicContact CB-CE2 3.82Å; P579-F592 HydrophobicContact CG-CD2 4.06Å; P579-F592 HydrophobicContact CG-CE2 4.35Å; F580-F592 HydrophobicContact CD1-CZ 4.11Å; F580-F592 HydrophobicContact CD2-CE2 4.19Å; F580-F592 HydrophobicContact CD2-CZ 4.21Å; F580-F592 HydrophobicContact CE1-CE1 4.37Å; F580-F592 HydrophobicContact CE1-CE2 4.4Å; F580-F592 AromaticContact CE1-CZ 3.61Å; F580-F592 HydrophobicContact CE1-CZ 3.61Å; F580-F592 HydrophobicContact CE2-CE2 4.07Å; F580-F592 AromaticContact CE2-CZ 3.72Å; F580-F592 HydrophobicContact CE2-CZ 3.72Å; F580-F592 HydrophobicContact CG-CE2 4.43Å; F580-F592 HydrophobicContact CG-CZ 4.41Å; F580-F592 HydrophobicContact CZ-CE1 4.36Å; F580-F592 HydrophobicContact CZ-CE2 4.21Å; F580-F592 AromaticContact CZ-CZ 3.43Å; F580-F592 HydrophobicContact CZ-CZ 3.43Å; F580-F592 VanDerWaalsContact CZ-CZ 3.43Å; A588-F592 WeakPolarHBondContact O-CB 3.44Å; A588-F592 PolarHBondContact O-N 3.02Å; I590-F592 VanDerWaalsContact C-N 3.26Å; I590-F592 PolarHBondContact O-N 2.83Å; F592-S594 VanDerWaalsContact C-N 3.29Å; F592-S594 PolarHBondContact O-N 2.94Å; F592-W595 WeakPolarHBondContact O-CB 3.46Å; F592-W595 PolarHBondContact O-N 3.44Å; F592-A596 PolarHBondContact O-N 2.98Å |
| 593 | L | 90 | Very high | 87.2 | Confident | 111 Ų | 111 | 62.4 Ų | 62.4 | 58% | 0.581 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.5 | -38.7 | 179.5 | -73 | 170.7 | 0 | 0 | 0 | 111.4 | K589 I590 F597 | K589-L593 WeakPolarHBondContact O-CB 3.39Å; K589-L593 VanDerWaalsContact O-CG 3.25Å; K589-L593 WeakPolarHBondContact O-CG 3.5Å; K589-L593 PolarHBondContact O-N 3.02Å; I590-L593 PolarHBondContact O-N 3.42Å; L593-F597 VanDerWaalsContact O-CB 3.24Å; L593-F597 WeakPolarHBondContact O-CB 3.46Å; L593-F597 PolarHBondContact O-N 2.88Å |
| 594 | S | 91.6 | Very high | 88 | Confident | 37 Ų | 37 | 59.8 Ų | 59.8 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 174.6 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | I590 T591 F592 F597 F598 | I590-S594 WeakPolarHBondContact O-CB 3.49Å; I590-S594 PolarHBondContact O-N 3.37Å; I590-S594 PolarHBondContact O-OG 3.25Å; I590-S594 VanDerWaalsContact O-OG 3.09Å; T591-S594 PolarHBondContact O-N 3Å; F592-S594 VanDerWaalsContact C-N 3.29Å; F592-S594 PolarHBondContact O-N 2.94Å; S594-F597 PolarHBondContact O-N 3.15Å; S594-F598 VanDerWaalsContact O-CD2 3.24Å; S594-F598 WeakPolarHBondContact O-CD2 3.42Å; S594-F598 PolarHBondContact O-N 2.97Å |
| 595 | W | 92.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.1 | -51.4 | 176.1 | 170.1 | -92 | 0 | 0 | 0 | 111.7 | F575 P579 T591 F592 F597 S599 L739 V742 W743 V746 F789 | F575-W595 HydrophobicContact CD1-CH2 4.15Å; F575-W595 AromaticContact CD1-CZ2 3.6Å; F575-W595 HydrophobicContact CD1-CZ2 3.6Å; F575-W595 HydrophobicContact CD2-CZ2 4.06Å; F575-W595 AromaticContact CE1-CH2 3.25Å; F575-W595 HydrophobicContact CE1-CH2 3.25Å; F575-W595 AromaticContact CE1-CZ2 3.17Å; F575-W595 HydrophobicContact CE1-CZ2 3.17Å; F575-W595 HydrophobicContact CE1-CZ3 4.09Å; F575-W595 AromaticContact CE2-CH2 3.77Å; F575-W595 HydrophobicContact CE2-CH2 3.77Å; F575-W595 AromaticContact CE2-CZ2 3.71Å; F575-W595 HydrophobicContact CE2-CZ2 3.71Å; F575-W595 HydrophobicContact CG-CZ2 4.04Å; F575-W595 AromaticContact CZ-CH2 3.05Å; F575-W595 HydrophobicContact CZ-CH2 3.05Å; F575-W595 AromaticContact CZ-CZ2 3.27Å; F575-W595 HydrophobicContact CZ-CZ2 3.27Å; F575-W595 HydrophobicContact CZ-CZ3 4.1Å; F575-W595 PolarHBondContact O-NE1 3.37Å; P579-W595 VanDerWaalsContact CG-CD1 3.45Å; P579-W595 HydrophobicContact CG-CG 4.08Å; T591-W595 PolarHBondContact O-N 2.71Å; F592-W595 WeakPolarHBondContact O-CB 3.46Å; F592-W595 PolarHBondContact O-N 3.44Å; W595-F597 VanDerWaalsContact C-N 3.34Å; W595-F597 PolarHBondContact O-N 3.12Å; W595-S599 VanDerWaalsContact O-CB 3.23Å; W595-S599 WeakPolarHBondContact O-CB 3.49Å; W595-S599 PolarHBondContact O-N 2.84Å; W595-S599 PolarHBondContact O-OG 3.45Å; W595-L739 HydrophobicContact CD2-CD1 4.35Å; W595-L739 HydrophobicContact CE3-CD1 3.82Å; W595-L739 HydrophobicContact CZ3-CD1 4.09Å; W595-V742 HydrophobicContact CB-CG1 3.97Å; W595-V742 HydrophobicContact CE3-CG1 4.42Å; W595-W743 HydrophobicContact CH2-CG 4.34Å; W595-W743 HydrophobicContact CZ3-CB 3.74Å; W595-W743 AromaticContact CZ3-CD1 3.78Å; W595-W743 AromaticContact CZ3-CG 3.84Å; W595-W743 HydrophobicContact CZ3-CG 3.84Å; W595-V746 HydrophobicContact CB-CG2 4.19Å; W595-V746 HydrophobicContact CD2-CG2 4.45Å; W595-V746 HydrophobicContact CE3-CG2 4.09Å; W595-F789 HydrophobicContact CH2-CD2 4.25Å; W595-F789 HydrophobicContact CH2-CE2 4.29Å; W595-F789 HydrophobicContact CZ2-CE2 4.31Å |
| 596 | A | 93.1 | Very high | 89.4 | Confident | 17 Ų | 17 | 54 Ų | 54 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.5 | -45.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F592 S599 L600 | F592-A596 PolarHBondContact O-N 2.98Å; A596-S599 PolarHBondContact O-N 3.49Å; A596-L600 WeakPolarHBondContact O-CB 3.36Å; A596-L600 VanDerWaalsContact O-CG 3.24Å; A596-L600 WeakPolarHBondContact O-CG 3.23Å; A596-L600 PolarHBondContact O-N 2.91Å |
| 597 | F | 94.9 | Very high | 89.9 | Confident | 120 Ų | 120 | 54.9 Ų | 54.9 | 53% | 0.526 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.6 | -54.2 | 178.6 | 176 | -101 | 0 | 0 | 0 | 112.5 | L593 S594 W595 S599 L600 L601 | L593-F597 VanDerWaalsContact O-CB 3.24Å; L593-F597 WeakPolarHBondContact O-CB 3.46Å; L593-F597 PolarHBondContact O-N 2.88Å; S594-F597 PolarHBondContact O-N 3.15Å; W595-F597 VanDerWaalsContact C-N 3.34Å; W595-F597 PolarHBondContact O-N 3.12Å; F597-S599 VanDerWaalsContact C-N 3.35Å; F597-S599 PolarHBondContact O-N 3.16Å; F597-L600 PolarHBondContact O-N 3.48Å; F597-L601 HydrophobicContact CE1-CD2 4.13Å; F597-L601 HydrophobicContact CZ-CD2 4.26Å; F597-L601 WeakPolarHBondContact O-CB 3.37Å; F597-L601 PolarHBondContact O-N 3.13Å |
| 598 | F | 95.1 | Very high | 90 | Very high | 45 Ų | 45 | 51.1 Ų | 51.1 | 20% | 0.197 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.6 | -30.4 | -177.7 | -73.7 | -64.5 | 0 | 0 | 0 | 112.8 | S594 L601 L602 V735 C738 L739 V742 | S594-F598 VanDerWaalsContact O-CD2 3.24Å; S594-F598 WeakPolarHBondContact O-CD2 3.42Å; S594-F598 PolarHBondContact O-N 2.97Å; F598-L601 HydrophobicContact CD1-CD2 4.38Å; F598-L602 WeakPolarHBondContact O-CB 3.24Å; F598-L602 PolarHBondContact O-N 3.33Å; F598-V735 HydrophobicContact CD1-CG1 4.42Å; F598-C738 HydrophobicContact CD1-CB 3.76Å; F598-C738 HydrophobicContact CD2-CB 4.24Å; F598-C738 HydrophobicContact CE1-CB 3.51Å; F598-C738 HydrophobicContact CE2-CB 4.02Å; F598-C738 HydrophobicContact CG-CB 4.14Å; F598-C738 HydrophobicContact CZ-CB 3.66Å; F598-L739 HydrophobicContact CB-CB 3.98Å; F598-L739 HydrophobicContact CB-CD1 3.99Å; F598-V742 HydrophobicContact CD2-CG2 4Å; F598-V742 HydrophobicContact CE2-CG2 4.25Å |
| 599 | S | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 173.8 | -60 | 0 | 0 | 0 | 0 | 111.6 | W595 A596 F597 L602 A603 L739 | W595-S599 VanDerWaalsContact O-CB 3.23Å; W595-S599 WeakPolarHBondContact O-CB 3.49Å; W595-S599 PolarHBondContact O-N 2.84Å; W595-S599 PolarHBondContact O-OG 3.45Å; A596-S599 PolarHBondContact O-N 3.49Å; F597-S599 VanDerWaalsContact C-N 3.35Å; F597-S599 PolarHBondContact O-N 3.16Å; S599-L602 PolarHBondContact O-N 2.88Å; S599-A603 WeakPolarHBondContact O-CB 3.07Å; S599-A603 PolarHBondContact O-N 3.38Å; S599-L739 WeakPolarHBondContact OG-CD1 3.21Å |
| 600 | L | 94.9 | Very high | 89 | Confident | 85 Ų | 85 | 48.6 Ų | 48.6 | 45% | 0.445 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.2 | -38.2 | 176.4 | -69.4 | 172.9 | 0 | 0 | 0 | 111.9 | I573 A576 A596 F597 L602 A603 V604 | I573-L600 HydrophobicContact CG1-CD2 3.99Å; A576-L600 HydrophobicContact CB-CD2 4.16Å; A576-L600 HydrophobicContact CB-CG 4.1Å; A596-L600 WeakPolarHBondContact O-CB 3.36Å; A596-L600 VanDerWaalsContact O-CG 3.24Å; A596-L600 WeakPolarHBondContact O-CG 3.23Å; A596-L600 PolarHBondContact O-N 2.91Å; F597-L600 PolarHBondContact O-N 3.48Å; L600-L602 VanDerWaalsContact C-N 3.32Å; L600-L602 PolarHBondContact O-N 2.91Å; L600-A603 WeakPolarHBondContact O-CB 3.36Å; L600-A603 PolarHBondContact O-N 3.34Å; L600-A603 VanDerWaalsContact O-N 3.17Å; L600-V604 PolarHBondContact O-N 3.03Å |
| 601 | L | 94.2 | Very high | 87.8 | Confident | 62 Ų | 62 | 43.5 Ų | 43.5 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.6 | -40.1 | 174.5 | -172.8 | 60.2 | 0 | 0 | 0 | 111.3 | F597 F598 A603 V604 V735 | F597-L601 HydrophobicContact CE1-CD2 4.13Å; F597-L601 HydrophobicContact CZ-CD2 4.26Å; F597-L601 WeakPolarHBondContact O-CB 3.37Å; F597-L601 PolarHBondContact O-N 3.13Å; F598-L601 HydrophobicContact CD1-CD2 4.38Å; L601-A603 VanDerWaalsContact C-N 3.28Å; L601-A603 PolarHBondContact O-N 3.4Å; L601-V604 WeakPolarHBondContact O-CB 3.47Å; L601-V604 PolarHBondContact O-N 3.03Å; L601-V735 HydrophobicContact CB-CG1 4.12Å; L601-V735 HydrophobicContact CD2-CB 4.45Å; L601-V735 HydrophobicContact CD2-CG1 3.97Å; L601-V735 HydrophobicContact CD2-CG2 3.57Å; L601-V735 HydrophobicContact CG-CG1 3.91Å; L601-V735 HydrophobicContact CG-CG2 3.97Å |
| 602 | L | 92.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.3 | -35.5 | 174.1 | -165.6 | 68.6 | 0 | 0 | 0 | 111.6 | L572 F598 S599 L600 V604 F605 P606 F732 V735 L736 L739 L793 | L572-L602 HydrophobicContact CD1-CB 4.37Å; L572-L602 HydrophobicContact CD1-CD2 4.24Å; L572-L602 HydrophobicContact CD1-CG 4.08Å; L572-L602 HydrophobicContact CD2-CD2 4.08Å; F598-L602 WeakPolarHBondContact O-CB 3.24Å; F598-L602 PolarHBondContact O-N 3.33Å; S599-L602 PolarHBondContact O-N 2.88Å; L600-L602 VanDerWaalsContact C-N 3.32Å; L600-L602 PolarHBondContact O-N 2.91Å; L602-V604 PolarHBondContact O-N 3.36Å; L602-F605 HydrophobicContact CD1-CD2 4.25Å; L602-F605 PolarHBondContact O-N 3Å; L602-P606 WeakPolarHBondContact O-CD 3.23Å; L602-F732 HydrophobicContact CD1-CD2 3.35Å; L602-F732 HydrophobicContact CD1-CE2 3.5Å; L602-F732 VanDerWaalsContact CD1-CE2 3.5Å; L602-F732 HydrophobicContact CD1-CG 4.14Å; L602-F732 HydrophobicContact CD1-CZ 4.39Å; L602-F732 HydrophobicContact CG-CE2 4.41Å; L602-V735 HydrophobicContact CB-CG1 4.2Å; L602-V735 HydrophobicContact CD1-CG1 4.15Å; L602-L736 HydrophobicContact CD1-CB 4.34Å; L602-L736 HydrophobicContact CD2-CD1 4.06Å; L602-L739 HydrophobicContact CB-CD2 4.4Å; L602-L739 HydrophobicContact CD2-CD2 3.64Å; L602-L793 HydrophobicContact CD2-CD2 4.12Å |
| 603 | A | 92.6 | Very high | 84.8 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.033 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.8 | -15.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T569 L572 I573 S599 L600 L601 P606 | T569-A603 WeakPolarHBondContact CB-O 3.24Å; T569-A603 HydrophobicContact CG2-CB 4.08Å; T569-A603 VanDerWaalsContact CG2-O 3.24Å; T569-A603 WeakPolarHBondContact CG2-O 3.38Å; T569-A603 PolarHBondContact OG1-O 3.42Å; L572-A603 HydrophobicContact CB-CB 3.7Å; L572-A603 HydrophobicContact CD1-CB 4.27Å; I573-A603 HydrophobicContact CG1-CB 4.36Å; S599-A603 WeakPolarHBondContact O-CB 3.07Å; S599-A603 PolarHBondContact O-N 3.38Å; L600-A603 WeakPolarHBondContact O-CB 3.36Å; L600-A603 PolarHBondContact O-N 3.34Å; L600-A603 VanDerWaalsContact O-N 3.17Å; L601-A603 VanDerWaalsContact C-N 3.28Å; L601-A603 PolarHBondContact O-N 3.4Å; A603-P606 WeakPolarHBondContact O-CD 3.24Å |
| 604 | V | 92.1 | Very high | 83.7 | Confident | 70 Ų | 70 | 54.3 Ų | 54.3 | 42% | 0.424 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.9 | -37.1 | 173.9 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | L600 L601 L602 L607 M608 | L600-V604 PolarHBondContact O-N 3.03Å; L601-V604 WeakPolarHBondContact O-CB 3.47Å; L601-V604 PolarHBondContact O-N 3.03Å; L602-V604 PolarHBondContact O-N 3.36Å; V604-L607 WeakPolarHBondContact O-CB 3.34Å; V604-L607 PolarHBondContact O-N 2.75Å; V604-M608 HydrophobicContact CG1-CG 4.34Å; V604-M608 HydrophobicContact CG1-SD 4.17Å; V604-M608 PolarHBondContact O-N 3.09Å |
| 605 | F | 88.5 | Confident | 82.7 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -62.2 | -38.9 | -170.8 | -69.8 | -71.8 | 0 | 0 | 0 | 115.3 | L602 L607 M608 Y728 L731 F732 V735 | L602-F605 HydrophobicContact CD1-CD2 4.25Å; L602-F605 PolarHBondContact O-N 3Å; F605-L607 PolarHBondContact O-N 3.08Å; F605-M608 WeakPolarHBondContact O-CB 3.32Å; F605-M608 PolarHBondContact O-N 3.25Å; F605-M608 VanDerWaalsContact O-N 3.11Å; F605-Y728 AromaticContact CD1-CD2 3.84Å; F605-Y728 HydrophobicContact CD1-CD2 3.84Å; F605-Y728 HydrophobicContact CD1-CE2 4.03Å; F605-Y728 HydrophobicContact CE1-CD2 4.01Å; F605-L731 HydrophobicContact CE1-CB 4.32Å; F605-L731 HydrophobicContact CZ-CB 3.97Å; F605-F732 HydrophobicContact CB-CD2 4.05Å; F605-F732 HydrophobicContact CD1-CB 4.2Å; F605-F732 HydrophobicContact CD2-CB 3.73Å; F605-F732 AromaticContact CD2-CD2 3.65Å; F605-F732 HydrophobicContact CD2-CD2 3.65Å; F605-F732 HydrophobicContact CD2-CG 4.24Å; F605-F732 HydrophobicContact CE1-CB 3.94Å; F605-F732 HydrophobicContact CE2-CB 3.43Å; F605-F732 VanDerWaalsContact CE2-CB 3.43Å; F605-F732 HydrophobicContact CE2-CD2 4.21Å; F605-F732 HydrophobicContact CE2-CG 4.39Å; F605-F732 HydrophobicContact CG-CB 4.08Å; F605-F732 AromaticContact CG-CD2 3.84Å; F605-F732 HydrophobicContact CG-CD2 3.84Å; F605-F732 HydrophobicContact CG-CG 4.44Å; F605-F732 HydrophobicContact CZ-CB 3.53Å; F605-V735 HydrophobicContact CE2-CB 4.15Å; F605-V735 HydrophobicContact CE2-CG1 4.29Å; F605-V735 HydrophobicContact CE2-CG2 4.11Å; F605-V735 HydrophobicContact CZ-CG2 4.34Å |
| 606 | P | 87.5 | Confident | 82.3 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 8% | 0.084 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -64.1 | -22.2 | 174.5 | -20.9 | 31.6 | 0 | 0 | 0 | 114.3 | R565 L568 L602 A603 | R565-P606 HydrophobicContact CB-CB 4.37Å; R565-P606 WeakPolarHBondContact CB-O 3.39Å; R565-P606 VanDerWaalsContact O-CB 3.25Å; R565-P606 WeakPolarHBondContact O-CB 3.4Å; L568-P606 HydrophobicContact CB-CB 4.03Å; L568-P606 HydrophobicContact CB-CG 3.72Å; L568-P606 HydrophobicContact CD1-CB 4.45Å; L568-P606 HydrophobicContact CD1-CG 4.21Å; L602-P606 WeakPolarHBondContact O-CD 3.23Å; A603-P606 WeakPolarHBondContact O-CD 3.24Å |
| 607 | L | 86.8 | Confident | 82 | Confident | 104 Ų | 104 | 58.3 Ų | 58.3 | 55% | 0.545 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -81.5 | -18.3 | 174.7 | -57.5 | -178.4 | 0 | 0 | 0 | 112.9 | T569 V604 F605 | T569-L607 HydrophobicContact CG2-CD1 4.05Å; T569-L607 HydrophobicContact CG2-CD2 4.28Å; T569-L607 HydrophobicContact CG2-CG 4.12Å; T569-L607 WeakPolarHBondContact OG1-CG 3.17Å; V604-L607 WeakPolarHBondContact O-CB 3.34Å; V604-L607 PolarHBondContact O-N 2.75Å; F605-L607 PolarHBondContact O-N 3.08Å |
| 608 | M | 83.5 | Confident | 81.8 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 29% | 0.286 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -66.9 | 146.9 | -177.4 | -65 | -64.6 | -76 | 0 | 0 | 111.5 | R565 V604 F605 Y728 | R565-M608 PolarHBondContact NH2-O 3.05Å; V604-M608 HydrophobicContact CG1-CG 4.34Å; V604-M608 HydrophobicContact CG1-SD 4.17Å; V604-M608 PolarHBondContact O-N 3.09Å; F605-M608 WeakPolarHBondContact O-CB 3.32Å; F605-M608 PolarHBondContact O-N 3.25Å; F605-M608 VanDerWaalsContact O-N 3.11Å; M608-Y728 HydrophobicContact CB-CD2 4.19Å; M608-Y728 HydrophobicContact CB-CE1 4.04Å; M608-Y728 HydrophobicContact CB-CE2 3.58Å; M608-Y728 HydrophobicContact CE-CD1 3.95Å; M608-Y728 HydrophobicContact CE-CD2 4.18Å; M608-Y728 HydrophobicContact CE-CE1 4.44Å; M608-Y728 HydrophobicContact CE-CG 3.83Å; M608-Y728 HydrophobicContact CG-CD2 4.16Å; M608-Y728 HydrophobicContact CG-CE2 3.99Å |
| 609 | P | 74.9 | Confident | 81.6 | Confident | 60 Ų | 60 | 58 Ų | 58 | 39% | 0.39 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -61 | 148.3 | 173.3 | 28.8 | -35.5 | 0 | 0 | 0 | 109.1 | V611 Y728 | P609-V611 PolarHBondContact O-N 2.96Å; P609-Y728 WeakPolarHBondContact O-CE1 3.42Å; P609-Y728 VanDerWaalsContact O-CZ 3.26Å; P609-Y728 PolarHBondContact O-OH 3.4Å |
| 610 | V | 69.4 | Low | 81.4 | Confident | 38 Ų | 38 | 58 Ų | 58 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -49.3 | 134 | 176.4 | -166 | 0 | 0 | 0 | 0 | 110.7 | P801 | V610-P801 WeakPolarHBondContact CG1-O 3.3Š|
| 611 | V | 63.3 | Low | 81.4 | Confident | 31 Ų | 31 | 56.5 Ų | 56.5 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 139.6 | 172.7 | -179.5 | 0 | 0 | 0 | 0 | 109.6 | P609 Y728 E729 | P609-V611 PolarHBondContact O-N 2.96Å; V611-Y728 HydrophobicContact CG2-CE1 4.05Å; V611-Y728 HydrophobicContact CG2-CE2 4.45Å; V611-E729 HydrophobicContact CG1-CG 4.18Å; V611-E729 VanDerWaalsContact CG1-OE1 3.26Å; V611-E729 WeakPolarHBondContact CG1-OE1 3.25Å; V611-E729 WeakPolarHBondContact CG1-OE2 3.43Å; V611-E729 HydrophobicContact CG2-CB 3.78Å; V611-E729 HydrophobicContact CG2-CG 4.11Å |
| 612 | G | 55.3 | Low | 81.5 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 19% | 0.186 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 110.7 | 1.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | W268 | W268-G612 VanDerWaalsContact CB-O 3.27Å; W268-G612 WeakPolarHBondContact CB-O 3.41Å |
| 613 | R | 54.1 | Low | 81.5 | Confident | 180 Ų | 180 | 54.9 Ų | 54.9 | 68% | 0.679 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -70.5 | -46.9 | 174.8 | -71.4 | -173 | 176.8 | -176.7 | -2.9 | 113.3 | ||
| 614 | K | 65.5 | Low | 81.7 | Confident | 180 Ų | 180 | 54.7 Ų | 54.7 | 78% | 0.783 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -149.2 | 138.5 | 173.3 | -70.2 | -170.6 | 178.3 | -179.6 | 0 | 108.4 | N616 | K614-N616 PolarHBondContact O-N 3.45Š|
| 615 | P | 72.4 | Confident | 81.9 | Confident | 37 Ų | 37 | 57 Ų | 57 | 24% | 0.24 | 30% | 0.3 | C | S | . | . | trans | -71.1 | 135.2 | 176.5 | 28 | -19.1 | 0 | 0 | 0 | 108.1 | W268 T726 | W268-P615 HydrophobicContact CH2-CB 4.03Å; W268-P615 HydrophobicContact CH2-CG 4.08Å; W268-P615 HydrophobicContact CZ3-CB 4.23Å; W268-P615 HydrophobicContact CZ3-CG 3.97Å; P615-T726 CarbonylContact C-O 3.58Å; P615-T726 WeakPolarHBondContact CA-O 3.35Å | ||
| 616 | N | 83.9 | Confident | 82.2 | Confident | 70 Ų | 70 | 60 Ų | 60 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | trans | -122.9 | 83.7 | 174.1 | -169.9 | -30.5 | 0 | 0 | 0 | 108.6 | K614 S618 L619 V620 T726 | K614-N616 PolarHBondContact O-N 3.45Å; N616-S618 PolarHBondContact O-N 3.17Å; N616-S618 WeakPolarHBondContact OD1-CB 3.29Å; N616-S618 PolarHBondContact OD1-N 3.4Å; N616-L619 HydrophobicContact CB-CD1 4.08Å; N616-L619 HydrophobicContact CB-CG 4.34Å; N616-L619 PolarHBondContact O-N 3.04Å; N616-L619 VanDerWaalsContact O-N 3.12Å; N616-L619 PolarHBondContact OD1-N 2.98Å; N616-V620 PolarHBondContact O-N 3.5Å; N616-T726 CarbonylContact C-O 3.43Å; N616-T726 PolarHBondContact N-O 2.9Å | ||
| 617 | L | 86.7 | Confident | 82.5 | Confident | 32 Ų | 32 | 59.6 Ų | 59.6 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.1 | -31.6 | -178.4 | -173.1 | 59.4 | 0 | 0 | 0 | 111.6 | L619 V620 M621 V667 Y668 H671 | L617-L619 PolarHBondContact O-N 3.31Å; L617-V620 HydrophobicContact CD1-CB 4.35Å; L617-V620 PolarHBondContact O-N 3.17Å; L617-V620 VanDerWaalsContact O-N 3.11Å; L617-M621 HydrophobicContact CD1-CG 4.1Å; L617-M621 HydrophobicContact CD1-SD 4.31Å; L617-M621 HydrophobicContact CG-CG 3.94Å; L617-M621 WeakPolarHBondContact O-CB 3.49Å; L617-M621 WeakPolarHBondContact O-CG 3.34Å; L617-M621 PolarHBondContact O-N 2.74Å; L617-V667 HydrophobicContact CD1-CG1 3.54Å; L617-Y668 HydrophobicContact CD2-CD2 3.72Å; L617-Y668 HydrophobicContact CD2-CE2 4.48Å; L617-Y668 HydrophobicContact CD2-CG 4.49Å; L617-H671 HydrophobicContact CD2-CB 4.34Å |
| 618 | S | 91.3 | Very high | 82.9 | Confident | 95 Ų | 95 | 56 Ų | 56 | 66% | 0.664 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -58.5 | -36.5 | 176.8 | -52.9 | 0 | 0 | 0 | 0 | 112.5 | N616 G622 | N616-S618 PolarHBondContact O-N 3.17Å; N616-S618 WeakPolarHBondContact OD1-CB 3.29Å; N616-S618 PolarHBondContact OD1-N 3.4Å; S618-G622 PolarHBondContact O-N 3.49Å |
| 619 | L | 89.8 | Confident | 83.4 | Confident | 62 Ų | 62 | 57.2 Ų | 57.2 | 33% | 0.325 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.2 | -38 | 175.7 | -68 | 176.1 | 0 | 0 | 0 | 112.5 | N616 L617 G622 A623 L731 | N616-L619 HydrophobicContact CB-CD1 4.08Å; N616-L619 HydrophobicContact CB-CG 4.34Å; N616-L619 PolarHBondContact O-N 3.04Å; N616-L619 VanDerWaalsContact O-N 3.12Å; N616-L619 PolarHBondContact OD1-N 2.98Å; L617-L619 PolarHBondContact O-N 3.31Å; L619-G622 PolarHBondContact O-N 2.96Å; L619-A623 WeakPolarHBondContact O-CB 3.4Å; L619-A623 PolarHBondContact O-N 2.91Å; L619-L731 HydrophobicContact CD2-CD1 4.43Å |
| 620 | V | 90.4 | Very high | 84.2 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | N616 L617 G622 A623 G624 V667 L722 A730 | N616-V620 PolarHBondContact O-N 3.5Å; L617-V620 HydrophobicContact CD1-CB 4.35Å; L617-V620 PolarHBondContact O-N 3.17Å; L617-V620 VanDerWaalsContact O-N 3.11Å; V620-G622 VanDerWaalsContact C-N 3.34Å; V620-G622 PolarHBondContact O-N 2.8Å; V620-A623 WeakPolarHBondContact O-CB 3.24Å; V620-A623 PolarHBondContact O-N 3.19Å; V620-G624 PolarHBondContact O-N 3.03Å; V620-V667 HydrophobicContact CG1-CG1 4.43Å; V620-L722 HydrophobicContact CG1-CD2 3.88Å; V620-A730 HydrophobicContact CB-CB 4.45Å; V620-A730 HydrophobicContact CG1-CB 4.39Å; V620-A730 HydrophobicContact CG2-CB 4.35Å |
| 621 | M | 94.9 | Very high | 85.1 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 26% | 0.261 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 176.5 | -62.2 | -57.7 | -77.9 | 0 | 0 | 111.4 | L617 G624 F625 M664 | L617-M621 HydrophobicContact CD1-CG 4.1Å; L617-M621 HydrophobicContact CD1-SD 4.31Å; L617-M621 HydrophobicContact CG-CG 3.94Å; L617-M621 WeakPolarHBondContact O-CB 3.49Å; L617-M621 WeakPolarHBondContact O-CG 3.34Å; L617-M621 PolarHBondContact O-N 2.74Å; M621-G624 PolarHBondContact O-N 3.36Å; M621-F625 WeakPolarHBondContact O-CB 3.36Å; M621-F625 PolarHBondContact O-N 3.45Å; M621-M664 HydrophobicContact CB-CE 4.35Å; M621-M664 HydrophobicContact CE-CB 3.91Å; M621-M664 HydrophobicContact CE-CE 3.59Å; M621-M664 WeakPolarHBondContact O-CE 3.46Å; M621-M664 HydrophobicContact SD-CB 3.92Å; M621-M664 HydrophobicContact SD-CE 4.06Å; M621-M664 HydrophobicContact SD-CG 4.3Å |
| 622 | G | 95.5 | Very high | 86.4 | Confident | 29 Ų | 29 | 59.1 Ų | 59.1 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | S618 L619 V620 F625 L626 | S618-G622 PolarHBondContact O-N 3.49Å; L619-G622 PolarHBondContact O-N 2.96Å; V620-G622 VanDerWaalsContact C-N 3.34Å; V620-G622 PolarHBondContact O-N 2.8Å; G622-F625 PolarHBondContact O-N 3.22Å; G622-L626 WeakPolarHBondContact O-CB 3.49Å; G622-L626 VanDerWaalsContact O-CG 3.27Å; G622-L626 WeakPolarHBondContact O-CG 3.36Å; G622-L626 PolarHBondContact O-N 2.89Å |
| 623 | A | 94.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L619 V620 F625 L626 V627 L722 A730 L731 | L619-A623 WeakPolarHBondContact O-CB 3.4Å; L619-A623 PolarHBondContact O-N 2.91Å; V620-A623 WeakPolarHBondContact O-CB 3.24Å; V620-A623 PolarHBondContact O-N 3.19Å; A623-F625 PolarHBondContact O-N 3.15Å; A623-L626 PolarHBondContact O-N 2.79Å; A623-V627 WeakPolarHBondContact O-CG2 3.35Å; A623-V627 PolarHBondContact O-N 2.7Å; A623-L722 HydrophobicContact CB-CD2 4.26Å; A623-A730 HydrophobicContact CB-CB 3.52Å; A623-L731 HydrophobicContact CB-CD2 3.63Å; A623-L731 HydrophobicContact CB-CG 4.1Å |
| 624 | G | 95.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V620 M621 V627 L628 | V620-G624 PolarHBondContact O-N 3.03Å; M621-G624 PolarHBondContact O-N 3.36Å; G624-V627 PolarHBondContact O-N 2.95Å; G624-L628 WeakPolarHBondContact O-CG 3.39Å; G624-L628 PolarHBondContact O-N 3.2Å |
| 625 | F | 96.1 | Very high | 90 | Very high | 118 Ų | 118 | 46.9 Ų | 46.9 | 52% | 0.518 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 175.1 | -176.6 | -106.9 | 0 | 0 | 0 | 112.6 | M621 G622 A623 V627 L628 L629 | M621-F625 WeakPolarHBondContact O-CB 3.36Å; M621-F625 PolarHBondContact O-N 3.45Å; G622-F625 PolarHBondContact O-N 3.22Å; A623-F625 PolarHBondContact O-N 3.15Å; F625-V627 VanDerWaalsContact C-N 3.33Å; F625-V627 PolarHBondContact O-N 3.14Å; F625-L628 PolarHBondContact O-N 2.85Å; F625-L629 HydrophobicContact CD1-CD1 3.83Å; F625-L629 HydrophobicContact CD1-CG 4.21Å; F625-L629 HydrophobicContact CE1-CD1 3.36Å; F625-L629 HydrophobicContact CE1-CD2 4.31Å; F625-L629 HydrophobicContact CE1-CG 3.85Å; F625-L629 HydrophobicContact CE2-CG 4.48Å; F625-L629 HydrophobicContact CZ-CD1 3.92Å; F625-L629 HydrophobicContact CZ-CD2 4Å; F625-L629 HydrophobicContact CZ-CG 3.98Å; F625-L629 WeakPolarHBondContact O-CG 3.48Å; F625-L629 PolarHBondContact O-N 3.38Å |
| 626 | L | 95.6 | Very high | 90.5 | Very high | 82 Ų | 82 | 48.2 Ų | 48.2 | 43% | 0.429 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 175.9 | -72.5 | 169.4 | 0 | 0 | 0 | 112.3 | G622 A623 L629 L630 L731 L734 | G622-L626 WeakPolarHBondContact O-CB 3.49Å; G622-L626 VanDerWaalsContact O-CG 3.27Å; G622-L626 WeakPolarHBondContact O-CG 3.36Å; G622-L626 PolarHBondContact O-N 2.89Å; A623-L626 PolarHBondContact O-N 2.79Å; L626-L629 PolarHBondContact O-N 3.1Å; L626-L630 WeakPolarHBondContact O-CB 3.45Å; L626-L630 PolarHBondContact O-N 2.67Å; L626-L731 HydrophobicContact CD1-CD2 3.77Å; L626-L734 HydrophobicContact CB-CD2 3.67Å; L626-L734 HydrophobicContact CD1-CD2 4.26Å |
| 627 | V | 94.5 | Very high | 90.2 | Very high | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62 | -44 | 173.9 | 170.9 | 0 | 0 | 0 | 0 | 111 | A623 G624 F625 L630 S631 T660 L715 M718 L734 | A623-V627 WeakPolarHBondContact O-CG2 3.35Å; A623-V627 PolarHBondContact O-N 2.7Å; G624-V627 PolarHBondContact O-N 2.95Å; F625-V627 VanDerWaalsContact C-N 3.33Å; F625-V627 PolarHBondContact O-N 3.14Å; V627-L630 PolarHBondContact O-N 3.08Å; V627-S631 PolarHBondContact O-N 3.17Å; V627-S631 PolarHBondContact O-OG 3.24Å; V627-T660 HydrophobicContact CG1-CG2 4.32Å; V627-L715 HydrophobicContact CG1-CD1 3.49Å; V627-L715 VanDerWaalsContact CG1-CD1 3.49Å; V627-M718 HydrophobicContact CG1-CB 4.27Å; V627-M718 HydrophobicContact CG1-CG 4.46Å; V627-M718 HydrophobicContact CG2-CB 4.24Å; V627-M718 HydrophobicContact CG2-CE 3.68Å; V627-M718 HydrophobicContact CG2-CG 3.88Å; V627-M718 HydrophobicContact CG2-SD 4.42Å; V627-L734 HydrophobicContact CG2-CD1 4.12Å; V627-L734 HydrophobicContact CG2-CD2 4.42Å |
| 628 | L | 94.8 | Very high | 89.5 | Confident | 30 Ų | 30 | 47.2 Ų | 47.2 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.9 | -38 | 177.5 | -68.7 | 170.6 | 0 | 0 | 0 | 112.6 | G624 F625 S631 L632 M657 T660 V661 M664 | G624-L628 WeakPolarHBondContact O-CG 3.39Å; G624-L628 PolarHBondContact O-N 3.2Å; F625-L628 PolarHBondContact O-N 2.85Å; L628-S631 WeakPolarHBondContact CA-OG 3.32Å; L628-S631 PolarHBondContact O-N 2.97Å; L628-S631 PolarHBondContact O-OG 2.88Å; L628-L632 WeakPolarHBondContact O-CB 3.23Å; L628-L632 PolarHBondContact O-N 3.1Å; L628-M657 HydrophobicContact CD2-CB 4.08Å; L628-M657 HydrophobicContact CD2-CE 4.07Å; L628-M657 HydrophobicContact CD2-CG 4.36Å; L628-T660 HydrophobicContact CD2-CG2 4.17Å; L628-T660 HydrophobicContact CG-CG2 4.17Å; L628-V661 HydrophobicContact CD1-CG2 3.77Å; L628-V661 HydrophobicContact CD2-CG2 4.18Å; L628-M664 HydrophobicContact CD1-SD 4.15Å |
| 629 | L | 94.1 | Very high | 88.4 | Confident | 83 Ų | 83 | 45.1 Ų | 45.1 | 44% | 0.435 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 173.5 | -73.9 | -178.6 | 0 | 0 | 0 | 111.6 | F625 L626 L632 A633 | F625-L629 HydrophobicContact CD1-CD1 3.83Å; F625-L629 HydrophobicContact CD1-CG 4.21Å; F625-L629 HydrophobicContact CE1-CD1 3.36Å; F625-L629 HydrophobicContact CE1-CD2 4.31Å; F625-L629 HydrophobicContact CE1-CG 3.85Å; F625-L629 HydrophobicContact CE2-CG 4.48Å; F625-L629 HydrophobicContact CZ-CD1 3.92Å; F625-L629 HydrophobicContact CZ-CD2 4Å; F625-L629 HydrophobicContact CZ-CG 3.98Å; F625-L629 WeakPolarHBondContact O-CG 3.48Å; F625-L629 PolarHBondContact O-N 3.38Å; L626-L629 PolarHBondContact O-N 3.1Å; L629-L632 PolarHBondContact O-N 3.14Å; L629-A633 WeakPolarHBondContact O-CB 3.3Å; L629-A633 PolarHBondContact O-N 3.24Å |
| 630 | L | 91 | Very high | 87.4 | Confident | 65 Ų | 65 | 50.8 Ų | 50.8 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 177 | -177.3 | 65.3 | 0 | 0 | 0 | 111.1 | L626 V627 L632 A633 V634 L714 L734 | L626-L630 WeakPolarHBondContact O-CB 3.45Å; L626-L630 PolarHBondContact O-N 2.67Å; V627-L630 PolarHBondContact O-N 3.08Å; L630-L632 VanDerWaalsContact C-N 3.35Å; L630-L632 PolarHBondContact O-N 2.9Å; L630-A633 WeakPolarHBondContact O-CB 3.29Å; L630-A633 PolarHBondContact O-N 2.79Å; L630-V634 WeakPolarHBondContact O-CG2 3.42Å; L630-V634 PolarHBondContact O-N 3.08Å; L630-L714 HydrophobicContact CD2-CD2 3.89Å; L630-L734 HydrophobicContact CD2-CD1 3.79Å |
| 631 | S | 89.3 | Confident | 86.1 | Confident | 12 Ų | 12 | 58.5 Ų | 58.5 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 178.1 | 68.2 | 0 | 0 | 0 | 0 | 111.8 | V627 L628 V634 V635 M657 | V627-S631 PolarHBondContact O-N 3.17Å; V627-S631 PolarHBondContact O-OG 3.24Å; L628-S631 WeakPolarHBondContact CA-OG 3.32Å; L628-S631 PolarHBondContact O-N 2.97Å; L628-S631 PolarHBondContact O-OG 2.88Å; S631-V634 PolarHBondContact O-N 2.97Å; S631-V635 WeakPolarHBondContact O-CG2 3.41Å; S631-V635 PolarHBondContact O-N 3.39Å; S631-M657 VanDerWaalsContact OG-CE 3.28Å; S631-M657 WeakPolarHBondContact OG-CE 3.24Å; S631-M657 WeakPolarHBondContact OG-CG 3.33Å; S631-M657 PolarHBondContact OG-SD 3.48Å |
| 632 | L | 89.6 | Confident | 84.2 | Confident | 92 Ų | 92 | 63.1 Ų | 63.1 | 48% | 0.482 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 174.2 | -174.6 | 64.5 | 0 | 0 | 0 | 112.1 | L628 L629 L630 V634 V635 T636 | L628-L632 WeakPolarHBondContact O-CB 3.23Å; L628-L632 PolarHBondContact O-N 3.1Å; L629-L632 PolarHBondContact O-N 3.14Å; L630-L632 VanDerWaalsContact C-N 3.35Å; L630-L632 PolarHBondContact O-N 2.9Å; L632-V634 VanDerWaalsContact C-N 3.31Å; L632-V634 PolarHBondContact O-N 2.93Å; L632-V635 PolarHBondContact O-N 2.87Å; L632-T636 HydrophobicContact CD1-CG2 4.39Å; L632-T636 HydrophobicContact CG-CG2 4.47Å; L632-T636 WeakPolarHBondContact O-CB 3.25Å; L632-T636 VanDerWaalsContact O-CG2 3.29Å; L632-T636 WeakPolarHBondContact O-CG2 3.34Å; L632-T636 PolarHBondContact O-N 2.97Å; L632-T636 PolarHBondContact O-OG1 3.3Å |
| 633 | A | 86.8 | Confident | 82.5 | Confident | 47 Ų | 47 | 65 Ų | 65 | 39% | 0.388 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L629 L630 T636 T637 | L629-A633 WeakPolarHBondContact O-CB 3.3Å; L629-A633 PolarHBondContact O-N 3.24Å; L630-A633 WeakPolarHBondContact O-CB 3.29Å; L630-A633 PolarHBondContact O-N 2.79Å; A633-T636 WeakPolarHBondContact CA-OG1 3.34Å; A633-T636 PolarHBondContact O-OG1 2.79Å; A633-T637 WeakPolarHBondContact O-CB 3.37Å; A633-T637 WeakPolarHBondContact O-CG2 3.46Å; A633-T637 PolarHBondContact O-N 2.84Å; A633-T637 PolarHBondContact O-OG1 3.18Å |
| 634 | V | 83.3 | Confident | 80.6 | Confident | 36 Ų | 36 | 74.6 Ų | 74.6 | 22% | 0.218 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 174.4 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L630 S631 L632 T636 T637 L638 A711 | L630-V634 WeakPolarHBondContact O-CG2 3.42Å; L630-V634 PolarHBondContact O-N 3.08Å; S631-V634 PolarHBondContact O-N 2.97Å; L632-V634 VanDerWaalsContact C-N 3.31Å; L632-V634 PolarHBondContact O-N 2.93Å; V634-T636 PolarHBondContact O-N 2.89Å; V634-T637 WeakPolarHBondContact CA-OG1 3.45Å; V634-T637 PolarHBondContact O-N 2.82Å; V634-T637 PolarHBondContact O-OG1 3.28Å; V634-L638 HydrophobicContact CG1-CD1 3.75Å; V634-L638 HydrophobicContact CG1-CG 4.42Å; V634-L638 WeakPolarHBondContact O-CB 3.36Å; V634-L638 WeakPolarHBondContact O-CD1 3.26Å; V634-L638 WeakPolarHBondContact O-CG 3.41Å; V634-L638 PolarHBondContact O-N 3.36Å; V634-A711 HydrophobicContact CG1-CB 4.27Å |
| 635 | V | 81.6 | Confident | 78.9 | Confident | 38 Ų | 38 | 76.7 Ų | 76.7 | 23% | 0.23 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 177.5 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | S631 L632 L638 G639 L650 L653 | S631-V635 WeakPolarHBondContact O-CG2 3.41Å; S631-V635 PolarHBondContact O-N 3.39Å; L632-V635 PolarHBondContact O-N 2.87Å; V635-L638 PolarHBondContact O-N 3.25Å; V635-G639 PolarHBondContact O-N 2.85Å; V635-L650 HydrophobicContact CG1-CD1 4.49Å; V635-L653 HydrophobicContact CG2-CD2 3.39Å; V635-L653 HydrophobicContact CG2-CG 4.26Å |
| 636 | T | 81.8 | Confident | 77.5 | Confident | 65 Ų | 65 | 75.7 Ų | 75.7 | 40% | 0.399 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68 | -37.1 | -177.9 | 53.6 | 0 | 0 | 0 | 0 | 112.6 | L632 A633 V634 G639 K640 | L632-T636 HydrophobicContact CD1-CG2 4.39Å; L632-T636 HydrophobicContact CG-CG2 4.47Å; L632-T636 WeakPolarHBondContact O-CB 3.25Å; L632-T636 VanDerWaalsContact O-CG2 3.29Å; L632-T636 WeakPolarHBondContact O-CG2 3.34Å; L632-T636 PolarHBondContact O-N 2.97Å; L632-T636 PolarHBondContact O-OG1 3.3Å; A633-T636 WeakPolarHBondContact CA-OG1 3.34Å; A633-T636 PolarHBondContact O-OG1 2.79Å; V634-T636 PolarHBondContact O-N 2.89Å; T636-G639 PolarHBondContact O-N 3.23Å; T636-K640 WeakPolarHBondContact O-CB 3.36Å; T636-K640 WeakPolarHBondContact O-CG 3.35Å; T636-K640 PolarHBondContact O-N 3.07Å |
| 637 | T | 78.2 | Confident | 76.1 | Confident | 69 Ų | 69 | 81 Ų | 81 | 42% | 0.423 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.8 | -34.2 | 175 | 46.8 | 0 | 0 | 0 | 0 | 112.7 | A633 V634 R641 | A633-T637 WeakPolarHBondContact O-CB 3.37Å; A633-T637 WeakPolarHBondContact O-CG2 3.46Å; A633-T637 PolarHBondContact O-N 2.84Å; A633-T637 PolarHBondContact O-OG1 3.18Å; V634-T637 WeakPolarHBondContact CA-OG1 3.45Å; V634-T637 PolarHBondContact O-N 2.82Å; V634-T637 PolarHBondContact O-OG1 3.28Å; T637-R641 VanDerWaalsContact O-CG 3.3Å; T637-R641 WeakPolarHBondContact O-CG 3.32Å; T637-R641 PolarHBondContact O-N 3.16Å |
| 638 | L | 72 | Confident | 75.1 | Confident | 12 Ų | 12 | 82.8 Ų | 82.8 | 6% | 0.063 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -67.6 | -43.5 | 172.5 | -70.7 | 168.7 | 0 | 0 | 0 | 111.6 | V634 V635 R641 I643 L645 Q708 | V634-L638 HydrophobicContact CG1-CD1 3.75Å; V634-L638 HydrophobicContact CG1-CG 4.42Å; V634-L638 WeakPolarHBondContact O-CB 3.36Å; V634-L638 WeakPolarHBondContact O-CD1 3.26Å; V634-L638 WeakPolarHBondContact O-CG 3.41Å; V634-L638 PolarHBondContact O-N 3.36Å; V635-L638 PolarHBondContact O-N 3.25Å; L638-R641 PolarHBondContact O-N 2.93Å; L638-I643 HydrophobicContact CD2-CD1 4.16Å; L638-L645 HydrophobicContact CB-CD1 4.07Å; L638-L645 HydrophobicContact CD1-CD1 4.21Å; L638-Q708 HydrophobicContact CD1-CG 3.9Å; L638-Q708 HydrophobicContact CD2-CG 4.21Å |
| 639 | G | 68.2 | Low | 74.4 | Confident | 51 Ų | 51 | 83.6 Ų | 83.6 | 53% | 0.526 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | V635 T636 R641 N642 | V635-G639 PolarHBondContact O-N 2.85Å; T636-G639 PolarHBondContact O-N 3.23Å; G639-R641 PolarHBondContact O-N 3.4Å; G639-N642 PolarHBondContact O-N 3.04Å |
| 640 | K | 68.8 | Low | 73.7 | Confident | 181 Ų | 181 | 82.9 Ų | 82.9 | 79% | 0.787 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.5 | -24.7 | 176.1 | -76.7 | 178.8 | 179.8 | -178.9 | 0 | 114 | T636 N642 | T636-K640 WeakPolarHBondContact O-CB 3.36Å; T636-K640 WeakPolarHBondContact O-CG 3.35Å; T636-K640 PolarHBondContact O-N 3.07Å; K640-N642 VanDerWaalsContact C-N 3.32Å |
| 641 | R | 62.8 | Low | 73.4 | Confident | 162 Ų | 162 | 84.6 Ų | 84.6 | 61% | 0.611 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | 5.6 | -177.7 | -75.2 | 178 | 176.4 | 179.6 | 1.7 | 113.7 | T637 L638 G639 I643 | T637-R641 VanDerWaalsContact O-CG 3.3Å; T637-R641 WeakPolarHBondContact O-CG 3.32Å; T637-R641 PolarHBondContact O-N 3.16Å; L638-R641 PolarHBondContact O-N 2.93Å; G639-R641 PolarHBondContact O-N 3.4Å; R641-I643 HydrophobicContact CB-CD1 4.02Å; R641-I643 HydrophobicContact CB-CG1 4.03Å; R641-I643 PolarHBondContact O-N 3.46Å |
| 642 | N | 54.2 | Low | 73.4 | Confident | 151 Ų | 151 | 85.1 Ų | 85.1 | 81% | 0.807 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 26.6 | -177 | -77.5 | -22.6 | 0 | 0 | 0 | 113.8 | G639 K640 K644 | G639-N642 PolarHBondContact O-N 3.04Å; K640-N642 VanDerWaalsContact C-N 3.32Å; N642-K644 PolarHBondContact O-N 3.19Å |
| 643 | I | 59.6 | Low | 73.3 | Confident | 67 Ų | 67 | 81.6 Ų | 81.6 | 34% | 0.344 | 43% | 0.433 | S | S | . | . | trans | -76.7 | 109.9 | 172.1 | -60.2 | 172 | 0 | 0 | 0 | 105.6 | L638 R641 L645 | L638-I643 HydrophobicContact CD2-CD1 4.16Å; R641-I643 HydrophobicContact CB-CD1 4.02Å; R641-I643 HydrophobicContact CB-CG1 4.03Å; R641-I643 PolarHBondContact O-N 3.46Å; I643-L645 VanDerWaalsContact C-N 3.31Å; I643-L645 PolarHBondContact O-N 3.47Å | ||
| 644 | K | 56.1 | Low | 73.3 | Confident | 202 Ų | 202 | 83.8 Ų | 83.8 | 88% | 0.878 | 44% | 0.437 | S | S | * | . | trans | -62.4 | 91.6 | 174.9 | -75.7 | -178 | 178.6 | 178.2 | 0 | 108.7 | N642 V646 | N642-K644 PolarHBondContact O-N 3.19Å; K644-V646 PolarHBondContact O-N 3.47Å | ||
| 645 | L | 58.8 | Low | 73.7 | Confident | 45 Ų | 45 | 86.6 Ų | 86.6 | 24% | 0.236 | 45% | 0.451 | C | S | . | . | trans | -59.1 | 131.5 | 163.6 | -103.3 | 86.6 | 0 | 0 | 0 | 107.6 | L638 I643 K647 E649 L650 | L638-L645 HydrophobicContact CB-CD1 4.07Å; L638-L645 HydrophobicContact CD1-CD1 4.21Å; I643-L645 VanDerWaalsContact C-N 3.31Å; I643-L645 PolarHBondContact O-N 3.47Å; L645-K647 PolarHBondContact O-N 2.96Å; L645-E649 HydrophobicContact CD2-CB 4.16Å; L645-E649 HydrophobicContact CG-CB 4.45Å; L645-L650 HydrophobicContact CD2-CB 3.88Å; L645-L650 HydrophobicContact CD2-CD1 4.25Å | ||
| 646 | V | 65.9 | Low | 74.3 | Confident | 96 Ų | 96 | 85.1 Ų | 85.1 | 58% | 0.582 | 44% | 0.441 | S | S | * | . | trans | -63.1 | 137 | 168.7 | -179.2 | 0 | 0 | 0 | 0 | 106.9 | K644 G648 E649 L650 | K644-V646 PolarHBondContact O-N 3.47Å; V646-G648 PolarHBondContact O-N 3.01Å; V646-E649 HydrophobicContact CB-CG 4.15Å; V646-E649 PolarHBondContact N-OE2 3.12Å; V646-E649 VanDerWaalsContact N-OE2 3.11Å; V646-E649 PolarHBondContact O-N 3.44Å; V646-L650 PolarHBondContact O-N 3.27Å | ||
| 647 | K | 67.7 | Low | 74.9 | Confident | 194 Ų | 194 | 83.6 Ų | 83.6 | 84% | 0.843 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -48.9 | -33.8 | -177.1 | -73.1 | -176.5 | 177.5 | -179.4 | 0 | 113 | L645 L651 | L645-K647 PolarHBondContact O-N 2.96Å; K647-L651 PolarHBondContact O-N 3.31Å |
| 648 | G | 73 | Confident | 75.6 | Confident | 40 Ų | 40 | 85.5 Ų | 85.5 | 41% | 0.412 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.1 | -38.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V646 L651 V652 | V646-G648 PolarHBondContact O-N 3.01Å; G648-L651 WeakPolarHBondContact O-CB 3.41Å; G648-L651 PolarHBondContact O-N 3.45Å; G648-V652 WeakPolarHBondContact O-CG2 3.22Å; G648-V652 PolarHBondContact O-N 2.88Å |
| 649 | E | 78.9 | Confident | 76.7 | Confident | 47 Ų | 47 | 85.9 Ų | 85.9 | 22% | 0.22 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -68.4 | -38 | 179.4 | -63.8 | 173.2 | 145 | 0 | 0 | 111.7 | L645 V646 V652 L653 S703 | L645-E649 HydrophobicContact CD2-CB 4.16Å; L645-E649 HydrophobicContact CG-CB 4.45Å; V646-E649 HydrophobicContact CB-CG 4.15Å; V646-E649 PolarHBondContact N-OE2 3.12Å; V646-E649 VanDerWaalsContact N-OE2 3.11Å; V646-E649 PolarHBondContact O-N 3.44Å; E649-V652 PolarHBondContact O-N 3.26Å; E649-L653 PolarHBondContact O-N 2.9Å; E649-S703 WeakPolarHBondContact OE1-CA 3.44Å; E649-S703 WeakPolarHBondContact OE1-CB 3.35Å; E649-S703 PolarHBondContact OE1-OG 3.29Å |
| 650 | L | 81.1 | Confident | 77.9 | Confident | 68 Ų | 68 | 83.5 Ų | 83.5 | 36% | 0.356 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.9 | -39.9 | 175 | -178.3 | 63.7 | 0 | 0 | 0 | 110.9 | V635 L645 V646 L653 L654 | V635-L650 HydrophobicContact CG1-CD1 4.49Å; L645-L650 HydrophobicContact CD2-CB 3.88Å; L645-L650 HydrophobicContact CD2-CD1 4.25Å; V646-L650 PolarHBondContact O-N 3.27Å; L650-L653 PolarHBondContact O-N 3.04Å; L650-L654 HydrophobicContact CG-CD1 4.2Å; L650-L654 WeakPolarHBondContact O-CG 3.36Å; L650-L654 PolarHBondContact O-N 2.92Å |
| 651 | L | 84.9 | Confident | 79.2 | Confident | 102 Ų | 102 | 78.3 Ų | 78.3 | 53% | 0.534 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 176 | -178.4 | 64.1 | 0 | 0 | 0 | 111.5 | K647 G648 L653 L654 L655 | K647-L651 PolarHBondContact O-N 3.31Å; G648-L651 WeakPolarHBondContact O-CB 3.41Å; G648-L651 PolarHBondContact O-N 3.45Å; L651-L653 VanDerWaalsContact C-N 3.34Å; L651-L653 PolarHBondContact O-N 2.98Å; L651-L654 PolarHBondContact O-N 2.9Å; L651-L655 HydrophobicContact CD1-CD1 4.44Å; L651-L655 HydrophobicContact CD1-CG 4.41Å; L651-L655 HydrophobicContact CG-CD1 4.12Å; L651-L655 WeakPolarHBondContact O-CB 3.24Å; L651-L655 VanDerWaalsContact O-CG 3.3Å; L651-L655 WeakPolarHBondContact O-CG 3.2Å; L651-L655 PolarHBondContact O-N 3.46Å |
| 652 | V | 88.1 | Confident | 80.7 | Confident | 23 Ų | 23 | 73.9 Ų | 73.9 | 14% | 0.139 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -58.7 | -46 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 111 | G648 E649 L654 L655 Q656 L701 | G648-V652 WeakPolarHBondContact O-CG2 3.22Å; G648-V652 PolarHBondContact O-N 2.88Å; E649-V652 PolarHBondContact O-N 3.26Å; V652-L654 PolarHBondContact O-N 3.27Å; V652-L655 PolarHBondContact O-N 3.26Å; V652-Q656 HydrophobicContact CG1-CG 4.48Å; V652-Q656 WeakPolarHBondContact O-CG 3.44Å; V652-Q656 PolarHBondContact O-N 3.16Å; V652-L701 HydrophobicContact CG2-CB 4.2Å |
| 653 | L | 86.8 | Confident | 82.6 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 9% | 0.094 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.8 | -40.1 | -179.8 | -172.5 | 63.3 | 0 | 0 | 0 | 112.3 | V635 E649 L650 L651 Q656 M657 L715 | V635-L653 HydrophobicContact CG2-CD2 3.39Å; V635-L653 HydrophobicContact CG2-CG 4.26Å; E649-L653 PolarHBondContact O-N 2.9Å; L650-L653 PolarHBondContact O-N 3.04Å; L651-L653 VanDerWaalsContact C-N 3.34Å; L651-L653 PolarHBondContact O-N 2.98Å; L653-Q656 PolarHBondContact O-N 3.31Å; L653-M657 WeakPolarHBondContact O-CG 3.36Å; L653-M657 PolarHBondContact O-N 3.47Å; L653-L715 HydrophobicContact CD1-CD2 3.75Å |
| 654 | L | 88.6 | Confident | 84.3 | Confident | 92 Ų | 92 | 64.6 Ų | 64.6 | 48% | 0.482 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 175.1 | -70.6 | 173.5 | 0 | 0 | 0 | 112.1 | L650 L651 V652 M657 L658 | L650-L654 HydrophobicContact CG-CD1 4.2Å; L650-L654 WeakPolarHBondContact O-CG 3.36Å; L650-L654 PolarHBondContact O-N 2.92Å; L651-L654 PolarHBondContact O-N 2.9Å; V652-L654 PolarHBondContact O-N 3.27Å; L654-M657 PolarHBondContact O-N 3.18Å; L654-L658 PolarHBondContact O-N 3.29Å |
| 655 | L | 91.1 | Very high | 86.1 | Confident | 96 Ų | 96 | 61.8 Ų | 61.8 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 174.8 | -72.1 | 172.2 | 0 | 0 | 0 | 111.8 | L651 V652 L658 S659 | L651-L655 HydrophobicContact CD1-CD1 4.44Å; L651-L655 HydrophobicContact CD1-CG 4.41Å; L651-L655 HydrophobicContact CG-CD1 4.12Å; L651-L655 WeakPolarHBondContact O-CB 3.24Å; L651-L655 VanDerWaalsContact O-CG 3.3Å; L651-L655 WeakPolarHBondContact O-CG 3.2Å; L651-L655 PolarHBondContact O-N 3.46Å; V652-L655 PolarHBondContact O-N 3.26Å; L655-L658 PolarHBondContact O-N 3.28Å; L655-S659 WeakPolarHBondContact O-CB 3.34Å; L655-S659 PolarHBondContact O-N 3.45Å |
| 656 | Q | 93.4 | Very high | 87.7 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.028 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67 | -35.5 | 175 | -70.9 | -178.4 | -49.9 | 0 | 0 | 112.1 | V652 L653 S659 T660 A698 S712 L715 S716 | V652-Q656 HydrophobicContact CG1-CG 4.48Å; V652-Q656 WeakPolarHBondContact O-CG 3.44Å; V652-Q656 PolarHBondContact O-N 3.16Å; L653-Q656 PolarHBondContact O-N 3.31Å; Q656-S659 PolarHBondContact O-N 3.44Å; Q656-T660 PolarHBondContact O-N 2.85Å; Q656-T660 PolarHBondContact O-OG1 2.95Å; Q656-T660 VanDerWaalsContact O-OG1 3.08Å; Q656-A698 HydrophobicContact CG-CB 4.03Å; Q656-S712 PolarHBondContact NE2-O 2.93Å; Q656-S712 VanDerWaalsContact NE2-O 3.08Å; Q656-S712 PolarHBondContact NE2-OG 2.66Å; Q656-S712 PolarHBondContact OE1-OG 3.05Å; Q656-L715 HydrophobicContact CB-CB 4.36Å; Q656-L715 HydrophobicContact CB-CD2 3.41Å; Q656-L715 VanDerWaalsContact CB-CD2 3.41Å; Q656-L715 HydrophobicContact CB-CG 3.74Å; Q656-S716 PolarHBondContact NE2-OG 3.44Å |
| 657 | M | 93.8 | Very high | 88.7 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 17% | 0.167 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 172.2 | -72.4 | -176.8 | 62.6 | 0 | 0 | 111.1 | L628 S631 L653 L654 S659 T660 V661 L715 | L628-M657 HydrophobicContact CD2-CB 4.08Å; L628-M657 HydrophobicContact CD2-CE 4.07Å; L628-M657 HydrophobicContact CD2-CG 4.36Å; S631-M657 VanDerWaalsContact OG-CE 3.28Å; S631-M657 WeakPolarHBondContact OG-CE 3.24Å; S631-M657 WeakPolarHBondContact OG-CG 3.33Å; S631-M657 PolarHBondContact OG-SD 3.48Å; L653-M657 WeakPolarHBondContact O-CG 3.36Å; L653-M657 PolarHBondContact O-N 3.47Å; L654-M657 PolarHBondContact O-N 3.18Å; M657-S659 VanDerWaalsContact C-N 3.33Å; M657-S659 PolarHBondContact O-N 3.31Å; M657-T660 WeakPolarHBondContact O-CB 3.43Å; M657-T660 PolarHBondContact O-N 2.79Å; M657-V661 PolarHBondContact O-N 3.5Å; M657-V661 VanDerWaalsContact O-N 3.1Å; M657-L715 HydrophobicContact CG-CD1 4.49Å; M657-L715 HydrophobicContact CG-CD2 3.71Å |
| 658 | L | 94 | Very high | 89.9 | Confident | 108 Ų | 108 | 52.7 Ų | 52.7 | 57% | 0.565 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.8 | -41.7 | 174.8 | -179.7 | 63.2 | 0 | 0 | 0 | 111.6 | L654 L655 T660 V661 L662 | L654-L658 PolarHBondContact O-N 3.29Å; L655-L658 PolarHBondContact O-N 3.28Å; L658-T660 VanDerWaalsContact C-N 3.28Å; L658-T660 PolarHBondContact O-N 3.42Å; L658-V661 PolarHBondContact O-N 3.3Å; L658-L662 WeakPolarHBondContact O-CB 3.41Å; L658-L662 PolarHBondContact O-N 3.46Å |
| 659 | S | 94.3 | Very high | 90.6 | Very high | 21 Ų | 21 | 52 Ų | 52 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.5 | -39.8 | 173.9 | 174 | 0 | 0 | 0 | 0 | 111.7 | L655 Q656 M657 L662 S663 S719 | L655-S659 WeakPolarHBondContact O-CB 3.34Å; L655-S659 PolarHBondContact O-N 3.45Å; Q656-S659 PolarHBondContact O-N 3.44Å; M657-S659 VanDerWaalsContact C-N 3.33Å; M657-S659 PolarHBondContact O-N 3.31Å; S659-L662 PolarHBondContact O-N 2.94Å; S659-S663 PolarHBondContact O-N 3Å; S659-S663 PolarHBondContact O-OG 3.48Å; S659-S719 WeakPolarHBondContact OG-CB 3.31Å; S659-S719 PolarHBondContact OG-OG 3.45Å |
| 660 | T | 94.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 175.1 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | V627 L628 Q656 M657 L658 L662 S663 M664 L715 L722 | V627-T660 HydrophobicContact CG1-CG2 4.32Å; L628-T660 HydrophobicContact CD2-CG2 4.17Å; L628-T660 HydrophobicContact CG-CG2 4.17Å; Q656-T660 PolarHBondContact O-N 2.85Å; Q656-T660 PolarHBondContact O-OG1 2.95Å; Q656-T660 VanDerWaalsContact O-OG1 3.08Å; M657-T660 WeakPolarHBondContact O-CB 3.43Å; M657-T660 PolarHBondContact O-N 2.79Å; L658-T660 VanDerWaalsContact C-N 3.28Å; L658-T660 PolarHBondContact O-N 3.42Å; T660-L662 VanDerWaalsContact C-N 3.32Å; T660-L662 PolarHBondContact O-N 3.41Å; T660-S663 PolarHBondContact O-N 3.22Å; T660-M664 WeakPolarHBondContact O-CG 3.46Å; T660-M664 PolarHBondContact O-N 2.94Å; T660-L715 WeakPolarHBondContact OG1-CD1 3.31Å; T660-L722 HydrophobicContact CG2-CD1 3.88Å |
| 661 | V | 95.9 | Very high | 90.9 | Very high | 72 Ų | 72 | 50.7 Ų | 50.7 | 44% | 0.436 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 175.2 | 175 | 0 | 0 | 0 | 0 | 111 | L628 M657 L658 M664 Y665 | L628-V661 HydrophobicContact CD1-CG2 3.77Å; L628-V661 HydrophobicContact CD2-CG2 4.18Å; M657-V661 PolarHBondContact O-N 3.5Å; M657-V661 VanDerWaalsContact O-N 3.1Å; L658-V661 PolarHBondContact O-N 3.3Å; V661-M664 WeakPolarHBondContact O-CB 3.45Å; V661-M664 PolarHBondContact O-N 2.91Å; V661-Y665 PolarHBondContact O-N 2.9Å |
| 662 | L | 94.4 | Very high | 90.9 | Very high | 69 Ų | 69 | 49.7 Ų | 49.7 | 36% | 0.361 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 178.5 | -173.8 | 61.6 | 0 | 0 | 0 | 111.3 | L658 S659 T660 M664 Y665 V666 V687 | L658-L662 WeakPolarHBondContact O-CB 3.41Å; L658-L662 PolarHBondContact O-N 3.46Å; S659-L662 PolarHBondContact O-N 2.94Å; T660-L662 VanDerWaalsContact C-N 3.32Å; T660-L662 PolarHBondContact O-N 3.41Å; L662-M664 PolarHBondContact O-N 3.38Å; L662-Y665 PolarHBondContact O-N 3.26Å; L662-V666 WeakPolarHBondContact O-CG2 3.44Å; L662-V666 PolarHBondContact O-N 3.35Å; L662-V687 HydrophobicContact CD1-CG1 4.01Å; L662-V687 HydrophobicContact CD2-CG1 3.4Å; L662-V687 HydrophobicContact CG-CG1 3.48Å; L662-V687 VanDerWaalsContact CG-CG1 3.48Å |
| 663 | S | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.2 | -46.3 | 172.4 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | S659 T660 Y665 V666 V667 S719 | S659-S663 PolarHBondContact O-N 3Å; S659-S663 PolarHBondContact O-OG 3.48Å; T660-S663 PolarHBondContact O-N 3.22Å; S663-Y665 VanDerWaalsContact C-N 3.32Å; S663-Y665 PolarHBondContact O-N 3.06Å; S663-V666 PolarHBondContact O-N 3.05Å; S663-V667 VanDerWaalsContact O-CG2 3.32Å; S663-V667 WeakPolarHBondContact O-CG2 3.35Å; S663-V667 PolarHBondContact O-N 3.41Å; S663-S719 VanDerWaalsContact CB-O 3.29Å; S663-S719 WeakPolarHBondContact CB-O 3.26Å; S663-S719 PolarHBondContact OG-O 2.96Å |
| 664 | M | 94.9 | Very high | 89.7 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 12% | 0.118 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 176.7 | -70.7 | 173.2 | 64.4 | 0 | 0 | 111.7 | M621 L628 T660 V661 L662 Y668 L722 | M621-M664 HydrophobicContact CB-CE 4.35Å; M621-M664 HydrophobicContact CE-CB 3.91Å; M621-M664 HydrophobicContact CE-CE 3.59Å; M621-M664 WeakPolarHBondContact O-CE 3.46Å; M621-M664 HydrophobicContact SD-CB 3.92Å; M621-M664 HydrophobicContact SD-CE 4.06Å; M621-M664 HydrophobicContact SD-CG 4.3Å; L628-M664 HydrophobicContact CD1-SD 4.15Å; T660-M664 WeakPolarHBondContact O-CG 3.46Å; T660-M664 PolarHBondContact O-N 2.94Å; V661-M664 WeakPolarHBondContact O-CB 3.45Å; V661-M664 PolarHBondContact O-N 2.91Å; L662-M664 PolarHBondContact O-N 3.38Å; M664-Y668 WeakPolarHBondContact O-CB 3.49Å; M664-Y668 PolarHBondContact O-N 3.18Å; M664-L722 HydrophobicContact CG-CD1 4.25Å |
| 665 | Y | 94.5 | Very high | 89.1 | Confident | 142 Ų | 142 | 53.4 Ų | 53.4 | 56% | 0.557 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.2 | -44.9 | 176.2 | 175.1 | -97.7 | 0 | 0 | 0 | 112.1 | V661 L662 S663 Y668 S669 | V661-Y665 PolarHBondContact O-N 2.9Å; L662-Y665 PolarHBondContact O-N 3.26Å; S663-Y665 VanDerWaalsContact C-N 3.32Å; S663-Y665 PolarHBondContact O-N 3.06Å; Y665-Y668 PolarHBondContact O-N 2.65Å; Y665-S669 VanDerWaalsContact O-CB 3.25Å; Y665-S669 WeakPolarHBondContact O-CB 3.23Å; Y665-S669 PolarHBondContact O-N 3.33Å |
| 666 | V | 92.2 | Very high | 88.5 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 178.7 | 167.5 | 0 | 0 | 0 | 0 | 111.1 | L662 S663 Y668 S669 T670 N684 V687 L723 | L662-V666 WeakPolarHBondContact O-CG2 3.44Å; L662-V666 PolarHBondContact O-N 3.35Å; S663-V666 PolarHBondContact O-N 3.05Å; V666-Y668 VanDerWaalsContact C-N 3.32Å; V666-Y668 PolarHBondContact O-N 2.7Å; V666-S669 PolarHBondContact O-N 2.88Å; V666-T670 VanDerWaalsContact O-CB 3.25Å; V666-T670 WeakPolarHBondContact O-CB 3.41Å; V666-T670 PolarHBondContact O-N 3.21Å; V666-T670 PolarHBondContact O-OG1 2.75Å; V666-N684 HydrophobicContact CG1-CB 4.01Å; V666-V687 HydrophobicContact CG2-CB 4.04Å; V666-V687 HydrophobicContact CG2-CG1 3.57Å; V666-L723 HydrophobicContact CB-CD2 3.96Å; V666-L723 HydrophobicContact CG1-CD2 3.73Å |
| 667 | V | 87.7 | Confident | 87.2 | Confident | 20 Ų | 20 | 57.5 Ų | 57.5 | 12% | 0.121 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60 | -45.4 | 176.8 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | L617 V620 S663 H671 L722 L723 | L617-V667 HydrophobicContact CD1-CG1 3.54Å; V620-V667 HydrophobicContact CG1-CG1 4.43Å; S663-V667 VanDerWaalsContact O-CG2 3.32Å; S663-V667 WeakPolarHBondContact O-CG2 3.35Å; S663-V667 PolarHBondContact O-N 3.41Å; V667-H671 VanDerWaalsContact O-CB 3.28Å; V667-H671 WeakPolarHBondContact O-CB 3.33Å; V667-H671 PolarHBondContact O-N 2.95Å; V667-L722 WeakPolarHBondContact CG2-O 3.23Å; V667-L723 HydrophobicContact CG2-CD2 4.18Å |
| 668 | Y | 91 | Very high | 86.2 | Confident | 121 Ų | 121 | 62.1 Ų | 62.1 | 48% | 0.475 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.5 | -48 | 177.8 | 178.1 | -90.9 | 0 | 0 | 0 | 112.4 | L617 M664 Y665 V666 H671 H672 | L617-Y668 HydrophobicContact CD2-CD2 3.72Å; L617-Y668 HydrophobicContact CD2-CE2 4.48Å; L617-Y668 HydrophobicContact CD2-CG 4.49Å; M664-Y668 WeakPolarHBondContact O-CB 3.49Å; M664-Y668 PolarHBondContact O-N 3.18Å; Y665-Y668 PolarHBondContact O-N 2.65Å; V666-Y668 VanDerWaalsContact C-N 3.32Å; V666-Y668 PolarHBondContact O-N 2.7Å; Y668-H671 PolarHBondContact O-N 2.88Å; Y668-H672 WeakPolarHBondContact O-CB 3.33Å; Y668-H672 PolarHBondContact O-N 3.06Å |
| 669 | S | 89.6 | Confident | 85 | Confident | 26 Ų | 26 | 57.7 Ų | 57.7 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 179.8 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | Y665 V666 H672 S673 N684 | Y665-S669 VanDerWaalsContact O-CB 3.25Å; Y665-S669 WeakPolarHBondContact O-CB 3.23Å; Y665-S669 PolarHBondContact O-N 3.33Å; V666-S669 PolarHBondContact O-N 2.88Å; S669-H672 PolarHBondContact O-N 2.91Å; S669-S673 VanDerWaalsContact O-CB 3.31Å; S669-S673 WeakPolarHBondContact O-CB 3.48Å; S669-S673 PolarHBondContact O-N 3.18Å; S669-N684 PolarHBondContact OG-ND2 3.17Å |
| 670 | T | 82.8 | Confident | 84.1 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 17% | 0.172 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 176.6 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | V666 H672 S673 L674 L680 N684 | V666-T670 VanDerWaalsContact O-CB 3.25Å; V666-T670 WeakPolarHBondContact O-CB 3.41Å; V666-T670 PolarHBondContact O-N 3.21Å; V666-T670 PolarHBondContact O-OG1 2.75Å; T670-H672 VanDerWaalsContact C-N 3.31Å; T670-H672 PolarHBondContact O-N 2.93Å; T670-S673 PolarHBondContact O-N 3.13Å; T670-L674 HydrophobicContact CG2-CD1 3.94Å; T670-L674 HydrophobicContact CG2-CG 4.36Å; T670-L674 WeakPolarHBondContact O-CB 3.49Å; T670-L674 VanDerWaalsContact O-CG 3.26Å; T670-L674 WeakPolarHBondContact O-CG 3.33Å; T670-L674 PolarHBondContact O-N 3.27Å; T670-L680 HydrophobicContact CG2-CD2 3.72Å; T670-N684 PolarHBondContact N-ND2 3.07Å; T670-N684 PolarHBondContact OG1-ND2 2.93Å |
| 671 | H | 82.3 | Confident | 83.6 | Confident | 59 Ų | 59 | 63.5 Ų | 63.5 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 176.7 | -176 | 65.4 | 0 | 0 | 0 | 111.8 | L617 V667 Y668 L674 L675 | L617-H671 HydrophobicContact CD2-CB 4.34Å; V667-H671 VanDerWaalsContact O-CB 3.28Å; V667-H671 WeakPolarHBondContact O-CB 3.33Å; V667-H671 PolarHBondContact O-N 2.95Å; Y668-H671 PolarHBondContact O-N 2.88Å; H671-L674 PolarHBondContact O-N 3.31Å; H671-L675 WeakPolarHBondContact NE2-CD1 3.47Å; H671-L675 WeakPolarHBondContact O-CG 3.28Å; H671-L675 PolarHBondContact O-N 2.94Å |
| 672 | H | 84.6 | Confident | 83.1 | Confident | 80 Ų | 80 | 65.4 Ų | 65.4 | 37% | 0.37 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.9 | -38.5 | 179.5 | -163.5 | 62.7 | 0 | 0 | 0 | 113.2 | Y668 S669 T670 L675 K676 | Y668-H672 WeakPolarHBondContact O-CB 3.33Å; Y668-H672 PolarHBondContact O-N 3.06Å; S669-H672 PolarHBondContact O-N 2.91Å; T670-H672 VanDerWaalsContact C-N 3.31Å; T670-H672 PolarHBondContact O-N 2.93Å; H672-L675 PolarHBondContact O-N 3.31Å; H672-K676 WeakPolarHBondContact NE2-CE 3.42Å; H672-K676 WeakPolarHBondContact O-CB 3.19Å; H672-K676 WeakPolarHBondContact O-CG 3.11Å; H672-K676 PolarHBondContact O-N 3.36Å |
| 673 | S | 77.6 | Confident | 82.9 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 4% | 0.035 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 176.3 | -169.9 | 0 | 0 | 0 | 0 | 111.2 | S669 T670 K676 K677 E678 G679 P681 | S669-S673 VanDerWaalsContact O-CB 3.31Å; S669-S673 WeakPolarHBondContact O-CB 3.48Å; S669-S673 PolarHBondContact O-N 3.18Å; T670-S673 PolarHBondContact O-N 3.13Å; S673-K676 CarbonylContact O-C 3.24Å; S673-K676 PolarHBondContact O-N 3.28Å; S673-K677 PolarHBondContact O-N 3.38Å; S673-E678 PolarHBondContact O-N 3.4Å; S673-E678 WeakPolarHBondContact OG-CB 3.35Å; S673-G679 PolarHBondContact OG-O 3.03Å; S673-G679 VanDerWaalsContact OG-O 3.08Å; S673-P681 WeakPolarHBondContact OG-CG 3.47Å |
| 674 | L | 72.9 | Confident | 82.7 | Confident | 92 Ų | 92 | 69 Ų | 69 | 48% | 0.482 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.3 | -41.4 | 173.5 | -67.9 | 174.6 | 0 | 0 | 0 | 112.1 | T670 H671 K676 K677 L680 | T670-L674 HydrophobicContact CG2-CD1 3.94Å; T670-L674 HydrophobicContact CG2-CG 4.36Å; T670-L674 WeakPolarHBondContact O-CB 3.49Å; T670-L674 VanDerWaalsContact O-CG 3.26Å; T670-L674 WeakPolarHBondContact O-CG 3.33Å; T670-L674 PolarHBondContact O-N 3.27Å; H671-L674 PolarHBondContact O-N 3.31Å; L674-K676 VanDerWaalsContact C-N 3.26Å; L674-K676 PolarHBondContact O-N 3.09Å; L674-K677 PolarHBondContact O-N 2.87Å; L674-L680 HydrophobicContact CD2-CD2 4.45Å; L674-L680 HydrophobicContact CD2-CG 4.38Å |
| 675 | L | 75.3 | Confident | 82.2 | Confident | 114 Ų | 114 | 71.8 Ų | 71.8 | 60% | 0.597 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.1 | -36.2 | 173.2 | -76.5 | 176.7 | 0 | 0 | 0 | 112.3 | H671 H672 K677 | H671-L675 WeakPolarHBondContact NE2-CD1 3.47Å; H671-L675 WeakPolarHBondContact O-CG 3.28Å; H671-L675 PolarHBondContact O-N 2.94Å; H672-L675 PolarHBondContact O-N 3.31Å; L675-K677 VanDerWaalsContact C-N 3.29Å |
| 676 | K | 78.4 | Confident | 82 | Confident | 109 Ų | 109 | 69.5 Ų | 69.5 | 47% | 0.474 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -4.5 | 175.3 | -74.6 | 177.2 | 160.7 | -173.6 | 0 | 114.2 | H672 S673 L674 E678 | H672-K676 WeakPolarHBondContact NE2-CE 3.42Å; H672-K676 WeakPolarHBondContact O-CB 3.19Å; H672-K676 WeakPolarHBondContact O-CG 3.11Å; H672-K676 PolarHBondContact O-N 3.36Å; S673-K676 CarbonylContact O-C 3.24Å; S673-K676 PolarHBondContact O-N 3.28Å; L674-K676 VanDerWaalsContact C-N 3.26Å; L674-K676 PolarHBondContact O-N 3.09Å; K676-E678 HydrophobicContact CB-CG 4.04Å; K676-E678 PolarHBondContact O-N 3.29Å |
| 677 | K | 67.1 | Low | 81.9 | Confident | 80 Ų | 80 | 71 Ų | 71 | 35% | 0.348 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 28 | -177.5 | -48.8 | 179.3 | 176.6 | -173.6 | 0 | 114.2 | H169 E226 S673 L674 L675 G679 | H169-K677 PolarHBondContact CE1-O 3.34Å; E226-K677 IonicContact OE1-NZ 3.24Å; E226-K677 PolarHBondContact OE1-NZ 2.9Å; S673-K677 PolarHBondContact O-N 3.38Å; L674-K677 PolarHBondContact O-N 2.87Å; L675-K677 VanDerWaalsContact C-N 3.29Å; K677-G679 PolarHBondContact O-N 2.95Å |
| 678 | E | 71.6 | Confident | 81.9 | Confident | 130 Ų | 130 | 71.8 Ų | 71.8 | 61% | 0.607 | 36% | 0.362 | S | S | * | . | trans | -83.4 | 3.1 | 177.1 | -68.5 | 168.3 | 177 | 0 | 0 | 112.3 | S673 K676 | S673-E678 PolarHBondContact O-N 3.4Å; S673-E678 WeakPolarHBondContact OG-CB 3.35Å; K676-E678 HydrophobicContact CB-CG 4.04Å; K676-E678 PolarHBondContact O-N 3.29Å | ||
| 679 | G | 69.9 | Low | 81.9 | Confident | 15 Ų | 15 | 73.1 Ų | 73.1 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | trans | 78.9 | -156.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | S673 K677 P681 | S673-G679 PolarHBondContact OG-O 3.03Å; S673-G679 VanDerWaalsContact OG-O 3.08Å; K677-G679 PolarHBondContact O-N 2.95Å; G679-P681 WeakPolarHBondContact O-CD 3.38Å | ||
| 680 | L | 74.9 | Confident | 82 | Confident | 107 Ų | 107 | 74.6 Ų | 74.6 | 56% | 0.56 | 38% | 0.38 | S | S | * | . | trans | -99.1 | 108.9 | 178.3 | -77.5 | 161.9 | 0 | 0 | 0 | 110.4 | T670 L674 L682 Q685 | T670-L680 HydrophobicContact CG2-CD2 3.72Å; L674-L680 HydrophobicContact CD2-CD2 4.45Å; L674-L680 HydrophobicContact CD2-CG 4.38Å; L680-L682 PolarHBondContact O-N 2.95Å; L680-Q685 PolarHBondContact O-NE2 3.46Å; L680-Q685 VanDerWaalsContact O-NE2 3.09Å | ||
| 681 | P | 84.5 | Confident | 82.3 | Confident | 37 Ų | 37 | 73.5 Ų | 73.5 | 24% | 0.24 | 37% | 0.373 | C | S | . | . | trans | -60.3 | 130.5 | -177.6 | -24.2 | 34.2 | 0 | 0 | 0 | 112.5 | S673 G679 M683 N684 Q685 | S673-P681 WeakPolarHBondContact OG-CG 3.47Å; G679-P681 WeakPolarHBondContact O-CD 3.38Å; P681-M683 PolarHBondContact O-N 3.34Å; P681-N684 HydrophobicContact CB-CB 4.28Å; P681-N684 WeakPolarHBondContact O-CB 3.45Å; P681-N684 PolarHBondContact O-N 3.27Å; P681-Q685 PolarHBondContact O-N 2.9Å | ||
| 682 | L | 86.2 | Confident | 82.7 | Confident | 112 Ų | 112 | 72.5 Ų | 72.5 | 59% | 0.586 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -55 | -39.4 | -179.4 | -178.8 | 65.8 | 0 | 0 | 0 | 112.6 | L680 N684 Q685 I686 | L680-L682 PolarHBondContact O-N 2.95Å; L682-N684 VanDerWaalsContact C-N 3.3Å; L682-N684 PolarHBondContact O-N 3.24Å; L682-Q685 WeakPolarHBondContact O-CB 3.4Å; L682-Q685 PolarHBondContact O-N 3.49Å; L682-Q685 VanDerWaalsContact O-N 3.17Å; L682-I686 HydrophobicContact CG-CD1 4.06Å; L682-I686 WeakPolarHBondContact O-CG1 3.26Å; L682-I686 PolarHBondContact O-N 2.78Å |
| 683 | M | 89.3 | Confident | 82.9 | Confident | 130 Ų | 130 | 71.5 Ų | 71.5 | 64% | 0.64 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.2 | -36.9 | 178.3 | -67.3 | -61.4 | 152.5 | 0 | 0 | 112.3 | P681 Q685 I686 V687 | P681-M683 PolarHBondContact O-N 3.34Å; M683-Q685 VanDerWaalsContact C-N 3.32Å; M683-Q685 PolarHBondContact O-N 3.21Å; M683-I686 PolarHBondContact O-N 3.47Å; M683-I686 HydrophobicContact SD-CD1 4.35Å; M683-V687 WeakPolarHBondContact O-CB 3.37Å; M683-V687 VanDerWaalsContact O-CG2 3.26Å; M683-V687 WeakPolarHBondContact O-CG2 3.44Å; M683-V687 PolarHBondContact O-N 2.92Å |
| 684 | N | 88.6 | Confident | 83.6 | Confident | 13 Ų | 13 | 73.8 Ų | 73.8 | 7% | 0.07 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.1 | -36.7 | 176.6 | -69.7 | 5.6 | 0 | 0 | 0 | 110.8 | V666 S669 T670 P681 L682 S688 | V666-N684 HydrophobicContact CG1-CB 4.01Å; S669-N684 PolarHBondContact OG-ND2 3.17Å; T670-N684 PolarHBondContact N-ND2 3.07Å; T670-N684 PolarHBondContact OG1-ND2 2.93Å; P681-N684 HydrophobicContact CB-CB 4.28Å; P681-N684 WeakPolarHBondContact O-CB 3.45Å; P681-N684 PolarHBondContact O-N 3.27Å; L682-N684 VanDerWaalsContact C-N 3.3Å; L682-N684 PolarHBondContact O-N 3.24Å; N684-S688 WeakPolarHBondContact O-CB 3.25Å; N684-S688 PolarHBondContact O-N 2.86Å; N684-S688 PolarHBondContact O-OG 3.11Å |
| 685 | Q | 84.5 | Confident | 84.4 | Confident | 84 Ų | 84 | 69.5 Ų | 69.5 | 39% | 0.393 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.4 | -49.6 | 175.6 | -58.2 | 179.2 | 37.3 | 0 | 0 | 111.2 | L680 P681 L682 M683 V687 S688 W689 | L680-Q685 PolarHBondContact O-NE2 3.46Å; L680-Q685 VanDerWaalsContact O-NE2 3.09Å; P681-Q685 PolarHBondContact O-N 2.9Å; L682-Q685 WeakPolarHBondContact O-CB 3.4Å; L682-Q685 PolarHBondContact O-N 3.49Å; L682-Q685 VanDerWaalsContact O-N 3.17Å; M683-Q685 VanDerWaalsContact C-N 3.32Å; M683-Q685 PolarHBondContact O-N 3.21Å; Q685-V687 VanDerWaalsContact C-N 3.34Å; Q685-V687 PolarHBondContact O-N 3.09Å; Q685-S688 PolarHBondContact O-N 3.48Å; Q685-W689 PolarHBondContact O-N 3.06Å |
| 686 | I | 90.3 | Very high | 85.1 | Confident | 93 Ų | 93 | 69.7 Ų | 69.7 | 48% | 0.477 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58 | -47.5 | 178.9 | -66.1 | 167.8 | 0 | 0 | 0 | 110.7 | L682 M683 S688 W689 A690 | L682-I686 HydrophobicContact CG-CD1 4.06Å; L682-I686 WeakPolarHBondContact O-CG1 3.26Å; L682-I686 PolarHBondContact O-N 2.78Å; M683-I686 PolarHBondContact O-N 3.47Å; M683-I686 HydrophobicContact SD-CD1 4.35Å; I686-S688 VanDerWaalsContact C-N 3.32Å; I686-S688 PolarHBondContact O-N 2.82Å; I686-W689 PolarHBondContact O-N 2.96Å; I686-A690 WeakPolarHBondContact O-CB 3.44Å; I686-A690 PolarHBondContact O-N 3.24Å |
| 687 | V | 90.6 | Very high | 85.6 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 179.3 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | L662 V666 M683 Q685 A690 T691 | L662-V687 HydrophobicContact CD1-CG1 4.01Å; L662-V687 HydrophobicContact CD2-CG1 3.4Å; L662-V687 HydrophobicContact CG-CG1 3.48Å; L662-V687 VanDerWaalsContact CG-CG1 3.48Å; V666-V687 HydrophobicContact CG2-CB 4.04Å; V666-V687 HydrophobicContact CG2-CG1 3.57Å; M683-V687 WeakPolarHBondContact O-CB 3.37Å; M683-V687 VanDerWaalsContact O-CG2 3.26Å; M683-V687 WeakPolarHBondContact O-CG2 3.44Å; M683-V687 PolarHBondContact O-N 2.92Å; Q685-V687 VanDerWaalsContact C-N 3.34Å; Q685-V687 PolarHBondContact O-N 3.09Å; V687-A690 PolarHBondContact O-N 3.37Å; V687-T691 VanDerWaalsContact O-CB 3.28Å; V687-T691 WeakPolarHBondContact O-CB 3.49Å; V687-T691 PolarHBondContact O-N 3.05Å; V687-T691 PolarHBondContact O-OG1 3.39Å |
| 688 | S | 88.6 | Confident | 86.6 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 25% | 0.245 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 178.3 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | N684 Q685 I686 T691 L692 | N684-S688 WeakPolarHBondContact O-CB 3.25Å; N684-S688 PolarHBondContact O-N 2.86Å; N684-S688 PolarHBondContact O-OG 3.11Å; Q685-S688 PolarHBondContact O-N 3.48Å; I686-S688 VanDerWaalsContact C-N 3.32Å; I686-S688 PolarHBondContact O-N 2.82Å; S688-T691 PolarHBondContact O-N 3.21Å; S688-L692 PolarHBondContact O-N 2.94Å |
| 689 | W | 90 | Very high | 87.4 | Confident | 149 Ų | 149 | 59.9 Ų | 59.9 | 56% | 0.564 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.8 | -42.4 | 176.5 | -75.5 | 115.4 | 0 | 0 | 0 | 112.5 | Q685 I686 T691 L692 A693 | Q685-W689 PolarHBondContact O-N 3.06Å; I686-W689 PolarHBondContact O-N 2.96Å; W689-T691 VanDerWaalsContact C-N 3.33Å; W689-T691 PolarHBondContact O-N 2.86Å; W689-L692 HydrophobicContact CE3-CD2 3.79Å; W689-L692 HydrophobicContact CZ3-CD2 3.67Å; W689-L692 PolarHBondContact O-N 3.33Å; W689-A693 PolarHBondContact O-N 2.93Å |
| 690 | A | 91.1 | Very high | 88.3 | Confident | 57 Ų | 57 | 65.4 Ų | 65.4 | 47% | 0.471 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I686 V687 S694 | I686-A690 WeakPolarHBondContact O-CB 3.44Å; I686-A690 PolarHBondContact O-N 3.24Å; V687-A690 PolarHBondContact O-N 3.37Å; A690-S694 VanDerWaalsContact O-CB 3.27Å; A690-S694 WeakPolarHBondContact O-CB 3.42Å; A690-S694 PolarHBondContact O-N 3.01Å; A690-S694 PolarHBondContact O-OG 3.34Å |
| 691 | T | 90.6 | Very high | 88.9 | Confident | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 176.5 | -60.8 | 0 | 0 | 0 | 0 | 111 | V687 S688 W689 S694 S695 L723 | V687-T691 VanDerWaalsContact O-CB 3.28Å; V687-T691 WeakPolarHBondContact O-CB 3.49Å; V687-T691 PolarHBondContact O-N 3.05Å; V687-T691 PolarHBondContact O-OG1 3.39Å; S688-T691 PolarHBondContact O-N 3.21Å; W689-T691 VanDerWaalsContact C-N 3.33Å; W689-T691 PolarHBondContact O-N 2.86Å; T691-S694 WeakPolarHBondContact CA-OG 3.42Å; T691-S694 PolarHBondContact O-N 3.04Å; T691-S694 PolarHBondContact O-OG 3.36Å; T691-S694 VanDerWaalsContact O-OG 3.12Å; T691-S695 VanDerWaalsContact O-CB 3.26Å; T691-S695 WeakPolarHBondContact O-CB 3.27Å; T691-S695 PolarHBondContact O-N 3Å; T691-L723 HydrophobicContact CG2-CD1 3.8Å |
| 692 | L | 89.4 | Confident | 88.9 | Confident | 38 Ų | 38 | 64.9 Ų | 64.9 | 20% | 0.199 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.9 | -52.8 | 174.5 | 176.5 | 67.8 | 0 | 0 | 0 | 111.6 | S688 W689 S694 S695 T720 L826 | S688-L692 PolarHBondContact O-N 2.94Å; W689-L692 HydrophobicContact CE3-CD2 3.79Å; W689-L692 HydrophobicContact CZ3-CD2 3.67Å; W689-L692 PolarHBondContact O-N 3.33Å; L692-S694 PolarHBondContact O-N 3.29Å; L692-S695 PolarHBondContact O-N 3.48Å; L692-S695 PolarHBondContact O-OG 2.99Å; L692-T720 HydrophobicContact CD1-CG2 3.55Å; L692-L826 HydrophobicContact CD1-CD2 3.99Å; L692-L826 HydrophobicContact CD2-CD2 3.32Å; L692-L826 HydrophobicContact CG-CD2 4.29Å |
| 693 | A | 90.2 | Very high | 88.8 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 50% | 0.496 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.7 | -45.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | W689 S695 L696 | W689-A693 PolarHBondContact O-N 2.93Å; A693-S695 VanDerWaalsContact C-N 3.29Å; A693-S695 PolarHBondContact O-N 2.99Å; A693-L696 PolarHBondContact O-N 3.31Å |
| 694 | S | 90.8 | Very high | 88.5 | Confident | 52 Ų | 52 | 55.8 Ų | 55.8 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67 | -29.4 | 179.4 | 60.1 | 0 | 0 | 0 | 0 | 113 | A690 T691 L692 L696 V697 A698 | A690-S694 VanDerWaalsContact O-CB 3.27Å; A690-S694 WeakPolarHBondContact O-CB 3.42Å; A690-S694 PolarHBondContact O-N 3.01Å; A690-S694 PolarHBondContact O-OG 3.34Å; T691-S694 WeakPolarHBondContact CA-OG 3.42Å; T691-S694 PolarHBondContact O-N 3.04Å; T691-S694 PolarHBondContact O-OG 3.36Å; T691-S694 VanDerWaalsContact O-OG 3.12Å; L692-S694 PolarHBondContact O-N 3.29Å; S694-L696 PolarHBondContact O-N 3.37Å; S694-V697 PolarHBondContact O-N 2.96Å; S694-A698 VanDerWaalsContact O-CB 3.3Å; S694-A698 WeakPolarHBondContact O-CB 3.22Å; S694-A698 PolarHBondContact O-N 3.34Å |
| 695 | S | 90.9 | Very high | 88.2 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.2 | -31.3 | 179.1 | 76.2 | 0 | 0 | 0 | 0 | 113.5 | T691 L692 A693 P699 S716 T720 | T691-S695 VanDerWaalsContact O-CB 3.26Å; T691-S695 WeakPolarHBondContact O-CB 3.27Å; T691-S695 PolarHBondContact O-N 3Å; L692-S695 PolarHBondContact O-N 3.48Å; L692-S695 PolarHBondContact O-OG 2.99Å; A693-S695 VanDerWaalsContact C-N 3.29Å; A693-S695 PolarHBondContact O-N 2.99Å; S695-P699 WeakPolarHBondContact O-CD 3.45Å; S695-P699 WeakPolarHBondContact O-CG 3.49Å; S695-S716 VanDerWaalsContact C-OG 3.32Å; S695-S716 VanDerWaalsContact CA-OG 3.23Å; S695-S716 WeakPolarHBondContact CA-OG 3.34Å; S695-S716 VanDerWaalsContact CB-O 3.31Å; S695-S716 WeakPolarHBondContact CB-O 3.44Å; S695-S716 VanDerWaalsContact O-CB 3.32Å; S695-S716 WeakPolarHBondContact O-CB 3.36Å; S695-S716 PolarHBondContact O-OG 2.9Å; S695-T720 WeakPolarHBondContact CB-OG1 3.07Å; S695-T720 PolarHBondContact OG-OG1 3.41Å; S695-T720 VanDerWaalsContact OG-OG1 3.05Å |
| 696 | L | 89.2 | Confident | 88 | Confident | 117 Ų | 117 | 52.9 Ų | 52.9 | 61% | 0.613 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -82 | -30.3 | -180 | -60.8 | 176.5 | 0 | 0 | 0 | 112.1 | A693 S694 | A693-L696 PolarHBondContact O-N 3.31Å; S694-L696 PolarHBondContact O-N 3.37Å |
| 697 | V | 89.9 | Confident | 87.5 | Confident | 80 Ų | 80 | 49.7 Ų | 49.7 | 49% | 0.485 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -89.9 | -40.7 | -175.6 | -179.1 | 0 | 0 | 0 | 0 | 112.1 | S694 P699 L700 L701 | S694-V697 PolarHBondContact O-N 2.96Å; V697-P699 VanDerWaalsContact C-CD 3.42Å; V697-P699 VanDerWaalsContact C-N 3.34Å; V697-L700 WeakPolarHBondContact O-CB 3.49Å; V697-L700 PolarHBondContact O-N 3.4Å; V697-L701 HydrophobicContact CG1-CD1 4.36Å |
| 698 | A | 88.3 | Confident | 87.1 | Confident | 18 Ų | 18 | 49 Ų | 49 | 15% | 0.149 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.9 | -38.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q656 S694 L700 L701 S702 | Q656-A698 HydrophobicContact CG-CB 4.03Å; S694-A698 VanDerWaalsContact O-CB 3.3Å; S694-A698 WeakPolarHBondContact O-CB 3.22Å; S694-A698 PolarHBondContact O-N 3.34Å; A698-L700 PolarHBondContact O-N 3.41Å; A698-L701 PolarHBondContact O-N 3.42Å; A698-L701 VanDerWaalsContact O-N 3.17Å; A698-S702 PolarHBondContact O-N 2.87Å |
| 699 | P | 88.4 | Confident | 87 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.6 | -12.5 | 176.2 | -20.4 | 34.2 | 0 | 0 | 0 | 114.1 | S695 V697 S702 R709 I713 S716 | S695-P699 WeakPolarHBondContact O-CD 3.45Å; S695-P699 WeakPolarHBondContact O-CG 3.49Å; V697-P699 VanDerWaalsContact C-CD 3.42Å; V697-P699 VanDerWaalsContact C-N 3.34Å; P699-S702 PolarHBondContact O-OG 3.42Å; P699-S702 VanDerWaalsContact O-OG 3.08Å; P699-R709 VanDerWaalsContact O-CD 3.27Å; P699-R709 WeakPolarHBondContact O-CD 3.34Å; P699-R709 PolarHBondContact O-NH1 3.38Å; P699-I713 HydrophobicContact CB-CG1 3.78Å; P699-I713 HydrophobicContact CG-CG1 4.5Å; P699-S716 WeakPolarHBondContact CD-OG 3.26Å; P699-S716 VanDerWaalsContact CG-CB 3.44Å; P699-S716 WeakPolarHBondContact CG-OG 3.4Å |
| 700 | L | 87.6 | Confident | 86.9 | Confident | 132 Ų | 132 | 44.3 Ų | 44.3 | 69% | 0.691 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -82.1 | -30.4 | 174.2 | -58.6 | 175 | 0 | 0 | 0 | 111.1 | V697 A698 R709 | V697-L700 WeakPolarHBondContact O-CB 3.49Å; V697-L700 PolarHBondContact O-N 3.4Å; A698-L700 PolarHBondContact O-N 3.41Å; L700-R709 VanDerWaalsContact C-NH1 3.3Å; L700-R709 PolarHBondContact O-NH1 3.46Å |
| 701 | L | 87.7 | Confident | 86.7 | Confident | 119 Ų | 119 | 42.8 Ų | 42.8 | 62% | 0.623 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -84.1 | -8.3 | -178.5 | -56.9 | 177.1 | 0 | 0 | 0 | 113.8 | V652 V697 A698 | V652-L701 HydrophobicContact CG2-CB 4.2Å; V697-L701 HydrophobicContact CG1-CD1 4.36Å; A698-L701 PolarHBondContact O-N 3.42Å; A698-L701 VanDerWaalsContact O-N 3.17Å |
| 702 | S | 85.6 | Confident | 86.7 | Confident | 14 Ų | 14 | 42.6 Ų | 42.6 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -80.9 | 176.9 | 179 | 61.7 | 0 | 0 | 0 | 0 | 113.4 | A698 P699 R709 S712 | A698-S702 PolarHBondContact O-N 2.87Å; P699-S702 PolarHBondContact O-OG 3.42Å; P699-S702 VanDerWaalsContact O-OG 3.08Å; S702-R709 PolarHBondContact O-NH1 2.94Å; S702-R709 PolarHBondContact O-NH2 2.87Å; S702-R709 PolarHBondContact OG-NH1 3.45Å; S702-R709 VanDerWaalsContact OG-NH1 3.08Å; S702-S712 WeakPolarHBondContact CB-OG 3.39Å; S702-S712 VanDerWaalsContact OG-CB 3.29Å; S702-S712 WeakPolarHBondContact OG-CB 3.25Å; S702-S712 PolarHBondContact OG-OG 2.64Å |
| 703 | S | 83.8 | Confident | 86.8 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | trans | -63.1 | 145 | -179.8 | -163.7 | 0 | 0 | 0 | 0 | 112.6 | E649 A705 Q708 R709 | E649-S703 WeakPolarHBondContact OE1-CA 3.44Å; E649-S703 WeakPolarHBondContact OE1-CB 3.35Å; E649-S703 PolarHBondContact OE1-OG 3.29Å; S703-A705 PolarHBondContact O-N 3.43Å; S703-A705 PolarHBondContact OG-N 2.94Å; S703-Q708 PolarHBondContact OG-OE1 3.34Å; S703-R709 WeakPolarHBondContact O-CB 3.46Å; S703-R709 PolarHBondContact O-NE 2.96Å; S703-R709 PolarHBondContact O-NH2 3.46Å | ||
| 704 | T | 82.1 | Confident | 86.8 | Confident | 36 Ų | 36 | 42 Ų | 42 | 22% | 0.221 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -76.6 | -7.4 | 175.6 | 61.7 | 0 | 0 | 0 | 0 | 112.6 | L706 R709 Q766 F767 T768 | T704-L706 PolarHBondContact O-N 3.04Å; T704-R709 VanDerWaalsContact CA-NH2 3.32Å; T704-Q766 CarbonylContact O-C 3.56Å; T704-Q766 WeakPolarHBondContact O-CA 3.42Å; T704-F767 WeakPolarHBondContact O-CD2 3.44Å; T704-F767 PolarHBondContact O-N 2.89Å; T704-T768 HydrophobicContact CG2-CG2 3.46Å; T704-T768 VanDerWaalsContact CG2-CG2 3.46Å; T704-T768 PolarHBondContact OG1-OG1 3.27Å |
| 705 | A | 81.6 | Confident | 86.9 | Confident | 12 Ų | 12 | 39.7 Ų | 39.7 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -63.3 | 130.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S703 S707 Q708 R709 | S703-A705 PolarHBondContact O-N 3.43Å; S703-A705 PolarHBondContact OG-N 2.94Å; A705-S707 PolarHBondContact O-N 3Å; A705-Q708 HydrophobicContact CB-CB 4.34Å; A705-Q708 HydrophobicContact CB-CG 4.48Å; A705-Q708 PolarHBondContact O-N 3.43Å; A705-R709 WeakPolarHBondContact O-CB 3.47Å; A705-R709 PolarHBondContact O-N 2.85Å |
| 706 | L | 81.9 | Confident | 86.9 | Confident | 24 Ų | 24 | 39.7 Ų | 39.7 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -50 | -53.5 | -170.6 | 178 | 64 | 0 | 0 | 0 | 113.1 | T704 Q708 R709 L710 L762 I765 F767 | T704-L706 PolarHBondContact O-N 3.04Å; L706-Q708 VanDerWaalsContact C-N 3.34Å; L706-Q708 PolarHBondContact O-N 3.31Å; L706-R709 PolarHBondContact O-N 2.79Å; L706-L710 HydrophobicContact CD1-CD1 3.83Å; L706-L710 HydrophobicContact CD1-CG 4.12Å; L706-L710 HydrophobicContact CG-CD1 4.1Å; L706-L710 WeakPolarHBondContact O-CB 3.44Å; L706-L710 VanDerWaalsContact O-CG 3.26Å; L706-L710 WeakPolarHBondContact O-CG 3.45Å; L706-L710 PolarHBondContact O-N 3.29Å; L706-L762 HydrophobicContact CD2-CD2 4.1Å; L706-L762 HydrophobicContact CD2-CG 4.31Å; L706-I765 HydrophobicContact CB-CB 4.13Å; L706-I765 HydrophobicContact CB-CG2 4.25Å; L706-I765 WeakPolarHBondContact CB-O 3.27Å; L706-I765 HydrophobicContact CD2-CB 4.2Å; L706-I765 HydrophobicContact CD2-CD1 4.2Å; L706-I765 HydrophobicContact CD2-CG2 4.14Å; L706-I765 PolarHBondContact N-O 3.17Å; L706-F767 HydrophobicContact CB-CE2 4.47Å; L706-F767 HydrophobicContact CD1-CD2 4.38Å; L706-F767 HydrophobicContact CD1-CE2 3.5Å; L706-F767 VanDerWaalsContact CD1-CE2 3.5Å; L706-F767 HydrophobicContact CD1-CZ 3.6Å |
| 707 | S | 79.2 | Confident | 87 | Confident | 26 Ų | 26 | 38.4 Ų | 38.4 | 18% | 0.182 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.7 | -34.9 | -177.5 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | A705 A711 | A705-S707 PolarHBondContact O-N 3Å; S707-A711 WeakPolarHBondContact O-CB 3.45Å; S707-A711 PolarHBondContact O-N 2.82Å |
| 708 | Q | 82 | Confident | 87.1 | Confident | 24 Ų | 24 | 34.7 Ų | 34.7 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -77 | -40.9 | 179.9 | -70.1 | 174.4 | -14.6 | 0 | 0 | 111.1 | L638 S703 A705 L706 A711 S712 | L638-Q708 HydrophobicContact CD1-CG 3.9Å; L638-Q708 HydrophobicContact CD2-CG 4.21Å; S703-Q708 PolarHBondContact OG-OE1 3.34Å; A705-Q708 HydrophobicContact CB-CB 4.34Å; A705-Q708 HydrophobicContact CB-CG 4.48Å; A705-Q708 PolarHBondContact O-N 3.43Å; L706-Q708 VanDerWaalsContact C-N 3.34Å; L706-Q708 PolarHBondContact O-N 3.31Å; Q708-A711 PolarHBondContact O-N 2.73Å; Q708-S712 WeakPolarHBondContact O-CB 3.37Å; Q708-S712 PolarHBondContact O-N 3.36Å |
| 709 | R | 87.1 | Confident | 87.3 | Confident | 29 Ų | 29 | 33.9 Ų | 33.9 | 11% | 0.109 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -46.1 | 175.1 | -173.8 | 70.5 | 68.2 | -175.5 | 0.7 | 111.4 | P699 L700 S702 S703 T704 A705 L706 A711 S712 I713 F767 | P699-R709 VanDerWaalsContact O-CD 3.27Å; P699-R709 WeakPolarHBondContact O-CD 3.34Å; P699-R709 PolarHBondContact O-NH1 3.38Å; L700-R709 VanDerWaalsContact C-NH1 3.3Å; L700-R709 PolarHBondContact O-NH1 3.46Å; S702-R709 PolarHBondContact O-NH1 2.94Å; S702-R709 PolarHBondContact O-NH2 2.87Å; S702-R709 PolarHBondContact OG-NH1 3.45Å; S702-R709 VanDerWaalsContact OG-NH1 3.08Å; S703-R709 WeakPolarHBondContact O-CB 3.46Å; S703-R709 PolarHBondContact O-NE 2.96Å; S703-R709 PolarHBondContact O-NH2 3.46Å; T704-R709 VanDerWaalsContact CA-NH2 3.32Å; A705-R709 WeakPolarHBondContact O-CB 3.47Å; A705-R709 PolarHBondContact O-N 2.85Å; L706-R709 PolarHBondContact O-N 2.79Å; R709-A711 PolarHBondContact O-N 3.32Å; R709-S712 WeakPolarHBondContact O-CB 3.18Å; R709-S712 PolarHBondContact O-N 3.08Å; R709-I713 HydrophobicContact CG-CD1 3.99Å; R709-I713 VanDerWaalsContact O-CG1 3.3Å; R709-I713 WeakPolarHBondContact O-CG1 3.37Å; R709-I713 PolarHBondContact O-N 3.48Å; R709-F767 HydrophobicContact CB-CD2 3.71Å; R709-F767 HydrophobicContact CB-CE2 3.58Å; R709-F767 HydrophobicContact CG-CD2 3.68Å; R709-F767 HydrophobicContact CG-CE2 3.56Å; R709-F767 HydrophobicContact CG-CZ 4.34Å |
| 710 | L | 87.8 | Confident | 87.4 | Confident | 55 Ų | 55 | 34 Ų | 34 | 29% | 0.288 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 177.7 | -70.5 | 176.5 | 0 | 0 | 0 | 112.1 | L706 S712 I713 L714 F741 I744 F767 | L706-L710 HydrophobicContact CD1-CD1 3.83Å; L706-L710 HydrophobicContact CD1-CG 4.12Å; L706-L710 HydrophobicContact CG-CD1 4.1Å; L706-L710 WeakPolarHBondContact O-CB 3.44Å; L706-L710 VanDerWaalsContact O-CG 3.26Å; L706-L710 WeakPolarHBondContact O-CG 3.45Å; L706-L710 PolarHBondContact O-N 3.29Å; L710-S712 VanDerWaalsContact C-N 3.33Å; L710-S712 PolarHBondContact O-N 2.68Å; L710-I713 PolarHBondContact O-N 3.3Å; L710-L714 WeakPolarHBondContact O-CB 3.25Å; L710-L714 PolarHBondContact O-N 3.12Å; L710-F741 HydrophobicContact CD1-CD2 4.5Å; L710-I744 HydrophobicContact CD1-CD1 3.85Å; L710-F767 HydrophobicContact CD2-CZ 4.49Å |
| 711 | A | 87.2 | Confident | 87.5 | Confident | 25 Ų | 25 | 31 Ų | 31 | 21% | 0.207 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -40.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | V634 S707 Q708 R709 L714 L715 | V634-A711 HydrophobicContact CG1-CB 4.27Å; S707-A711 WeakPolarHBondContact O-CB 3.45Å; S707-A711 PolarHBondContact O-N 2.82Å; Q708-A711 PolarHBondContact O-N 2.73Å; R709-A711 PolarHBondContact O-N 3.32Å; A711-L714 PolarHBondContact O-N 3.47Å; A711-L715 WeakPolarHBondContact O-CB 3.17Å; A711-L715 PolarHBondContact O-N 3.19Å |
| 712 | S | 90.4 | Very high | 87.6 | Confident | 2 Ų | 2 | 25.3 Ų | 25.3 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -42.3 | 175.9 | -178.1 | 0 | 0 | 0 | 0 | 112.2 | Q656 S702 Q708 R709 L710 L715 S716 | Q656-S712 PolarHBondContact NE2-O 2.93Å; Q656-S712 VanDerWaalsContact NE2-O 3.08Å; Q656-S712 PolarHBondContact NE2-OG 2.66Å; Q656-S712 PolarHBondContact OE1-OG 3.05Å; S702-S712 WeakPolarHBondContact CB-OG 3.39Å; S702-S712 VanDerWaalsContact OG-CB 3.29Å; S702-S712 WeakPolarHBondContact OG-CB 3.25Å; S702-S712 PolarHBondContact OG-OG 2.64Å; Q708-S712 WeakPolarHBondContact O-CB 3.37Å; Q708-S712 PolarHBondContact O-N 3.36Å; R709-S712 WeakPolarHBondContact O-CB 3.18Å; R709-S712 PolarHBondContact O-N 3.08Å; L710-S712 VanDerWaalsContact C-N 3.33Å; L710-S712 PolarHBondContact O-N 2.68Å; S712-L715 PolarHBondContact O-N 3.27Å; S712-S716 VanDerWaalsContact O-CB 3.31Å; S712-S716 WeakPolarHBondContact O-CB 3.19Å; S712-S716 PolarHBondContact O-N 3.41Å |
| 713 | I | 91.3 | Very high | 87.7 | Confident | 59 Ų | 59 | 26.5 Ų | 26.5 | 30% | 0.303 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.7 | -49.1 | 174.6 | -69.4 | 165.5 | 0 | 0 | 0 | 110.3 | P699 R709 L710 L715 S716 L717 | P699-I713 HydrophobicContact CB-CG1 3.78Å; P699-I713 HydrophobicContact CG-CG1 4.5Å; R709-I713 HydrophobicContact CG-CD1 3.99Å; R709-I713 VanDerWaalsContact O-CG1 3.3Å; R709-I713 WeakPolarHBondContact O-CG1 3.37Å; R709-I713 PolarHBondContact O-N 3.48Å; L710-I713 PolarHBondContact O-N 3.3Å; I713-L715 PolarHBondContact O-N 2.87Å; I713-S716 PolarHBondContact O-N 3.39Å; I713-L717 HydrophobicContact CG2-CD1 3.72Å; I713-L717 HydrophobicContact CG2-CG 4.33Å; I713-L717 WeakPolarHBondContact O-CB 3.32Å; I713-L717 WeakPolarHBondContact O-CG 3.29Å; I713-L717 PolarHBondContact O-N 3.49Å |
| 714 | L | 91 | Very high | 87.7 | Confident | 26 Ų | 26 | 31.6 Ų | 31.6 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.1 | -50.7 | 178.3 | 175.2 | 64.8 | 0 | 0 | 0 | 111.1 | L630 L710 A711 S716 L717 M718 S737 | L630-L714 HydrophobicContact CD2-CD2 3.89Å; L710-L714 WeakPolarHBondContact O-CB 3.25Å; L710-L714 PolarHBondContact O-N 3.12Å; A711-L714 PolarHBondContact O-N 3.47Å; L714-S716 VanDerWaalsContact C-N 3.33Å; L714-S716 PolarHBondContact O-N 2.94Å; L714-L717 PolarHBondContact O-N 3.36Å; L714-M718 HydrophobicContact CD1-CG 3.77Å; L714-M718 HydrophobicContact CD1-SD 4.43Å; L714-M718 HydrophobicContact CG-CG 4.26Å; L714-M718 VanDerWaalsContact O-CB 3.25Å; L714-M718 WeakPolarHBondContact O-CB 3.37Å; L714-M718 WeakPolarHBondContact O-CG 3.47Å; L714-M718 PolarHBondContact O-N 3.28Å; L714-S737 WeakPolarHBondContact CD1-OG 3.25Å |
| 715 | L | 91.3 | Very high | 87.8 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.3 | -38.9 | -176.6 | -169.6 | 62.5 | 0 | 0 | 0 | 112.2 | V627 L653 Q656 M657 T660 A711 S712 I713 S719 | V627-L715 HydrophobicContact CG1-CD1 3.49Å; V627-L715 VanDerWaalsContact CG1-CD1 3.49Å; L653-L715 HydrophobicContact CD1-CD2 3.75Å; Q656-L715 HydrophobicContact CB-CB 4.36Å; Q656-L715 HydrophobicContact CB-CD2 3.41Å; Q656-L715 VanDerWaalsContact CB-CD2 3.41Å; Q656-L715 HydrophobicContact CB-CG 3.74Å; M657-L715 HydrophobicContact CG-CD1 4.49Å; M657-L715 HydrophobicContact CG-CD2 3.71Å; T660-L715 WeakPolarHBondContact OG1-CD1 3.31Å; A711-L715 WeakPolarHBondContact O-CB 3.17Å; A711-L715 PolarHBondContact O-N 3.19Å; S712-L715 PolarHBondContact O-N 3.27Å; I713-L715 PolarHBondContact O-N 2.87Å; L715-S719 PolarHBondContact O-N 2.97Å |
| 716 | S | 91.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.4 | -47.8 | 176.5 | -137.3 | 0 | 0 | 0 | 0 | 112.4 | Q656 S695 P699 S712 I713 L714 M718 S719 | Q656-S716 PolarHBondContact NE2-OG 3.44Å; S695-S716 VanDerWaalsContact C-OG 3.32Å; S695-S716 VanDerWaalsContact CA-OG 3.23Å; S695-S716 WeakPolarHBondContact CA-OG 3.34Å; S695-S716 VanDerWaalsContact CB-O 3.31Å; S695-S716 WeakPolarHBondContact CB-O 3.44Å; S695-S716 VanDerWaalsContact O-CB 3.32Å; S695-S716 WeakPolarHBondContact O-CB 3.36Å; S695-S716 PolarHBondContact O-OG 2.9Å; P699-S716 WeakPolarHBondContact CD-OG 3.26Å; P699-S716 VanDerWaalsContact CG-CB 3.44Å; P699-S716 WeakPolarHBondContact CG-OG 3.4Å; S712-S716 VanDerWaalsContact O-CB 3.31Å; S712-S716 WeakPolarHBondContact O-CB 3.19Å; S712-S716 PolarHBondContact O-N 3.41Å; I713-S716 PolarHBondContact O-N 3.39Å; L714-S716 VanDerWaalsContact C-N 3.33Å; L714-S716 PolarHBondContact O-N 2.94Å; S716-M718 VanDerWaalsContact C-N 3.34Å; S716-S719 PolarHBondContact O-N 2.87Å; S716-S719 PolarHBondContact O-OG 3.46Å |
| 717 | L | 90.8 | Very high | 87.9 | Confident | 90 Ų | 90 | 30.9 Ų | 30.9 | 47% | 0.471 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -72.5 | -30.1 | -179 | -66 | 178 | 0 | 0 | 0 | 111.9 | I713 L714 T720 Y721 | I713-L717 HydrophobicContact CG2-CD1 3.72Å; I713-L717 HydrophobicContact CG2-CG 4.33Å; I713-L717 WeakPolarHBondContact O-CB 3.32Å; I713-L717 WeakPolarHBondContact O-CG 3.29Å; I713-L717 PolarHBondContact O-N 3.49Å; L714-L717 PolarHBondContact O-N 3.36Å; L717-T720 PolarHBondContact O-N 3.04Å; L717-Y721 WeakPolarHBondContact O-CB 3.34Å; L717-Y721 PolarHBondContact O-N 3.17Å |
| 718 | M | 92.5 | Very high | 88.2 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66 | -36.3 | 175.7 | -78.7 | -57.7 | -60.3 | 0 | 0 | 112.6 | V627 L714 S716 T720 Y721 L722 A730 P733 | V627-M718 HydrophobicContact CG1-CB 4.27Å; V627-M718 HydrophobicContact CG1-CG 4.46Å; V627-M718 HydrophobicContact CG2-CB 4.24Å; V627-M718 HydrophobicContact CG2-CE 3.68Å; V627-M718 HydrophobicContact CG2-CG 3.88Å; V627-M718 HydrophobicContact CG2-SD 4.42Å; L714-M718 HydrophobicContact CD1-CG 3.77Å; L714-M718 HydrophobicContact CD1-SD 4.43Å; L714-M718 HydrophobicContact CG-CG 4.26Å; L714-M718 VanDerWaalsContact O-CB 3.25Å; L714-M718 WeakPolarHBondContact O-CB 3.37Å; L714-M718 WeakPolarHBondContact O-CG 3.47Å; L714-M718 PolarHBondContact O-N 3.28Å; S716-M718 VanDerWaalsContact C-N 3.34Å; M718-T720 VanDerWaalsContact C-N 3.31Å; M718-T720 PolarHBondContact O-N 3.44Å; M718-Y721 PolarHBondContact O-N 3.18Å; M718-L722 HydrophobicContact CE-CD2 4.38Å; M718-L722 HydrophobicContact CE-CG 4.34Å; M718-L722 WeakPolarHBondContact O-CB 3.26Å; M718-L722 WeakPolarHBondContact O-CG 3.28Å; M718-L722 PolarHBondContact O-N 3.4Å; M718-A730 WeakPolarHBondContact CE-O 3.36Å; M718-P733 HydrophobicContact SD-CB 3.7Å; M718-P733 HydrophobicContact SD-CG 4.09Å |
| 719 | S | 92 | Very high | 88.4 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 177.8 | 67.7 | 0 | 0 | 0 | 0 | 111.3 | S659 S663 L715 S716 L723 | S659-S719 WeakPolarHBondContact OG-CB 3.31Å; S659-S719 PolarHBondContact OG-OG 3.45Å; S663-S719 VanDerWaalsContact CB-O 3.29Å; S663-S719 WeakPolarHBondContact CB-O 3.26Å; S663-S719 PolarHBondContact OG-O 2.96Å; L715-S719 PolarHBondContact O-N 2.97Å; S716-S719 PolarHBondContact O-N 2.87Å; S716-S719 PolarHBondContact O-OG 3.46Å; S719-L723 WeakPolarHBondContact O-CG 3.49Å |
| 720 | T | 90.9 | Very high | 88.5 | Confident | 18 Ų | 18 | 28.8 Ų | 28.8 | 11% | 0.11 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.6 | -43.8 | 172.9 | -54.8 | 0 | 0 | 0 | 0 | 112.5 | L692 S695 L717 M718 L722 L723 L724 | L692-T720 HydrophobicContact CD1-CG2 3.55Å; S695-T720 WeakPolarHBondContact CB-OG1 3.07Å; S695-T720 PolarHBondContact OG-OG1 3.41Å; S695-T720 VanDerWaalsContact OG-OG1 3.05Å; L717-T720 PolarHBondContact O-N 3.04Å; M718-T720 VanDerWaalsContact C-N 3.31Å; M718-T720 PolarHBondContact O-N 3.44Å; T720-L722 VanDerWaalsContact C-N 3.28Å; T720-L722 PolarHBondContact O-N 2.98Å; T720-L723 WeakPolarHBondContact O-CB 3.41Å; T720-L723 PolarHBondContact O-N 2.95Å; T720-L723 VanDerWaalsContact O-N 3.13Å; T720-L724 HydrophobicContact CG2-CD1 4.48Å; T720-L724 PolarHBondContact O-N 3.02Å |
| 721 | Y | 89.7 | Confident | 88.7 | Confident | 68 Ų | 68 | 28.1 Ų | 28.1 | 27% | 0.267 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.4 | -35.1 | -178.8 | -165.1 | -89.7 | 0 | 0 | 0 | 112.4 | L717 M718 L723 L724 S725 E729 P733 R800 | L717-Y721 WeakPolarHBondContact O-CB 3.34Å; L717-Y721 PolarHBondContact O-N 3.17Å; M718-Y721 PolarHBondContact O-N 3.18Å; Y721-L723 VanDerWaalsContact C-N 3.35Å; Y721-L724 CarbonylContact O-C 3.12Å; Y721-L724 PolarHBondContact O-N 3.23Å; Y721-S725 WeakPolarHBondContact CD1-OG 3.43Å; Y721-S725 WeakPolarHBondContact CE1-OG 3.33Å; Y721-S725 WeakPolarHBondContact O-CB 3.12Å; Y721-S725 PolarHBondContact O-N 3.49Å; Y721-S725 PolarHBondContact O-OG 3.01Å; Y721-E729 WeakPolarHBondContact CE1-O 3.42Å; Y721-P733 HydrophobicContact CD1-CG 3.55Å; Y721-P733 HydrophobicContact CD2-CG 3.78Å; Y721-P733 HydrophobicContact CE1-CG 3.46Å; Y721-P733 VanDerWaalsContact CE1-CG 3.46Å; Y721-P733 HydrophobicContact CE2-CG 3.71Å; Y721-P733 HydrophobicContact CG-CG 3.7Å; Y721-R800 PolarHBondContact OH-NH1 2.92Å |
| 722 | L | 89.3 | Confident | 88.9 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 174.4 | -73.2 | 170.1 | 0 | 0 | 0 | 111.8 | V620 A623 T660 M664 V667 M718 T720 L724 S725 A730 | V620-L722 HydrophobicContact CG1-CD2 3.88Å; A623-L722 HydrophobicContact CB-CD2 4.26Å; T660-L722 HydrophobicContact CG2-CD1 3.88Å; M664-L722 HydrophobicContact CG-CD1 4.25Å; V667-L722 WeakPolarHBondContact CG2-O 3.23Å; M718-L722 HydrophobicContact CE-CD2 4.38Å; M718-L722 HydrophobicContact CE-CG 4.34Å; M718-L722 WeakPolarHBondContact O-CB 3.26Å; M718-L722 WeakPolarHBondContact O-CG 3.28Å; M718-L722 PolarHBondContact O-N 3.4Å; T720-L722 VanDerWaalsContact C-N 3.28Å; T720-L722 PolarHBondContact O-N 2.98Å; L722-L724 PolarHBondContact O-N 3.19Å; L722-S725 PolarHBondContact O-N 2.83Å; L722-A730 HydrophobicContact CD2-CB 4.12Å |
| 723 | L | 87.9 | Confident | 88.8 | Confident | 40 Ų | 40 | 28.3 Ų | 28.3 | 21% | 0.209 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.8 | -29.9 | 175.2 | -66 | 172.1 | 0 | 0 | 0 | 112.3 | V666 V667 T691 S719 T720 Y721 | V666-L723 HydrophobicContact CB-CD2 3.96Å; V666-L723 HydrophobicContact CG1-CD2 3.73Å; V667-L723 HydrophobicContact CG2-CD2 4.18Å; T691-L723 HydrophobicContact CG2-CD1 3.8Å; S719-L723 WeakPolarHBondContact O-CG 3.49Å; T720-L723 WeakPolarHBondContact O-CB 3.41Å; T720-L723 PolarHBondContact O-N 2.95Å; T720-L723 VanDerWaalsContact O-N 3.13Å; Y721-L723 VanDerWaalsContact C-N 3.35Å |
| 724 | L | 84.8 | Confident | 88.9 | Confident | 121 Ų | 121 | 26.2 Ų | 26.2 | 63% | 0.634 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 0.3 | 178.4 | -59.8 | 175.2 | 0 | 0 | 0 | 113.5 | T720 Y721 L722 | T720-L724 HydrophobicContact CG2-CD1 4.48Å; T720-L724 PolarHBondContact O-N 3.02Å; Y721-L724 CarbonylContact O-C 3.12Å; Y721-L724 PolarHBondContact O-N 3.23Å; L722-L724 PolarHBondContact O-N 3.19Å |
| 725 | S | 83.9 | Confident | 89 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 3% | 0.028 | 13% | 0.134 | C | C | . | . | trans | -104.3 | 142.8 | -173.2 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | Y721 L722 | Y721-S725 WeakPolarHBondContact CD1-OG 3.43Å; Y721-S725 WeakPolarHBondContact CE1-OG 3.33Å; Y721-S725 WeakPolarHBondContact O-CB 3.12Å; Y721-S725 PolarHBondContact O-N 3.49Å; Y721-S725 PolarHBondContact O-OG 3.01Å; L722-S725 PolarHBondContact O-N 2.83Å | ||
| 726 | T | 78.9 | Confident | 89 | Confident | 48 Ų | 48 | 26.3 Ų | 26.3 | 29% | 0.294 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -123.2 | -13.9 | 180 | 63.6 | 0 | 0 | 0 | 0 | 113.6 | W268 P615 N616 E729 | W268-T726 HydrophobicContact CZ2-CG2 4.39Å; P615-T726 CarbonylContact C-O 3.58Å; P615-T726 WeakPolarHBondContact CA-O 3.35Å; N616-T726 CarbonylContact C-O 3.43Å; N616-T726 PolarHBondContact N-O 2.9Å; T726-E729 WeakPolarHBondContact CA-OE1 3.41Å; T726-E729 PolarHBondContact N-OE1 3.22Å; T726-E729 PolarHBondContact OG1-OE1 3.05Å |
| 727 | G | 85.3 | Confident | 89 | Confident | 4 Ų | 4 | 28 Ų | 28 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -160.1 | -137.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | E729 A730 | G727-E729 VanDerWaalsContact CA-OE2 3.25Å; G727-E729 WeakPolarHBondContact CA-OE2 3.39Å; G727-E729 VanDerWaalsContact N-CD 3.27Å; G727-E729 PolarHBondContact N-OE1 2.89Å; G727-E729 PolarHBondContact N-OE2 3.43Å; G727-E729 PolarHBondContact O-N 3.18Å; G727-E729 VanDerWaalsContact O-N 3.14Å; G727-A730 PolarHBondContact O-N 3.44Å |
| 728 | Y | 86.4 | Confident | 89.1 | Confident | 23 Ų | 23 | 24.8 Ų | 24.8 | 9% | 0.09 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -64.3 | -17.8 | -173.7 | 73.5 | -96.7 | 0 | 0 | 0 | 113.2 | F605 M608 P609 V611 A730 L731 R800 | F605-Y728 AromaticContact CD1-CD2 3.84Å; F605-Y728 HydrophobicContact CD1-CD2 3.84Å; F605-Y728 HydrophobicContact CD1-CE2 4.03Å; F605-Y728 HydrophobicContact CE1-CD2 4.01Å; M608-Y728 HydrophobicContact CB-CD2 4.19Å; M608-Y728 HydrophobicContact CB-CE1 4.04Å; M608-Y728 HydrophobicContact CB-CE2 3.58Å; M608-Y728 HydrophobicContact CE-CD1 3.95Å; M608-Y728 HydrophobicContact CE-CD2 4.18Å; M608-Y728 HydrophobicContact CE-CE1 4.44Å; M608-Y728 HydrophobicContact CE-CG 3.83Å; M608-Y728 HydrophobicContact CG-CD2 4.16Å; M608-Y728 HydrophobicContact CG-CE2 3.99Å; P609-Y728 WeakPolarHBondContact O-CE1 3.42Å; P609-Y728 VanDerWaalsContact O-CZ 3.26Å; P609-Y728 PolarHBondContact O-OH 3.4Å; V611-Y728 HydrophobicContact CG2-CE1 4.05Å; V611-Y728 HydrophobicContact CG2-CE2 4.45Å; Y728-A730 PolarHBondContact O-N 3.02Å; Y728-L731 PolarHBondContact O-N 3.28Å; Y728-R800 PolarHBondContact O-NH2 3.33Å |
| 729 | E | 85.9 | Confident | 89.1 | Confident | 13 Ų | 13 | 24.8 Ų | 24.8 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -57.9 | -33 | -179.8 | 64.2 | -79.5 | -169.9 | 0 | 0 | 112.3 | V611 Y721 T726 G727 L731 F732 R800 | V611-E729 HydrophobicContact CG1-CG 4.18Å; V611-E729 VanDerWaalsContact CG1-OE1 3.26Å; V611-E729 WeakPolarHBondContact CG1-OE1 3.25Å; V611-E729 WeakPolarHBondContact CG1-OE2 3.43Å; V611-E729 HydrophobicContact CG2-CB 3.78Å; V611-E729 HydrophobicContact CG2-CG 4.11Å; Y721-E729 WeakPolarHBondContact CE1-O 3.42Å; T726-E729 WeakPolarHBondContact CA-OE1 3.41Å; T726-E729 PolarHBondContact N-OE1 3.22Å; T726-E729 PolarHBondContact OG1-OE1 3.05Å; G727-E729 VanDerWaalsContact CA-OE2 3.25Å; G727-E729 WeakPolarHBondContact CA-OE2 3.39Å; G727-E729 VanDerWaalsContact N-CD 3.27Å; G727-E729 PolarHBondContact N-OE1 2.89Å; G727-E729 PolarHBondContact N-OE2 3.43Å; G727-E729 PolarHBondContact O-N 3.18Å; G727-E729 VanDerWaalsContact O-N 3.14Å; E729-L731 PolarHBondContact O-N 3.31Å; E729-L731 VanDerWaalsContact O-N 3.1Å; E729-F732 WeakPolarHBondContact O-CA 3.46Å; E729-F732 PolarHBondContact O-N 2.95Å; E729-R800 PolarHBondContact O-NH1 3.45Å; E729-R800 PolarHBondContact O-NH2 2.92Å |
| 730 | A | 90 | Very high | 89 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -55.2 | -28.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | V620 A623 M718 L722 G727 Y728 | V620-A730 HydrophobicContact CB-CB 4.45Å; V620-A730 HydrophobicContact CG1-CB 4.39Å; V620-A730 HydrophobicContact CG2-CB 4.35Å; A623-A730 HydrophobicContact CB-CB 3.52Å; M718-A730 WeakPolarHBondContact CE-O 3.36Å; L722-A730 HydrophobicContact CD2-CB 4.12Å; G727-A730 PolarHBondContact O-N 3.44Å; Y728-A730 PolarHBondContact O-N 3.02Å |
| 731 | L | 91.8 | Very high | 89 | Confident | 40 Ų | 40 | 31.3 Ų | 31.3 | 21% | 0.209 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -78.6 | -20.6 | 179.2 | -64.4 | 168.5 | 0 | 0 | 0 | 113.4 | F605 L619 A623 L626 Y728 E729 V735 | F605-L731 HydrophobicContact CE1-CB 4.32Å; F605-L731 HydrophobicContact CZ-CB 3.97Å; L619-L731 HydrophobicContact CD2-CD1 4.43Å; A623-L731 HydrophobicContact CB-CD2 3.63Å; A623-L731 HydrophobicContact CB-CG 4.1Å; L626-L731 HydrophobicContact CD1-CD2 3.77Å; Y728-L731 PolarHBondContact O-N 3.28Å; E729-L731 PolarHBondContact O-N 3.31Å; E729-L731 VanDerWaalsContact O-N 3.1Å; L731-V735 WeakPolarHBondContact O-CG2 3.39Å; L731-V735 PolarHBondContact O-N 3.4Å |
| 732 | F | 90.1 | Very high | 89 | Confident | 7 Ų | 7 | 28.5 Ų | 28.5 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -35.3 | -82 | 167.2 | 155.8 | 7.1 | 0 | 0 | 0 | 116.3 | L602 F605 E729 L734 V735 L736 P796 V797 R800 | L602-F732 HydrophobicContact CD1-CD2 3.35Å; L602-F732 HydrophobicContact CD1-CE2 3.5Å; L602-F732 VanDerWaalsContact CD1-CE2 3.5Å; L602-F732 HydrophobicContact CD1-CG 4.14Å; L602-F732 HydrophobicContact CD1-CZ 4.39Å; L602-F732 HydrophobicContact CG-CE2 4.41Å; F605-F732 HydrophobicContact CB-CD2 4.05Å; F605-F732 HydrophobicContact CD1-CB 4.2Å; F605-F732 HydrophobicContact CD2-CB 3.73Å; F605-F732 AromaticContact CD2-CD2 3.65Å; F605-F732 HydrophobicContact CD2-CD2 3.65Å; F605-F732 HydrophobicContact CD2-CG 4.24Å; F605-F732 HydrophobicContact CE1-CB 3.94Å; F605-F732 HydrophobicContact CE2-CB 3.43Å; F605-F732 VanDerWaalsContact CE2-CB 3.43Å; F605-F732 HydrophobicContact CE2-CD2 4.21Å; F605-F732 HydrophobicContact CE2-CG 4.39Å; F605-F732 HydrophobicContact CG-CB 4.08Å; F605-F732 AromaticContact CG-CD2 3.84Å; F605-F732 HydrophobicContact CG-CD2 3.84Å; F605-F732 HydrophobicContact CG-CG 4.44Å; F605-F732 HydrophobicContact CZ-CB 3.53Å; E729-F732 WeakPolarHBondContact O-CA 3.46Å; E729-F732 PolarHBondContact O-N 2.95Å; F732-L734 PolarHBondContact O-N 3.29Å; F732-V735 PolarHBondContact O-N 2.91Å; F732-L736 HydrophobicContact CE1-CD2 4.04Å; F732-L736 HydrophobicContact CZ-CD2 4.3Å; F732-L736 PolarHBondContact O-N 3.36Å; F732-P796 HydrophobicContact CE2-CB 3.93Å; F732-P796 HydrophobicContact CZ-CB 4.13Å; F732-P796 WeakPolarHBondContact CZ-O 3.41Å; F732-V797 HydrophobicContact CE1-CG2 4.11Å; F732-V797 HydrophobicContact CZ-CB 4.42Å; F732-V797 HydrophobicContact CZ-CG2 3.98Å; F732-R800 VanDerWaalsContact CA-NH1 3.34Å; F732-R800 VanDerWaalsContact CA-NH2 3.32Å; F732-R800 VanDerWaalsContact CE2-CD 3.43Å; F732-R800 VanDerWaalsContact CG-NE 3.26Å |
| 733 | P | 90.1 | Very high | 89.1 | Confident | 25 Ų | 25 | 29.9 Ų | 29.9 | 16% | 0.162 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.8 | -27.3 | -166.7 | -18.8 | 30 | 0 | 0 | 0 | 111.4 | M718 Y721 S737 | M718-P733 HydrophobicContact SD-CB 3.7Å; M718-P733 HydrophobicContact SD-CG 4.09Å; Y721-P733 HydrophobicContact CD1-CG 3.55Å; Y721-P733 HydrophobicContact CD2-CG 3.78Å; Y721-P733 HydrophobicContact CE1-CG 3.46Å; Y721-P733 VanDerWaalsContact CE1-CG 3.46Å; Y721-P733 HydrophobicContact CE2-CG 3.71Å; Y721-P733 HydrophobicContact CG-CG 3.7Å; P733-S737 WeakPolarHBondContact O-CB 3.33Å; P733-S737 PolarHBondContact O-N 3.22Å; P733-S737 PolarHBondContact O-OG 3.05Å |
| 734 | L | 91.9 | Very high | 89.1 | Confident | 15 Ų | 15 | 30.7 Ų | 30.7 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62 | -55.2 | 171.4 | -179.7 | 63.5 | 0 | 0 | 0 | 112.3 | L626 V627 L630 F732 L736 S737 C738 | L626-L734 HydrophobicContact CB-CD2 3.67Å; L626-L734 HydrophobicContact CD1-CD2 4.26Å; V627-L734 HydrophobicContact CG2-CD1 4.12Å; V627-L734 HydrophobicContact CG2-CD2 4.42Å; L630-L734 HydrophobicContact CD2-CD1 3.79Å; F732-L734 PolarHBondContact O-N 3.29Å; L734-L736 VanDerWaalsContact C-N 3.34Å; L734-L736 PolarHBondContact O-N 3.49Å; L734-S737 PolarHBondContact O-N 3.08Å; L734-C738 PolarHBondContact O-N 3.47Å; L734-C738 PolarHBondContact O-SG 3.49Å; L734-C738 VanDerWaalsContact O-SG 3.34Å |
| 735 | V | 93.5 | Very high | 89.2 | Confident | 11 Ų | 11 | 27.8 Ų | 27.8 | 7% | 0.067 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.5 | -43.7 | 179.4 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | F598 L601 L602 F605 L731 F732 S737 C738 L739 | F598-V735 HydrophobicContact CD1-CG1 4.42Å; L601-V735 HydrophobicContact CB-CG1 4.12Å; L601-V735 HydrophobicContact CD2-CB 4.45Å; L601-V735 HydrophobicContact CD2-CG1 3.97Å; L601-V735 HydrophobicContact CD2-CG2 3.57Å; L601-V735 HydrophobicContact CG-CG1 3.91Å; L601-V735 HydrophobicContact CG-CG2 3.97Å; L602-V735 HydrophobicContact CB-CG1 4.2Å; L602-V735 HydrophobicContact CD1-CG1 4.15Å; F605-V735 HydrophobicContact CE2-CB 4.15Å; F605-V735 HydrophobicContact CE2-CG1 4.29Å; F605-V735 HydrophobicContact CE2-CG2 4.11Å; F605-V735 HydrophobicContact CZ-CG2 4.34Å; L731-V735 WeakPolarHBondContact O-CG2 3.39Å; L731-V735 PolarHBondContact O-N 3.4Å; F732-V735 PolarHBondContact O-N 2.91Å; V735-S737 PolarHBondContact O-N 3.29Å; V735-C738 PolarHBondContact O-N 2.93Å; V735-L739 PolarHBondContact O-N 2.86Å |
| 736 | L | 92.1 | Very high | 89.3 | Confident | 20 Ų | 20 | 27.8 Ų | 27.8 | 11% | 0.105 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 177.6 | 179.8 | 62.2 | 0 | 0 | 0 | 111.4 | L602 F732 L734 L739 M740 L793 V797 | L602-L736 HydrophobicContact CD1-CB 4.34Å; L602-L736 HydrophobicContact CD2-CD1 4.06Å; F732-L736 HydrophobicContact CE1-CD2 4.04Å; F732-L736 HydrophobicContact CZ-CD2 4.3Å; F732-L736 PolarHBondContact O-N 3.36Å; L734-L736 VanDerWaalsContact C-N 3.34Å; L734-L736 PolarHBondContact O-N 3.49Å; L736-L739 WeakPolarHBondContact O-CB 3.47Å; L736-L739 PolarHBondContact O-N 3.28Å; L736-M740 HydrophobicContact CD1-CG 4.4Å; L736-M740 HydrophobicContact CG-SD 4.24Å; L736-M740 WeakPolarHBondContact O-CG 3.47Å; L736-M740 PolarHBondContact O-N 3.1Å; L736-L793 HydrophobicContact CD1-CD2 4.37Å; L736-V797 HydrophobicContact CD2-CG2 3.53Å |
| 737 | S | 91.3 | Very high | 89.7 | Confident | 38 Ų | 38 | 26.3 Ų | 26.3 | 27% | 0.266 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -66.2 | -39.4 | -180 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | L714 P733 L734 V735 M740 F741 | L714-S737 WeakPolarHBondContact CD1-OG 3.25Å; P733-S737 WeakPolarHBondContact O-CB 3.33Å; P733-S737 PolarHBondContact O-N 3.22Å; P733-S737 PolarHBondContact O-OG 3.05Å; L734-S737 PolarHBondContact O-N 3.08Å; V735-S737 PolarHBondContact O-N 3.29Å; S737-M740 PolarHBondContact O-N 3.37Å; S737-F741 WeakPolarHBondContact O-CB 3.3Å; S737-F741 PolarHBondContact O-N 2.86Å |
| 738 | C | 92.1 | Very high | 89.5 | Confident | 24 Ų | 24 | 28.8 Ų | 28.8 | 16% | 0.162 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 171.3 | -72.3 | 0 | 0 | 0 | 0 | 111.5 | F598 L734 V735 F741 V742 | F598-C738 HydrophobicContact CD1-CB 3.76Å; F598-C738 HydrophobicContact CD2-CB 4.24Å; F598-C738 HydrophobicContact CE1-CB 3.51Å; F598-C738 HydrophobicContact CE2-CB 4.02Å; F598-C738 HydrophobicContact CG-CB 4.14Å; F598-C738 HydrophobicContact CZ-CB 3.66Å; L734-C738 PolarHBondContact O-N 3.47Å; L734-C738 PolarHBondContact O-SG 3.49Å; L734-C738 VanDerWaalsContact O-SG 3.34Å; V735-C738 PolarHBondContact O-N 2.93Å; C738-F741 PolarHBondContact O-N 3.24Å; C738-V742 WeakPolarHBondContact O-CG2 3.49Å; C738-V742 PolarHBondContact O-N 2.86Å |
| 739 | L | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 176.6 | -178.1 | 56.8 | 0 | 0 | 0 | 111.9 | F575 W595 F598 S599 L602 V735 L736 F741 V742 W743 L793 | F575-L739 HydrophobicContact CE1-CD2 4.35Å; W595-L739 HydrophobicContact CD2-CD1 4.35Å; W595-L739 HydrophobicContact CE3-CD1 3.82Å; W595-L739 HydrophobicContact CZ3-CD1 4.09Å; F598-L739 HydrophobicContact CB-CB 3.98Å; F598-L739 HydrophobicContact CB-CD1 3.99Å; S599-L739 WeakPolarHBondContact OG-CD1 3.21Å; L602-L739 HydrophobicContact CB-CD2 4.4Å; L602-L739 HydrophobicContact CD2-CD2 3.64Å; V735-L739 PolarHBondContact O-N 2.86Å; L736-L739 WeakPolarHBondContact O-CB 3.47Å; L736-L739 PolarHBondContact O-N 3.28Å; L739-F741 VanDerWaalsContact C-N 3.33Å; L739-F741 PolarHBondContact O-N 2.95Å; L739-V742 PolarHBondContact O-N 3.18Å; L739-W743 WeakPolarHBondContact O-CB 3.35Å; L739-W743 PolarHBondContact O-N 3.44Å; L739-L793 HydrophobicContact CD2-CD2 3.52Å; L739-L793 HydrophobicContact CG-CD2 4.27Å |
| 740 | M | 90.8 | Very high | 88.8 | Confident | 82 Ų | 82 | 31.1 Ų | 31.1 | 40% | 0.404 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.9 | -38.5 | 176.7 | -71.1 | -178.9 | 74.1 | 0 | 0 | 112 | L736 S737 W743 I744 | L736-M740 HydrophobicContact CD1-CG 4.4Å; L736-M740 HydrophobicContact CG-SD 4.24Å; L736-M740 WeakPolarHBondContact O-CG 3.47Å; L736-M740 PolarHBondContact O-N 3.1Å; S737-M740 PolarHBondContact O-N 3.37Å; M740-W743 WeakPolarHBondContact O-CB 3.18Å; M740-W743 PolarHBondContact O-N 3.49Å; M740-I744 WeakPolarHBondContact O-CG1 3.43Å; M740-I744 PolarHBondContact O-N 3.22Å |
| 741 | F | 89.2 | Confident | 88 | Confident | 75 Ų | 75 | 35.8 Ų | 35.8 | 33% | 0.329 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -66.5 | -42.1 | 175.2 | -174.5 | -104.5 | 0 | 0 | 0 | 112.1 | L710 S737 C738 L739 W743 I744 Q745 L762 | L710-F741 HydrophobicContact CD1-CD2 4.5Å; S737-F741 WeakPolarHBondContact O-CB 3.3Å; S737-F741 PolarHBondContact O-N 2.86Å; C738-F741 PolarHBondContact O-N 3.24Å; L739-F741 VanDerWaalsContact C-N 3.33Å; L739-F741 PolarHBondContact O-N 2.95Å; F741-W743 VanDerWaalsContact C-N 3.29Å; F741-W743 PolarHBondContact O-N 3.43Å; F741-I744 PolarHBondContact O-N 3.05Å; F741-Q745 PolarHBondContact O-N 3.47Å; F741-L762 HydrophobicContact CE2-CD2 3.9Å; F741-L762 HydrophobicContact CZ-CD2 4.27Å |
| 742 | V | 90.8 | Very high | 86.6 | Confident | 8 Ų | 8 | 37.8 Ų | 37.8 | 5% | 0.048 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -37.2 | 173.1 | 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 4.42Å; F598-V742 HydrophobicContact CD2-CG2 4Å; F598-V742 HydrophobicContact CE2-CG2 4.25Å; C738-V742 WeakPolarHBondContact O-CG2 3.49Å; C738-V742 PolarHBondContact O-N 2.86Å; L739-V742 PolarHBondContact O-N 3.18Å; V742-I744 VanDerWaalsContact C-N 3.32Å; V742-I744 PolarHBondContact O-N 3.25Å; V742-Q745 WeakPolarHBondContact O-CA 3.29Å; V742-Q745 WeakPolarHBondContact O-CB 3.35Å; V742-Q745 PolarHBondContact O-N 2.84Å; V742-V746 HydrophobicContact CG1-CG2 4.09Å; V742-V746 WeakPolarHBondContact O-CG2 3.32Å; V742-V746 PolarHBondContact O-N 2.91Å |
| 743 | W | 91.1 | Very high | 84.7 | Confident | 30 Ų | 30 | 44.9 Ų | 44.9 | 11% | 0.114 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.4 | -45.2 | 176.1 | -173.1 | 18.2 | 0 | 0 | 0 | 111.6 | W595 L739 M740 F741 Q745 V746 E747 R786 F789 L790 L793 | W595-W743 HydrophobicContact CH2-CG 4.34Å; W595-W743 HydrophobicContact CZ3-CB 3.74Å; W595-W743 AromaticContact CZ3-CD1 3.78Å; W595-W743 AromaticContact CZ3-CG 3.84Å; W595-W743 HydrophobicContact CZ3-CG 3.84Å; L739-W743 WeakPolarHBondContact O-CB 3.35Å; L739-W743 PolarHBondContact O-N 3.44Å; M740-W743 WeakPolarHBondContact O-CB 3.18Å; M740-W743 PolarHBondContact O-N 3.49Å; F741-W743 VanDerWaalsContact C-N 3.29Å; F741-W743 PolarHBondContact O-N 3.43Å; W743-Q745 VanDerWaalsContact C-N 3.26Å; W743-Q745 PolarHBondContact O-N 2.97Å; W743-V746 PolarHBondContact O-N 2.84Å; W743-E747 PolarHBondContact NE1-OE1 3Å; W743-E747 WeakPolarHBondContact O-CG 3.31Å; W743-E747 PolarHBondContact O-N 2.79Å; W743-R786 HydrophobicContact CZ2-CB 4.21Å; W743-R786 HydrophobicContact CZ2-CG 4.36Å; W743-F789 HydrophobicContact CH2-CB 4.07Å; W743-F789 HydrophobicContact CZ2-CB 3.66Å; W743-F789 HydrophobicContact CZ2-CD2 4.4Å; W743-F789 AromaticContact NE1-CD2 3.92Å; W743-L790 HydrophobicContact CH2-CB 3.99Å; W743-L790 HydrophobicContact CH2-CD1 4.5Å; W743-L790 HydrophobicContact CZ3-CB 4.46Å; W743-L790 HydrophobicContact CZ3-CD1 4.22Å; W743-L793 HydrophobicContact CD2-CD1 4.3Å; W743-L793 HydrophobicContact CE3-CD1 3.59Å; W743-L793 HydrophobicContact CZ3-CD1 3.79Å |
| 744 | I | 88.5 | Confident | 82.3 | Confident | 56 Ų | 56 | 49.4 Ų | 49.4 | 29% | 0.287 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.1 | -42.5 | 175.2 | -61.5 | 168.8 | 0 | 0 | 0 | 110.7 | L710 M740 F741 V742 E747 Q748 L762 | L710-I744 HydrophobicContact CD1-CD1 3.85Å; M740-I744 WeakPolarHBondContact O-CG1 3.43Å; M740-I744 PolarHBondContact O-N 3.22Å; F741-I744 PolarHBondContact O-N 3.05Å; V742-I744 VanDerWaalsContact C-N 3.32Å; V742-I744 PolarHBondContact O-N 3.25Å; I744-E747 PolarHBondContact O-N 3.05Å; I744-Q748 WeakPolarHBondContact O-CG 3.42Å; I744-Q748 PolarHBondContact O-N 3.46Å; I744-L762 HydrophobicContact CG2-CD1 3.72Å; I744-L762 HydrophobicContact CG2-CG 4.49Å |
| 745 | Q | 86.1 | Confident | 80.1 | Confident | 60 Ų | 60 | 52.5 Ų | 52.5 | 28% | 0.28 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.9 | -42.6 | 178 | -62.3 | 179.3 | -1 | 0 | 0 | 112.3 | T591 F741 V742 W743 E747 Q748 E749 L762 | T591-Q745 HydrophobicContact CG2-CB 3.89Å; F741-Q745 PolarHBondContact O-N 3.47Å; V742-Q745 WeakPolarHBondContact O-CA 3.29Å; V742-Q745 WeakPolarHBondContact O-CB 3.35Å; V742-Q745 PolarHBondContact O-N 2.84Å; W743-Q745 VanDerWaalsContact C-N 3.26Å; W743-Q745 PolarHBondContact O-N 2.97Å; Q745-E747 VanDerWaalsContact C-N 3.32Å; Q745-E747 PolarHBondContact O-N 3.08Å; Q745-Q748 PolarHBondContact O-N 3.5Å; Q745-E749 WeakPolarHBondContact O-CG 3.35Å; Q745-E749 PolarHBondContact O-N 2.97Å; Q745-L762 HydrophobicContact CG-CD1 4.43Å |
| 746 | V | 87 | Confident | 77.7 | Confident | 4 Ų | 4 | 58 Ų | 58 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.2 | -44 | 175.3 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | L584 T591 W595 V742 W743 Q748 E749 T750 | L584-V746 HydrophobicContact CD1-CG1 3.81Å; T591-V746 HydrophobicContact CG2-CG2 3.66Å; W595-V746 HydrophobicContact CB-CG2 4.19Å; W595-V746 HydrophobicContact CD2-CG2 4.45Å; W595-V746 HydrophobicContact CE3-CG2 4.09Å; V742-V746 HydrophobicContact CG1-CG2 4.09Å; V742-V746 WeakPolarHBondContact O-CG2 3.32Å; V742-V746 PolarHBondContact O-N 2.91Å; W743-V746 PolarHBondContact O-N 2.84Å; V746-Q748 VanDerWaalsContact C-N 3.34Å; V746-Q748 PolarHBondContact O-N 3.41Å; V746-E749 PolarHBondContact O-N 3.39Å; V746-T750 WeakPolarHBondContact O-CG2 3.37Å; V746-T750 PolarHBondContact O-N 3.01Å; V746-T750 PolarHBondContact O-OG1 2.87Å |
| 747 | E | 85.9 | Confident | 75.1 | Confident | 17 Ų | 17 | 63 Ų | 63 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.2 | -35.7 | 176.8 | -67.1 | -60.2 | 154.4 | 0 | 0 | 112.3 | W743 I744 Q745 T750 L751 R785 R786 | W743-E747 PolarHBondContact NE1-OE1 3Å; W743-E747 WeakPolarHBondContact O-CG 3.31Å; W743-E747 PolarHBondContact O-N 2.79Å; I744-E747 PolarHBondContact O-N 3.05Å; Q745-E747 VanDerWaalsContact C-N 3.32Å; Q745-E747 PolarHBondContact O-N 3.08Å; E747-T750 VanDerWaalsContact CA-OG1 3.26Å; E747-T750 WeakPolarHBondContact CA-OG1 3.48Å; E747-T750 PolarHBondContact O-OG1 3.48Å; E747-L751 WeakPolarHBondContact O-CD1 3.47Å; E747-L751 VanDerWaalsContact O-CG 3.23Å; E747-L751 WeakPolarHBondContact O-CG 3.38Å; E747-L751 PolarHBondContact O-N 3.39Å; E747-L751 VanDerWaalsContact O-N 3.16Å; E747-R785 IonicContact OE1-CZ 3.27Å; E747-R785 IonicContact OE1-NH1 2.7Å; E747-R785 PolarHBondContact OE1-NH1 3.03Å; E747-R785 IonicContact OE1-NH2 3.12Å; E747-R785 PolarHBondContact OE1-NH2 2.95Å; E747-R785 IonicContact OE2-CZ 3.36Å; E747-R785 IonicContact OE2-NH1 2.75Å; E747-R785 IonicContact OE2-NH2 2.79Å; E747-R785 PolarHBondContact OE2-NH2 2.83Å; E747-R786 IonicContact OE2-CZ 3.13Å; E747-R786 VanDerWaalsContact OE2-CZ 3.23Å; E747-R786 IonicContact OE2-NE 2.81Å; E747-R786 PolarHBondContact OE2-NE 3.49Å; E747-R786 IonicContact OE2-NH2 3.63Å; E747-R786 PolarHBondContact OE2-NH2 3.06Å |
| 748 | Q | 81.3 | Confident | 72.8 | Confident | 56 Ų | 56 | 66.1 Ų | 66.1 | 26% | 0.262 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 174.1 | -74.3 | -168 | -12.2 | 0 | 0 | 113 | I744 Q745 V746 L762 | I744-Q748 WeakPolarHBondContact O-CG 3.42Å; I744-Q748 PolarHBondContact O-N 3.46Å; Q745-Q748 PolarHBondContact O-N 3.5Å; V746-Q748 VanDerWaalsContact C-N 3.34Å; V746-Q748 PolarHBondContact O-N 3.41Å; Q748-L762 HydrophobicContact CG-CD1 4.41Å; Q748-L762 VanDerWaalsContact NE2-CD1 3.28Å |
| 749 | E | 81.6 | Confident | 70.7 | Confident | 40 Ų | 40 | 72.3 Ų | 72.3 | 19% | 0.187 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -73.1 | -29.1 | 178.7 | -65.5 | -64.4 | 158.6 | 0 | 0 | 112 | L584 A588 Q745 V746 Q752 K759 | L584-E749 HydrophobicContact CD2-CB 3.77Å; A588-E749 HydrophobicContact CB-CB 4.46Å; A588-E749 HydrophobicContact CB-CG 4.19Å; Q745-E749 WeakPolarHBondContact O-CG 3.35Å; Q745-E749 PolarHBondContact O-N 2.97Å; V746-E749 PolarHBondContact O-N 3.39Å; E749-Q752 VanDerWaalsContact CD-NE2 3.32Å; E749-Q752 PolarHBondContact OE2-NE2 3.06Å; E749-Q752 PolarHBondContact OE2-OE1 3.39Å; E749-K759 IonicContact OE1-NZ 3.53Å |
| 750 | T | 76.7 | Confident | 68.9 | Low | 45 Ų | 45 | 78 Ų | 78 | 28% | 0.276 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -73.9 | -31.4 | 173.7 | 45.4 | 0 | 0 | 0 | 0 | 113.5 | L584 V746 E747 Q752 | L584-T750 HydrophobicContact CD1-CG2 3.42Å; L584-T750 VanDerWaalsContact CD1-CG2 3.42Å; L584-T750 HydrophobicContact CD2-CG2 3.85Å; L584-T750 HydrophobicContact CG-CG2 3.84Å; V746-T750 WeakPolarHBondContact O-CG2 3.37Å; V746-T750 PolarHBondContact O-N 3.01Å; V746-T750 PolarHBondContact O-OG1 2.87Å; E747-T750 VanDerWaalsContact CA-OG1 3.26Å; E747-T750 WeakPolarHBondContact CA-OG1 3.48Å; E747-T750 PolarHBondContact O-OG1 3.48Å; T750-Q752 PolarHBondContact O-N 3.41Å |
| 751 | L | 72.4 | Confident | 67.5 | Low | 98 Ų | 98 | 81.1 Ų | 81.1 | 51% | 0.513 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -9.6 | 175.7 | -72.6 | 168.4 | 0 | 0 | 0 | 113.6 | E747 Q753 | E747-L751 WeakPolarHBondContact O-CD1 3.47Å; E747-L751 VanDerWaalsContact O-CG 3.23Å; E747-L751 WeakPolarHBondContact O-CG 3.38Å; E747-L751 PolarHBondContact O-N 3.39Å; E747-L751 VanDerWaalsContact O-N 3.16Å; L751-Q753 PolarHBondContact O-N 2.83Å |
| 752 | Q | 62.2 | Low | 66.1 | Low | 82 Ų | 82 | 78.6 Ų | 78.6 | 38% | 0.383 | 43% | 0.434 | S | S | . | . | trans | -74 | 87.6 | 176.3 | -67.4 | 179.8 | 25.3 | 0 | 0 | 111.4 | R587 E749 T750 | R587-Q752 PolarHBondContact NH1-O 3.45Å; E749-Q752 VanDerWaalsContact CD-NE2 3.32Å; E749-Q752 PolarHBondContact OE2-NE2 3.06Å; E749-Q752 PolarHBondContact OE2-OE1 3.39Å; T750-Q752 PolarHBondContact O-N 3.41Å | ||
| 753 | Q | 50.7 | Low | 64.6 | Low | 156 Ų | 156 | 80.3 Ų | 80.3 | 73% | 0.729 | 44% | 0.444 | S | S | * | . | trans | -77.6 | 149.3 | 163.2 | -68.8 | -141.3 | -1.8 | 0 | 0 | 111.2 | L751 G755 | L751-Q753 PolarHBondContact O-N 2.83Å; Q753-G755 PolarHBondContact O-N 3.22Å | ||
| 754 | P | 40.8 | Very low | 63.2 | Low | 121 Ų | 121 | 82 Ų | 82 | 79% | 0.786 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 110.6 | 176 | 1.7 | 11.8 | 0 | 0 | 0 | 109 | ||
| 755 | G | 44.9 | Very low | 62.4 | Low | 79 Ų | 79 | 81.8 Ų | 81.8 | 81% | 0.814 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 131 | -12.1 | 173 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q753 | Q753-G755 PolarHBondContact O-N 3.22Š|
| 756 | V | 43.8 | Very low | 61.7 | Low | 126 Ų | 126 | 84.2 Ų | 84.2 | 76% | 0.764 | 47% | 0.471 | S | S | * | . | trans | -108 | 98.8 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | C758 | V756-C758 VanDerWaalsContact C-N 3.34Å; V756-C758 PolarHBondContact O-N 2.77Å | ||
| 757 | S | 37.6 | Very low | 60.8 | Low | 127 Ų | 127 | 89.5 Ų | 89.5 | 89% | 0.888 | 49% | 0.494 | S | S | * | . | trans | -86.7 | 55 | -176.4 | 177.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 758 | C | 42.8 | Very low | 59.7 | Low | 103 Ų | 103 | 92.6 Ų | 92.6 | 70% | 0.696 | 51% | 0.514 | S | S | * | . | trans | -130.1 | 86.7 | 167.2 | -159.8 | 0 | 0 | 0 | 0 | 111 | V756 Q760 | V756-C758 VanDerWaalsContact C-N 3.34Å; V756-C758 PolarHBondContact O-N 2.77Å; C758-Q760 PolarHBondContact O-N 2.84Å | ||
| 759 | K | 48.2 | Very low | 58.2 | Low | 154 Ų | 154 | 94.5 Ų | 94.5 | 67% | 0.67 | 53% | 0.533 | S | S | * | . | trans | -71.8 | 82.6 | 165.2 | -162.4 | 169.3 | -168.3 | 159.7 | 0 | 107.5 | E749 K761 | E749-K759 IonicContact OE1-NZ 3.53Å; K759-K761 PolarHBondContact O-N 3.08Å | ||
| 760 | Q | 54.6 | Low | 56.5 | Low | 118 Ų | 118 | 100 Ų | 100 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | trans | -62.2 | 112.8 | 169.9 | -162.3 | 173.6 | 10.1 | 0 | 0 | 106.8 | C758 L762 | C758-Q760 PolarHBondContact O-N 2.84Å; Q760-L762 PolarHBondContact O-N 3Å | ||
| 761 | K | 60.7 | Low | 55 | Low | 149 Ų | 149 | 103.6 Ų | 103.6 | 65% | 0.648 | 59% | 0.585 | S | S | * | * | trans | -60.7 | 135 | -178 | -73.9 | 179.4 | 178.6 | 172.8 | 0 | 108 | K759 T763 S764 | K759-K761 PolarHBondContact O-N 3.08Å; K761-T763 PolarHBondContact O-N 3.47Å; K761-S764 PolarHBondContact O-N 2.59Å; K761-S764 PolarHBondContact O-OG 2.92Å | ||
| 762 | L | 60.8 | Low | 53.5 | Low | 22 Ų | 22 | 104.5 Ų | 104.5 | 12% | 0.115 | 59% | 0.591 | C | S | . | * | G | 310 helix | trans | -51.4 | -29.3 | 177.3 | -142.3 | 121.9 | 0 | 0 | 0 | 112.8 | L706 F741 I744 Q745 Q748 Q760 S764 | L706-L762 HydrophobicContact CD2-CD2 4.1Å; L706-L762 HydrophobicContact CD2-CG 4.31Å; F741-L762 HydrophobicContact CE2-CD2 3.9Å; F741-L762 HydrophobicContact CZ-CD2 4.27Å; I744-L762 HydrophobicContact CG2-CD1 3.72Å; I744-L762 HydrophobicContact CG2-CG 4.49Å; Q745-L762 HydrophobicContact CG-CD1 4.43Å; Q748-L762 HydrophobicContact CG-CD1 4.41Å; Q748-L762 VanDerWaalsContact NE2-CD1 3.28Å; Q760-L762 PolarHBondContact O-N 3Å; L762-S764 VanDerWaalsContact C-N 3.32Å; L762-S764 PolarHBondContact O-N 3.08Å |
| 763 | T | 59.8 | Low | 52.8 | Low | 43 Ų | 43 | 107.4 Ų | 107.4 | 26% | 0.264 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -74.1 | -14.1 | 177.9 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | K761 | K761-T763 PolarHBondContact O-N 3.47Š|
| 764 | S | 61.8 | Low | 52.5 | Low | 66 Ų | 66 | 104.2 Ų | 104.2 | 46% | 0.462 | 61% | 0.608 | S | S | . | * | G | 310 helix | trans | -96.7 | -1.1 | 177.1 | 60.5 | 0 | 0 | 0 | 0 | 113.4 | K761 L762 | K761-S764 PolarHBondContact O-N 2.59Å; K761-S764 PolarHBondContact O-OG 2.92Å; L762-S764 VanDerWaalsContact C-N 3.32Å; L762-S764 PolarHBondContact O-N 3.08Å |
| 765 | I | 70.3 | Confident | 52.8 | Low | 51 Ų | 51 | 106.5 Ų | 106.5 | 26% | 0.262 | 61% | 0.608 | S | S | . | * | trans | -84.4 | 127.4 | 177 | -57.5 | 174.2 | 0 | 0 | 0 | 108.5 | L706 | L706-I765 HydrophobicContact CB-CB 4.13Å; L706-I765 HydrophobicContact CB-CG2 4.25Å; L706-I765 WeakPolarHBondContact CB-O 3.27Å; L706-I765 HydrophobicContact CD2-CB 4.2Å; L706-I765 HydrophobicContact CD2-CD1 4.2Å; L706-I765 HydrophobicContact CD2-CG2 4.14Å; L706-I765 PolarHBondContact N-O 3.17Å | ||
| 766 | Q | 72.4 | Confident | 53.5 | Low | 111 Ų | 111 | 108.4 Ų | 108.4 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | B | Isolated β-bridge | trans | -114.8 | 143 | 177.6 | -68.1 | -176.9 | -17.1 | 0 | 0 | 110.9 | T704 T768 C769 | T704-Q766 CarbonylContact O-C 3.56Å; T704-Q766 WeakPolarHBondContact O-CA 3.42Å; Q766-T768 PolarHBondContact O-N 3.21Å; Q766-C769 PolarHBondContact O-N 3.25Å |
| 767 | F | 68.7 | Low | 54.6 | Low | 115 Ų | 115 | 108.7 Ų | 108.7 | 50% | 0.504 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.1 | -21.6 | 173.7 | -85.8 | -82.6 | 0 | 0 | 0 | 113.4 | T704 L706 R709 L710 | T704-F767 WeakPolarHBondContact O-CD2 3.44Å; T704-F767 PolarHBondContact O-N 2.89Å; L706-F767 HydrophobicContact CB-CE2 4.47Å; L706-F767 HydrophobicContact CD1-CD2 4.38Å; L706-F767 HydrophobicContact CD1-CE2 3.5Å; L706-F767 VanDerWaalsContact CD1-CE2 3.5Å; L706-F767 HydrophobicContact CD1-CZ 3.6Å; R709-F767 HydrophobicContact CB-CD2 3.71Å; R709-F767 HydrophobicContact CB-CE2 3.58Å; R709-F767 HydrophobicContact CG-CD2 3.68Å; R709-F767 HydrophobicContact CG-CE2 3.56Å; R709-F767 HydrophobicContact CG-CZ 4.34Å; L710-F767 HydrophobicContact CD2-CZ 4.49Å |
| 768 | T | 61 | Low | 56.3 | Low | 82 Ų | 82 | 107.7 Ų | 107.7 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.2 | 14.4 | -179.5 | 46.1 | 0 | 0 | 0 | 0 | 113.7 | T704 Q766 D770 | T704-T768 HydrophobicContact CG2-CG2 3.46Å; T704-T768 VanDerWaalsContact CG2-CG2 3.46Å; T704-T768 PolarHBondContact OG1-OG1 3.27Å; Q766-T768 PolarHBondContact O-N 3.21Å; T768-D770 PolarHBondContact O-N 3.22Å |
| 769 | C | 51.6 | Low | 57.8 | Low | 97 Ų | 97 | 106.4 Ų | 106.4 | 66% | 0.655 | 55% | 0.549 | S | S | * | . | trans | -63.7 | 106.4 | 173.6 | -155 | 0 | 0 | 0 | 0 | 107.2 | Q766 T771 | Q766-C769 PolarHBondContact O-N 3.25Å; C769-T771 VanDerWaalsContact C-N 3.3Å; C769-T771 PolarHBondContact O-N 2.77Å | ||
| 770 | D | 44.7 | Very low | 59 | Low | 155 Ų | 155 | 101 Ų | 101 | 83% | 0.829 | 53% | 0.53 | S | S | * | . | trans | -50.9 | 103.5 | 166.3 | -82.9 | -37.6 | 0 | 0 | 0 | 105.7 | T768 D772 | T768-D770 PolarHBondContact O-N 3.22Å; D770-D772 PolarHBondContact O-N 2.74Å | ||
| 771 | T | 45.4 | Very low | 59.9 | Low | 120 Ų | 120 | 99.5 Ų | 99.5 | 74% | 0.736 | 53% | 0.53 | S | S | * | . | trans | -63 | 94.3 | 170.4 | 24.2 | 0 | 0 | 0 | 0 | 105.8 | C769 I773 | C769-T771 VanDerWaalsContact C-N 3.3Å; C769-T771 PolarHBondContact O-N 2.77Å; T771-I773 PolarHBondContact O-N 3.5Å | ||
| 772 | D | 40.6 | Very low | 60.8 | Low | 117 Ų | 117 | 95.5 Ų | 95.5 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | trans | -51.1 | 115.1 | 166.8 | -153.8 | -8.1 | 0 | 0 | 0 | 105.9 | D770 A774 Q775 | D770-D772 PolarHBondContact O-N 2.74Å; D772-A774 PolarHBondContact O-N 2.92Å; D772-Q775 PolarHBondContact O-N 3.03Å | ||
| 773 | I | 47.7 | Very low | 61.8 | Low | 143 Ų | 143 | 95.9 Ų | 95.9 | 73% | 0.733 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -12.6 | -168.2 | -63.7 | 170.4 | 0 | 0 | 0 | 111 | T771 F776 | T771-I773 PolarHBondContact O-N 3.5Å; I773-F776 HydrophobicContact CG2-CE2 4.2Å; I773-F776 WeakPolarHBondContact O-CD2 3.34Å; I773-F776 WeakPolarHBondContact O-CE2 3.3Å |
| 774 | A | 44.3 | Very low | 62.7 | Low | 90 Ų | 90 | 98.6 Ų | 98.6 | 74% | 0.744 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -11.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | D772 | D772-A774 PolarHBondContact O-N 2.92Š|
| 775 | Q | 48.3 | Very low | 63.9 | Low | 168 Ų | 168 | 96.8 Ų | 96.8 | 79% | 0.785 | 51% | 0.513 | S | S | * | . | trans | -116.4 | 54.6 | -177.2 | -69 | -169.7 | 2 | 0 | 0 | 113.7 | D772 R777 | D772-Q775 PolarHBondContact O-N 3.03Å; Q775-R777 PolarHBondContact O-N 2.76Å | ||
| 776 | F | 58.1 | Low | 64.7 | Low | 120 Ų | 120 | 96.1 Ų | 96.1 | 53% | 0.526 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 120.6 | 170.3 | -80.1 | -69.2 | 0 | 0 | 0 | 111.3 | H466 I773 Q778 | H466-F776 AromaticContact CE1-CD1 3.2Å; H466-F776 WeakPolarHBondContact CE1-CD1 3.24Å; H466-F776 AromaticContact CE1-CE1 3.53Å; H466-F776 AromaticContact CE1-CG 3.93Å; H466-F776 AromaticContact ND1-CD1 3.53Å; H466-F776 AromaticContact ND1-CG 3.91Å; I773-F776 HydrophobicContact CG2-CE2 4.2Å; I773-F776 WeakPolarHBondContact O-CD2 3.34Å; I773-F776 WeakPolarHBondContact O-CE2 3.3Å; F776-Q778 PolarHBondContact O-N 2.83Å |
| 777 | R | 68.5 | Low | 65.4 | Low | 131 Ų | 131 | 93.2 Ų | 93.2 | 49% | 0.494 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 127.5 | 168.2 | 176.7 | -179.2 | 170.8 | -113.9 | -13.9 | 109.1 | Q775 C780 D783 R786 | Q775-R777 PolarHBondContact O-N 2.76Å; R777-C780 PolarHBondContact NH2-SG 2.98Å; R777-D783 IonicContact CZ-OD1 2.88Å; R777-D783 VanDerWaalsContact CZ-OD1 3.24Å; R777-D783 IonicContact CZ-OD2 2.79Å; R777-D783 IonicContact NH1-OD1 2.75Å; R777-D783 PolarHBondContact NH1-OD1 3Å; R777-D783 IonicContact NH1-OD2 3.23Å; R777-D783 IonicContact NH2-OD1 3.21Å; R777-D783 PolarHBondContact NH2-OD1 3.26Å; R777-D783 IonicContact NH2-OD2 2.79Å; R777-D783 PolarHBondContact NH2-OD2 2.96Å; R777-R786 VanDerWaalsContact NH1-NH1 3.13Å |
| 778 | Q | 71.2 | Confident | 66.2 | Low | 106 Ų | 106 | 89.5 Ų | 89.5 | 50% | 0.495 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 145.9 | 176.8 | -70.1 | 163.5 | 10 | 0 | 0 | 111.3 | H466 N468 F776 | H466-Q778 CarbonylContact O-C 3.55Å; H466-Q778 WeakPolarHBondContact O-CA 3.27Å; N468-Q778 VanDerWaalsContact CG-CD 3.42Å; N468-Q778 VanDerWaalsContact CG-NE2 3.33Å; N468-Q778 PolarHBondContact ND2-NE2 2.92Å; N468-Q778 PolarHBondContact ND2-OE1 3.37Å; N468-Q778 VanDerWaalsContact OD1-CD 3.24Å; N468-Q778 PolarHBondContact OD1-NE2 3.23Å; F776-Q778 PolarHBondContact O-N 2.83Å |
| 779 | L | 74.4 | Confident | 67.5 | Low | 77 Ų | 77 | 86.3 Ų | 86.3 | 40% | 0.403 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 134.8 | 172.2 | -70.5 | 163.4 | 0 | 0 | 0 | 110.4 | I462 H466 | I462-L779 HydrophobicContact CG2-CD1 3.7Å; I462-L779 HydrophobicContact CG2-CD2 4.11Å; I462-L779 HydrophobicContact CG2-CG 4.44Å; H466-L779 HydrophobicContact CB-CD1 3.97Å; H466-L779 HydrophobicContact CB-CG 3.82Å; H466-L779 PolarHBondContact O-N 2.89Å |
| 780 | C | 74.3 | Confident | 69.3 | Low | 41 Ų | 41 | 85.4 Ų | 85.4 | 28% | 0.277 | 45% | 0.453 | S | S | . | . | trans | -127 | 159.4 | 173.4 | 65.7 | 0 | 0 | 0 | 0 | 110.6 | R777 D782 D783 | R777-C780 PolarHBondContact NH2-SG 2.98Å; C780-D782 PolarHBondContact O-N 3Å; C780-D782 VanDerWaalsContact O-N 3.08Å; C780-D783 PolarHBondContact N-OD2 2.93Å; C780-D783 WeakPolarHBondContact O-CB 3.26Å; C780-D783 PolarHBondContact O-N 3.02Å; C780-D783 PolarHBondContact SG-OD2 2.71Å | ||
| 781 | P | 73.5 | Confident | 71.2 | Confident | 85 Ų | 85 | 81.6 Ų | 81.6 | 55% | 0.552 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -55 | -29.5 | 179.4 | -27.5 | 35.8 | 0 | 0 | 0 | 114.1 | D783 I784 | P781-D783 PolarHBondContact O-N 3.22Å; P781-I784 PolarHBondContact O-N 2.92Å |
| 782 | D | 79 | Confident | 73.2 | Confident | 66 Ų | 66 | 76.3 Ų | 76.3 | 35% | 0.353 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.6 | -24.4 | 174.8 | -85.2 | -49.1 | 0 | 0 | 0 | 113.7 | C780 I784 R785 R786 | C780-D782 PolarHBondContact O-N 3Å; C780-D782 VanDerWaalsContact O-N 3.08Å; D782-I784 VanDerWaalsContact C-N 3.28Å; D782-I784 PolarHBondContact O-N 3.48Å; D782-R785 WeakPolarHBondContact O-CB 3.48Å; D782-R785 PolarHBondContact O-N 2.99Å; D782-R785 IonicContact OD1-CZ 2.67Å; D782-R785 IonicContact OD1-NE 3.24Å; D782-R785 PolarHBondContact OD1-NE 2.92Å; D782-R785 VanDerWaalsContact OD1-NE 3.15Å; D782-R785 IonicContact OD1-NH2 3.47Å; D782-R785 PolarHBondContact OD1-NH2 2.78Å; D782-R786 WeakPolarHBondContact O-CG 3.46Å; D782-R786 PolarHBondContact O-N 3.45Å |
| 783 | D | 82.1 | Confident | 75.4 | Confident | 30 Ų | 30 | 71 Ų | 71 | 16% | 0.16 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.8 | -28.5 | 179.2 | -63.1 | -48 | 0 | 0 | 0 | 112 | R777 C780 P781 R786 A787 | R777-D783 IonicContact CZ-OD1 2.88Å; R777-D783 VanDerWaalsContact CZ-OD1 3.24Å; R777-D783 IonicContact CZ-OD2 2.79Å; R777-D783 IonicContact NH1-OD1 2.75Å; R777-D783 PolarHBondContact NH1-OD1 3Å; R777-D783 IonicContact NH1-OD2 3.23Å; R777-D783 IonicContact NH2-OD1 3.21Å; R777-D783 PolarHBondContact NH2-OD1 3.26Å; R777-D783 IonicContact NH2-OD2 2.79Å; R777-D783 PolarHBondContact NH2-OD2 2.96Å; C780-D783 PolarHBondContact N-OD2 2.93Å; C780-D783 WeakPolarHBondContact O-CB 3.26Å; C780-D783 PolarHBondContact O-N 3.02Å; C780-D783 PolarHBondContact SG-OD2 2.71Å; P781-D783 PolarHBondContact O-N 3.22Å; D783-R786 PolarHBondContact O-N 3.26Å; D783-R786 IonicContact OD1-NH1 3.6Å; D783-R786 PolarHBondContact OD1-NH1 3.17Å; D783-A787 WeakPolarHBondContact O-CB 3.32Å; D783-A787 PolarHBondContact O-N 3Å |
| 784 | I | 79.7 | Confident | 77.2 | Confident | 99 Ų | 99 | 67.6 Ų | 67.6 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.5 | -44.4 | 173.6 | -50.2 | 179.5 | 0 | 0 | 0 | 110 | F551 P781 D782 R786 A787 F788 | F551-I784 HydrophobicContact CE1-CG2 3.91Å; F551-I784 HydrophobicContact CE2-CG2 3.67Å; F551-I784 HydrophobicContact CZ-CB 4.21Å; F551-I784 HydrophobicContact CZ-CG2 3.24Å; P781-I784 PolarHBondContact O-N 2.92Å; D782-I784 VanDerWaalsContact C-N 3.28Å; D782-I784 PolarHBondContact O-N 3.48Å; I784-R786 VanDerWaalsContact C-N 3.33Å; I784-R786 PolarHBondContact O-N 3.4Å; I784-A787 PolarHBondContact O-N 2.99Å; I784-F788 PolarHBondContact O-N 3.38Å |
| 785 | R | 85.5 | Confident | 78.9 | Confident | 28 Ų | 28 | 65.6 Ų | 65.6 | 11% | 0.106 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 174.3 | 177.9 | -175.1 | 59.5 | 72.1 | 0.1 | 110.9 | W578 E747 D782 F788 F789 | W578-R785 VanDerWaalsContact CZ2-CD 3.44Å; E747-R785 IonicContact OE1-CZ 3.27Å; E747-R785 IonicContact OE1-NH1 2.7Å; E747-R785 PolarHBondContact OE1-NH1 3.03Å; E747-R785 IonicContact OE1-NH2 3.12Å; E747-R785 PolarHBondContact OE1-NH2 2.95Å; E747-R785 IonicContact OE2-CZ 3.36Å; E747-R785 IonicContact OE2-NH1 2.75Å; E747-R785 IonicContact OE2-NH2 2.79Å; E747-R785 PolarHBondContact OE2-NH2 2.83Å; D782-R785 WeakPolarHBondContact O-CB 3.48Å; D782-R785 PolarHBondContact O-N 2.99Å; D782-R785 IonicContact OD1-CZ 2.67Å; D782-R785 IonicContact OD1-NE 3.24Å; D782-R785 PolarHBondContact OD1-NE 2.92Å; D782-R785 VanDerWaalsContact OD1-NE 3.15Å; D782-R785 IonicContact OD1-NH2 3.47Å; D782-R785 PolarHBondContact OD1-NH2 2.78Å; R785-F788 PolarHBondContact O-N 3.35Å; R785-F789 HydrophobicContact CG-CD1 4.11Å; R785-F789 HydrophobicContact CG-CD2 4.42Å; R785-F789 HydrophobicContact CG-CE1 3.74Å; R785-F789 HydrophobicContact CG-CE2 4.09Å; R785-F789 HydrophobicContact CG-CG 4.44Å; R785-F789 HydrophobicContact CG-CZ 3.73Å; R785-F789 WeakPolarHBondContact O-CB 3.49Å; R785-F789 VanDerWaalsContact O-CD1 3.25Å; R785-F789 WeakPolarHBondContact O-CD1 3.42Å; R785-F789 VanDerWaalsContact O-CG 3.3Å; R785-F789 WeakPolarHBondContact O-CG 3.4Å; R785-F789 PolarHBondContact O-N 3.49Å |
| 786 | R | 87.6 | Confident | 80.3 | Confident | 38 Ų | 38 | 57.7 Ų | 57.7 | 14% | 0.143 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 178 | -71.1 | 169 | -179.4 | 173.2 | 0.2 | 112.6 | W743 E747 R777 D782 D783 I784 F789 L790 | W743-R786 HydrophobicContact CZ2-CB 4.21Å; W743-R786 HydrophobicContact CZ2-CG 4.36Å; E747-R786 IonicContact OE2-CZ 3.13Å; E747-R786 VanDerWaalsContact OE2-CZ 3.23Å; E747-R786 IonicContact OE2-NE 2.81Å; E747-R786 PolarHBondContact OE2-NE 3.49Å; E747-R786 IonicContact OE2-NH2 3.63Å; E747-R786 PolarHBondContact OE2-NH2 3.06Å; R777-R786 VanDerWaalsContact NH1-NH1 3.13Å; D782-R786 WeakPolarHBondContact O-CG 3.46Å; D782-R786 PolarHBondContact O-N 3.45Å; D783-R786 PolarHBondContact O-N 3.26Å; D783-R786 IonicContact OD1-NH1 3.6Å; D783-R786 PolarHBondContact OD1-NH1 3.17Å; I784-R786 VanDerWaalsContact C-N 3.33Å; I784-R786 PolarHBondContact O-N 3.4Å; R786-F789 PolarHBondContact O-N 3.44Å; R786-L790 WeakPolarHBondContact O-CB 3.46Å; R786-L790 PolarHBondContact O-N 3.47Å |
| 787 | A | 86.5 | Confident | 81.2 | Confident | 50 Ų | 50 | 55.1 Ų | 55.1 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D783 I784 L790 I791 | D783-A787 WeakPolarHBondContact O-CB 3.32Å; D783-A787 PolarHBondContact O-N 3Å; I784-A787 PolarHBondContact O-N 2.99Å; A787-L790 WeakPolarHBondContact O-CB 3.43Å; A787-L790 PolarHBondContact O-N 3.29Å; A787-I791 WeakPolarHBondContact O-CG1 3.4Å; A787-I791 PolarHBondContact O-N 2.85Å |
| 788 | F | 85.6 | Confident | 80.9 | Confident | 37 Ų | 37 | 55.7 Ų | 55.7 | 16% | 0.162 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 176.5 | -177.6 | -99.6 | 0 | 0 | 0 | 112.9 | F551 L558 I784 R785 L790 I791 L792 | F551-F788 HydrophobicContact CD1-CB 4.26Å; F551-F788 AromaticContact CD1-CD2 3.85Å; F551-F788 HydrophobicContact CD1-CD2 3.85Å; F551-F788 HydrophobicContact CD1-CE2 4.49Å; F551-F788 HydrophobicContact CD1-CG 4.09Å; F551-F788 HydrophobicContact CE1-CB 3.69Å; F551-F788 HydrophobicContact CE1-CD2 4.15Å; F551-F788 AromaticContact CE1-CG 3.91Å; F551-F788 HydrophobicContact CE1-CG 3.91Å; L558-F788 HydrophobicContact CD1-CE2 4.49Å; I784-F788 PolarHBondContact O-N 3.38Å; R785-F788 PolarHBondContact O-N 3.35Å; F788-L790 VanDerWaalsContact C-N 3.31Å; F788-L790 PolarHBondContact O-N 2.95Å; F788-I791 PolarHBondContact O-N 3.31Å; F788-L792 PolarHBondContact O-N 2.92Å |
| 789 | F | 88.8 | Confident | 80.4 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 7% | 0.066 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 175 | -75.6 | 11.2 | 0 | 0 | 0 | 111.3 | F575 W578 W595 W743 R785 R786 L792 L793 | F575-F789 HydrophobicContact CD2-CD1 4.04Å; F575-F789 HydrophobicContact CD2-CD2 4.49Å; F575-F789 AromaticContact CD2-CE1 4Å; F575-F789 HydrophobicContact CD2-CE1 4Å; F575-F789 HydrophobicContact CD2-CE2 4.45Å; F575-F789 HydrophobicContact CD2-CG 4.3Å; F575-F789 HydrophobicContact CD2-CZ 4.21Å; F575-F789 HydrophobicContact CE2-CB 3.83Å; F575-F789 AromaticContact CE2-CD1 3.59Å; F575-F789 HydrophobicContact CE2-CD1 3.59Å; F575-F789 AromaticContact CE2-CD2 3.58Å; F575-F789 HydrophobicContact CE2-CD2 3.58Å; F575-F789 AromaticContact CE2-CE1 3.92Å; F575-F789 HydrophobicContact CE2-CE1 3.92Å; F575-F789 AromaticContact CE2-CE2 3.9Å; F575-F789 HydrophobicContact CE2-CE2 3.9Å; F575-F789 AromaticContact CE2-CG 3.42Å; F575-F789 HydrophobicContact CE2-CG 3.42Å; F575-F789 VanDerWaalsContact CE2-CG 3.42Å; F575-F789 HydrophobicContact CE2-CZ 4.06Å; F575-F789 HydrophobicContact CZ-CB 4.35Å; F575-F789 HydrophobicContact CZ-CD2 4.18Å; F575-F789 HydrophobicContact CZ-CG 4.24Å; W578-F789 HydrophobicContact CB-CZ 4.21Å; W578-F789 AromaticContact CD1-CE2 3.68Å; W578-F789 AromaticContact CD1-CZ 3.55Å; W578-F789 HydrophobicContact CD2-CZ 4.15Å; W578-F789 HydrophobicContact CG-CE2 4.27Å; W578-F789 AromaticContact CG-CZ 3.69Å; W578-F789 HydrophobicContact CG-CZ 3.69Å; W578-F789 AromaticContact NE1-CZ 3.9Å; W595-F789 HydrophobicContact CH2-CD2 4.25Å; W595-F789 HydrophobicContact CH2-CE2 4.29Å; W595-F789 HydrophobicContact CZ2-CE2 4.31Å; W743-F789 HydrophobicContact CH2-CB 4.07Å; W743-F789 HydrophobicContact CZ2-CB 3.66Å; W743-F789 HydrophobicContact CZ2-CD2 4.4Å; W743-F789 AromaticContact NE1-CD2 3.92Å; R785-F789 HydrophobicContact CG-CD1 4.11Å; R785-F789 HydrophobicContact CG-CD2 4.42Å; R785-F789 HydrophobicContact CG-CE1 3.74Å; R785-F789 HydrophobicContact CG-CE2 4.09Å; R785-F789 HydrophobicContact CG-CG 4.44Å; R785-F789 HydrophobicContact CG-CZ 3.73Å; R785-F789 WeakPolarHBondContact O-CB 3.49Å; R785-F789 VanDerWaalsContact O-CD1 3.25Å; R785-F789 WeakPolarHBondContact O-CD1 3.42Å; R785-F789 VanDerWaalsContact O-CG 3.3Å; R785-F789 WeakPolarHBondContact O-CG 3.4Å; R785-F789 PolarHBondContact O-N 3.49Å; R786-F789 PolarHBondContact O-N 3.44Å; F789-L792 PolarHBondContact O-N 3.29Å; F789-L793 WeakPolarHBondContact O-CB 3.36Å; F789-L793 VanDerWaalsContact O-CG 3.29Å; F789-L793 WeakPolarHBondContact O-CG 3.43Å; F789-L793 PolarHBondContact O-N 3.19Å |
| 790 | L | 89.2 | Confident | 79.4 | Confident | 78 Ų | 78 | 48.6 Ų | 48.6 | 41% | 0.408 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.3 | -47.9 | 174.9 | -176.4 | 62.6 | 0 | 0 | 0 | 111.2 | W743 R786 A787 F788 L792 L793 I794 | W743-L790 HydrophobicContact CH2-CB 3.99Å; W743-L790 HydrophobicContact CH2-CD1 4.5Å; W743-L790 HydrophobicContact CZ3-CB 4.46Å; W743-L790 HydrophobicContact CZ3-CD1 4.22Å; R786-L790 WeakPolarHBondContact O-CB 3.46Å; R786-L790 PolarHBondContact O-N 3.47Å; A787-L790 WeakPolarHBondContact O-CB 3.43Å; A787-L790 PolarHBondContact O-N 3.29Å; F788-L790 VanDerWaalsContact C-N 3.31Å; F788-L790 PolarHBondContact O-N 2.95Å; L790-L792 PolarHBondContact O-N 3.5Å; L790-L793 PolarHBondContact O-N 3.38Å; L790-I794 HydrophobicContact CD1-CD1 4.02Å; L790-I794 HydrophobicContact CD1-CG1 4.38Å; L790-I794 HydrophobicContact CD2-CD1 4.46Å; L790-I794 HydrophobicContact CG-CD1 3.77Å; L790-I794 HydrophobicContact CG-CG1 4.49Å; L790-I794 WeakPolarHBondContact O-CB 3.36Å; L790-I794 VanDerWaalsContact O-CG1 3.24Å; L790-I794 WeakPolarHBondContact O-CG1 3.37Å; L790-I794 PolarHBondContact O-N 2.77Å |
| 791 | I | 85.9 | Confident | 78.1 | Confident | 75 Ų | 75 | 48.8 Ų | 48.8 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59 | -48.2 | 177.5 | -66.6 | 169.8 | 0 | 0 | 0 | 110.3 | L558 A787 F788 L793 I794 F795 | L558-I791 HydrophobicContact CD1-CG2 3.58Å; A787-I791 WeakPolarHBondContact O-CG1 3.4Å; A787-I791 PolarHBondContact O-N 2.85Å; F788-I791 PolarHBondContact O-N 3.31Å; I791-L793 VanDerWaalsContact C-N 3.25Å; I791-L793 PolarHBondContact O-N 3.37Å; I791-I794 PolarHBondContact O-N 2.99Å; I791-I794 VanDerWaalsContact O-N 3.13Å; I791-F795 HydrophobicContact CG2-CD2 3.76Å; I791-F795 HydrophobicContact CG2-CE2 3.53Å; I791-F795 HydrophobicContact CG2-CZ 4.47Å; I791-F795 VanDerWaalsContact O-CD2 3.24Å; I791-F795 WeakPolarHBondContact O-CD2 3.4Å; I791-F795 PolarHBondContact O-N 3.34Å; I791-F795 VanDerWaalsContact O-N 3.08Å |
| 792 | L | 86 | Confident | 76.6 | Confident | 9 Ų | 9 | 48.3 Ų | 48.3 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.9 | -30.9 | 179.4 | -174.4 | 64.6 | 0 | 0 | 0 | 113 | L558 F575 F788 F789 L790 P796 | L558-L792 HydrophobicContact CD2-CD1 3.77Å; F575-L792 HydrophobicContact CB-CD2 3.79Å; F575-L792 HydrophobicContact CD2-CD2 3.58Å; F575-L792 HydrophobicContact CE2-CD2 4.19Å; F575-L792 HydrophobicContact CG-CD2 3.83Å; F788-L792 PolarHBondContact O-N 2.92Å; F789-L792 PolarHBondContact O-N 3.29Å; L790-L792 PolarHBondContact O-N 3.5Å; L792-P796 WeakPolarHBondContact O-CD 3.28Å; L792-P796 WeakPolarHBondContact O-CG 3.46Å |
| 793 | L | 87.7 | Confident | 74.6 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -80.3 | -28 | 176.1 | -70.3 | 173.3 | 0 | 0 | 0 | 113.1 | F575 L602 L736 L739 W743 F789 L790 I791 | F575-L793 HydrophobicContact CE1-CD2 3.99Å; F575-L793 HydrophobicContact CZ-CD1 4.22Å; F575-L793 HydrophobicContact CZ-CD2 4.1Å; F575-L793 HydrophobicContact CZ-CG 4.11Å; L602-L793 HydrophobicContact CD2-CD2 4.12Å; L736-L793 HydrophobicContact CD1-CD2 4.37Å; L739-L793 HydrophobicContact CD2-CD2 3.52Å; L739-L793 HydrophobicContact CG-CD2 4.27Å; W743-L793 HydrophobicContact CD2-CD1 4.3Å; W743-L793 HydrophobicContact CE3-CD1 3.59Å; W743-L793 HydrophobicContact CZ3-CD1 3.79Å; F789-L793 WeakPolarHBondContact O-CB 3.36Å; F789-L793 VanDerWaalsContact O-CG 3.29Å; F789-L793 WeakPolarHBondContact O-CG 3.43Å; F789-L793 PolarHBondContact O-N 3.19Å; L790-L793 PolarHBondContact O-N 3.38Å; I791-L793 VanDerWaalsContact C-N 3.25Å; I791-L793 PolarHBondContact O-N 3.37Å |
| 794 | I | 84.3 | Confident | 72.6 | Confident | 70 Ų | 70 | 46.1 Ų | 46.1 | 36% | 0.359 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -74.1 | -41.6 | 177.6 | -73.5 | 170.4 | 0 | 0 | 0 | 111.4 | L790 I791 V797 F798 | L790-I794 HydrophobicContact CD1-CD1 4.02Å; L790-I794 HydrophobicContact CD1-CG1 4.38Å; L790-I794 HydrophobicContact CD2-CD1 4.46Å; L790-I794 HydrophobicContact CG-CD1 3.77Å; L790-I794 HydrophobicContact CG-CG1 4.49Å; L790-I794 WeakPolarHBondContact O-CB 3.36Å; L790-I794 VanDerWaalsContact O-CG1 3.24Å; L790-I794 WeakPolarHBondContact O-CG1 3.37Å; L790-I794 PolarHBondContact O-N 2.77Å; I791-I794 PolarHBondContact O-N 2.99Å; I791-I794 VanDerWaalsContact O-N 3.13Å; I794-V797 WeakPolarHBondContact O-CB 3.43Å; I794-V797 PolarHBondContact O-N 3.32Å; I794-F798 HydrophobicContact CG2-CD2 3.77Å; I794-F798 HydrophobicContact CG2-CE2 3.42Å; I794-F798 VanDerWaalsContact CG2-CE2 3.42Å |
| 795 | F | 80 | Confident | 70.4 | Confident | 48 Ų | 48 | 47 Ų | 47 | 21% | 0.211 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -57.6 | -43.1 | -175.4 | -92.9 | -117.5 | 0 | 0 | 0 | 114.8 | L558 F562 L568 I791 V797 F798 L799 | L558-F795 HydrophobicContact CB-CD1 4.16Å; L558-F795 HydrophobicContact CB-CE1 3.87Å; L558-F795 HydrophobicContact CB-CZ 4.36Å; L558-F795 HydrophobicContact CD1-CE2 4.45Å; L558-F795 HydrophobicContact CD1-CZ 4.43Å; L558-F795 HydrophobicContact CD2-CB 4.04Å; L558-F795 HydrophobicContact CD2-CD1 3.81Å; L558-F795 HydrophobicContact CD2-CD2 4.34Å; L558-F795 HydrophobicContact CD2-CE1 4.3Å; L558-F795 HydrophobicContact CD2-CG 3.81Å; L558-F795 HydrophobicContact CG-CD1 4.46Å; L558-F795 HydrophobicContact CG-CE1 4.49Å; F562-F795 HydrophobicContact CD2-CE1 4.48Å; F562-F795 HydrophobicContact CE2-CD1 4.41Å; F562-F795 AromaticContact CE2-CE1 3.49Å; F562-F795 HydrophobicContact CE2-CE1 3.49Å; F562-F795 VanDerWaalsContact CE2-CE1 3.49Å; F562-F795 HydrophobicContact CE2-CZ 4.24Å; F562-F795 HydrophobicContact CZ-CD1 4.47Å; F562-F795 AromaticContact CZ-CE1 3.69Å; F562-F795 HydrophobicContact CZ-CE1 3.69Å; F562-F795 HydrophobicContact CZ-CZ 4.32Å; L568-F795 HydrophobicContact CD2-CB 4.2Å; I791-F795 HydrophobicContact CG2-CD2 3.76Å; I791-F795 HydrophobicContact CG2-CE2 3.53Å; I791-F795 HydrophobicContact CG2-CZ 4.47Å; I791-F795 VanDerWaalsContact O-CD2 3.24Å; I791-F795 WeakPolarHBondContact O-CD2 3.4Å; I791-F795 PolarHBondContact O-N 3.34Å; I791-F795 VanDerWaalsContact O-N 3.08Å; F795-V797 PolarHBondContact O-N 3.41Å; F795-V797 VanDerWaalsContact O-N 3.17Å; F795-F798 PolarHBondContact O-N 2.98Å; F795-F798 VanDerWaalsContact O-N 3.11Å; F795-L799 HydrophobicContact CD1-CD1 4.16Å; F795-L799 PolarHBondContact O-N 2.92Å; F795-L799 VanDerWaalsContact O-N 3.13Å |
| 796 | P | 79.1 | Confident | 68.2 | Low | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.019 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.2 | -24.1 | 172.6 | -26.9 | 34.2 | 0 | 0 | 0 | 114.4 | L568 L572 F732 L792 R800 | L568-P796 HydrophobicContact CD1-CB 4.39Å; L568-P796 HydrophobicContact CD1-CG 4.3Å; L572-P796 HydrophobicContact CD1-CG 4.17Å; F732-P796 HydrophobicContact CE2-CB 3.93Å; F732-P796 HydrophobicContact CZ-CB 4.13Å; F732-P796 WeakPolarHBondContact CZ-O 3.41Å; L792-P796 WeakPolarHBondContact O-CD 3.28Å; L792-P796 WeakPolarHBondContact O-CG 3.46Å; P796-R800 WeakPolarHBondContact O-CB 3.33Å |
| 797 | V | 75.8 | Confident | 65.7 | Low | 66 Ų | 66 | 47.5 Ų | 47.5 | 40% | 0.4 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.3 | -42.1 | 176.2 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | F732 L736 I794 F795 | F732-V797 HydrophobicContact CE1-CG2 4.11Å; F732-V797 HydrophobicContact CZ-CB 4.42Å; F732-V797 HydrophobicContact CZ-CG2 3.98Å; L736-V797 HydrophobicContact CD2-CG2 3.53Å; I794-V797 WeakPolarHBondContact O-CB 3.43Å; I794-V797 PolarHBondContact O-N 3.32Å; F795-V797 PolarHBondContact O-N 3.41Å; F795-V797 VanDerWaalsContact O-N 3.17Å |
| 798 | F | 63.8 | Low | 62.9 | Low | 143 Ų | 143 | 55.2 Ų | 55.2 | 63% | 0.627 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -77.6 | -33.5 | -177.8 | -72.1 | -73.7 | 0 | 0 | 0 | 113.6 | I794 F795 R800 | I794-F798 HydrophobicContact CG2-CD2 3.77Å; I794-F798 HydrophobicContact CG2-CE2 3.42Å; I794-F798 VanDerWaalsContact CG2-CE2 3.42Å; F795-F798 PolarHBondContact O-N 2.98Å; F795-F798 VanDerWaalsContact O-N 3.11Å; F798-R800 PolarHBondContact O-N 3.47Å |
| 799 | L | 59.5 | Low | 60.3 | Low | 21 Ų | 21 | 56.6 Ų | 56.6 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 12.7 | -170.5 | -68.4 | 167 | 0 | 0 | 0 | 114.5 | S561 F562 L568 F795 Y804 | S561-L799 WeakPolarHBondContact OG-CD1 3.26Å; F562-L799 HydrophobicContact CD1-CD2 4.36Å; L568-L799 HydrophobicContact CD1-CB 3.84Å; L568-L799 HydrophobicContact CD1-CD1 3.7Å; L568-L799 HydrophobicContact CD1-CG 4.4Å; L568-L799 HydrophobicContact CD2-CD1 4.17Å; L568-L799 HydrophobicContact CG-CD1 4.2Å; F795-L799 HydrophobicContact CD1-CD1 4.16Å; F795-L799 PolarHBondContact O-N 2.92Å; F795-L799 VanDerWaalsContact O-N 3.13Å; L799-Y804 HydrophobicContact CD2-CE2 4.14Å |
| 800 | R | 53.8 | Low | 57.6 | Low | 13 Ų | 13 | 58.4 Ų | 58.4 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -100.1 | -43.6 | -165.9 | -171.2 | 167.5 | 179.2 | -106.6 | 0.2 | 117.8 | Y721 Y728 E729 F732 P796 F798 | Y721-R800 PolarHBondContact OH-NH1 2.92Å; Y728-R800 PolarHBondContact O-NH2 3.33Å; E729-R800 PolarHBondContact O-NH1 3.45Å; E729-R800 PolarHBondContact O-NH2 2.92Å; F732-R800 VanDerWaalsContact CA-NH1 3.34Å; F732-R800 VanDerWaalsContact CA-NH2 3.32Å; F732-R800 VanDerWaalsContact CE2-CD 3.43Å; F732-R800 VanDerWaalsContact CG-NE 3.26Å; P796-R800 WeakPolarHBondContact O-CB 3.33Å; F798-R800 PolarHBondContact O-N 3.47Å |
| 801 | P | 46.8 | Very low | 54.8 | Low | 45 Ų | 45 | 61 Ų | 61 | 29% | 0.292 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -86.4 | -16 | -172.3 | -3.7 | 21.2 | 0 | 0 | 0 | 113.7 | V610 | V610-P801 WeakPolarHBondContact CG1-O 3.3Š|
| 802 | F | 42.8 | Very low | 52 | Low | 75 Ų | 75 | 61.5 Ų | 61.5 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -115.7 | 130.2 | -166.7 | -54.3 | -45.1 | 0 | 0 | 0 | 112.4 | R818 | F802-R818 HydrophobicContact CD1-CB 4.35Å; F802-R818 HydrophobicContact CD1-CG 4.34Å; F802-R818 HydrophobicContact CD2-CB 3.66Å; F802-R818 HydrophobicContact CD2-CG 4.5Å; F802-R818 HydrophobicContact CE1-CB 4.22Å; F802-R818 HydrophobicContact CE1-CG 4.13Å; F802-R818 HydrophobicContact CE2-CB 3.5Å; F802-R818 VanDerWaalsContact CE2-CB 3.5Å; F802-R818 HydrophobicContact CE2-CG 4.3Å; F802-R818 HydrophobicContact CG-CB 4.08Å; F802-R818 HydrophobicContact CG-CG 4.5Å; F802-R818 HydrophobicContact CZ-CB 3.76Å; F802-R818 VanDerWaalsContact CZ-CD 3.43Å; F802-R818 HydrophobicContact CZ-CG 4.07Å |
| 803 | G | 37.1 | Very low | 49.2 | Very low | 14 Ų | 14 | 66.6 Ų | 66.6 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | trans | -69.2 | 138.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K805 R806 | G803-K805 PolarHBondContact O-N 3.18Å; G803-R806 VanDerWaalsContact O-CB 3.22Å; G803-R806 WeakPolarHBondContact O-CB 3.04Å; G803-R806 WeakPolarHBondContact O-CD 3.39Å; G803-R806 VanDerWaalsContact O-CG 3.27Å; G803-R806 WeakPolarHBondContact O-CG 3.36Å; G803-R806 PolarHBondContact O-N 3.37Å; G803-R806 VanDerWaalsContact O-N 3.1Å | ||
| 804 | Y | 39.9 | Very low | 46.8 | Very low | 35 Ų | 35 | 69.3 Ų | 69.3 | 14% | 0.137 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -73.6 | -3.1 | -176 | -118.9 | -97.3 | 0 | 0 | 0 | 116.7 | S561 F562 F563 R565 L799 R806 I807 | S561-Y804 PolarHBondContact O-OH 2.89Å; F562-Y804 WeakPolarHBondContact CA-OH 3.3Å; F562-Y804 WeakPolarHBondContact O-CE1 3.49Å; F562-Y804 PolarHBondContact O-OH 3.31Å; F563-Y804 VanDerWaalsContact O-CD1 3.3Å; F563-Y804 WeakPolarHBondContact O-CD1 3.3Å; F563-Y804 VanDerWaalsContact O-CE1 3.25Å; F563-Y804 WeakPolarHBondContact O-CE1 3.41Å; R565-Y804 VanDerWaalsContact CD-CD2 3.46Å; R565-Y804 HydrophobicContact CG-CD2 3.13Å; R565-Y804 HydrophobicContact CG-CE2 3.36Å; R565-Y804 HydrophobicContact CG-CG 3.8Å; L799-Y804 HydrophobicContact CD2-CE2 4.14Å; Y804-R806 PolarHBondContact O-N 3.47Å; Y804-I807 HydrophobicContact CD1-CB 4.02Å; Y804-I807 HydrophobicContact CD1-CG1 4.17Å; Y804-I807 HydrophobicContact CE1-CB 3.7Å; Y804-I807 HydrophobicContact CE1-CD1 3.84Å; Y804-I807 HydrophobicContact CE1-CG1 3.84Å; Y804-I807 HydrophobicContact CE1-CG2 4.24Å; Y804-I807 HydrophobicContact CE2-CD1 4.02Å; Y804-I807 HydrophobicContact CE2-CG1 4.47Å; Y804-I807 PolarHBondContact O-N 3.01Å; Y804-I807 VanDerWaalsContact O-N 3.15Å |
| 805 | K | 33.6 | Very low | 44.6 | Very low | 119 Ų | 119 | 68.3 Ų | 68.3 | 52% | 0.517 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -60.4 | -11.2 | 161.8 | -86.3 | -175.3 | 173.1 | -178.1 | 0 | 111.8 | G803 | G803-K805 PolarHBondContact O-N 3.18Š|
| 806 | R | 38 | Very low | 42.2 | Very low | 48 Ų | 48 | 72.5 Ų | 72.5 | 18% | 0.181 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -75 | -11.9 | 172.3 | -70.9 | 168 | 169.6 | -113.3 | -17.6 | 116.2 | A273 G803 Y804 H817 R818 | A273-R806 HydrophobicContact CB-CG 4.17Å; G803-R806 VanDerWaalsContact O-CB 3.22Å; G803-R806 WeakPolarHBondContact O-CB 3.04Å; G803-R806 WeakPolarHBondContact O-CD 3.39Å; G803-R806 VanDerWaalsContact O-CG 3.27Å; G803-R806 WeakPolarHBondContact O-CG 3.36Å; G803-R806 PolarHBondContact O-N 3.37Å; G803-R806 VanDerWaalsContact O-N 3.1Å; Y804-R806 PolarHBondContact O-N 3.47Å; R806-H817 PolarHBondContact NH1-O 3.36Å; R806-R818 VanDerWaalsContact CZ-NE 3.33Å |
| 807 | I | 34.8 | Very low | 40.3 | Very low | 27 Ų | 27 | 75.8 Ų | 75.8 | 14% | 0.138 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -13.5 | -172.4 | -42 | -156 | 0 | 0 | 0 | 115.5 | F562 F563 Y804 I809 L810 | F562-I807 WeakPolarHBondContact O-CG2 3.35Å; F563-I807 HydrophobicContact CD1-CG2 4.42Å; Y804-I807 HydrophobicContact CD1-CB 4.02Å; Y804-I807 HydrophobicContact CD1-CG1 4.17Å; Y804-I807 HydrophobicContact CE1-CB 3.7Å; Y804-I807 HydrophobicContact CE1-CD1 3.84Å; Y804-I807 HydrophobicContact CE1-CG1 3.84Å; Y804-I807 HydrophobicContact CE1-CG2 4.24Å; Y804-I807 HydrophobicContact CE2-CD1 4.02Å; Y804-I807 HydrophobicContact CE2-CG1 4.47Å; Y804-I807 PolarHBondContact O-N 3.01Å; Y804-I807 VanDerWaalsContact O-N 3.15Å; I807-I809 PolarHBondContact O-N 3.3Å; I807-L810 HydrophobicContact CB-CB 4.37Å; I807-L810 HydrophobicContact CB-CD1 3.88Å; I807-L810 HydrophobicContact CD1-CD1 4.03Å; I807-L810 HydrophobicContact CG1-CD1 3.72Å; I807-L810 HydrophobicContact CG2-CB 3.67Å; I807-L810 HydrophobicContact CG2-CD1 3.59Å; I807-L810 HydrophobicContact CG2-CG 4.22Å; I807-L810 WeakPolarHBondContact O-CB 3.29Å; I807-L810 PolarHBondContact O-N 3.11Å |
| 808 | R | 28.8 | Very low | 38.3 | Very low | 213 Ų | 213 | 76.6 Ų | 76.6 | 80% | 0.804 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -23 | 168.1 | -106.4 | -171.2 | -178.7 | -171.5 | 0.3 | 112.8 | ||
| 809 | I | 31 | Very low | 36.4 | Very low | 65 Ų | 65 | 73 Ų | 73 | 33% | 0.333 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -38.6 | 171.1 | -63.2 | 173.5 | 0 | 0 | 0 | 109.6 | V90 I807 L811 A812 Q813 | V90-I809 HydrophobicContact CG2-CD1 3.98Å; I807-I809 PolarHBondContact O-N 3.3Å; I809-L811 VanDerWaalsContact C-N 3.28Å; I809-L811 PolarHBondContact O-N 3.02Å; I809-A812 CarbonylContact O-C 3.59Å; I809-A812 PolarHBondContact O-N 3.21Å; I809-Q813 CarbonylContact C-O 3.33Å; I809-Q813 HydrophobicContact CG2-CB 4.34Å; I809-Q813 CarbonylContact O-C 3.53Å; I809-Q813 PolarHBondContact O-N 2.93Å |
| 810 | L | 32.2 | Very low | 34.8 | Very low | 53 Ų | 53 | 74.8 Ų | 74.8 | 28% | 0.277 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -14.2 | -175.3 | -87.1 | 164.2 | 0 | 0 | 0 | 118 | I807 Q813 N815 | I807-L810 HydrophobicContact CB-CB 4.37Å; I807-L810 HydrophobicContact CB-CD1 3.88Å; I807-L810 HydrophobicContact CD1-CD1 4.03Å; I807-L810 HydrophobicContact CG1-CD1 3.72Å; I807-L810 HydrophobicContact CG2-CB 3.67Å; I807-L810 HydrophobicContact CG2-CD1 3.59Å; I807-L810 HydrophobicContact CG2-CG 4.22Å; I807-L810 WeakPolarHBondContact O-CB 3.29Å; I807-L810 PolarHBondContact O-N 3.11Å; L810-Q813 WeakPolarHBondContact CA-O 3.48Å; L810-Q813 PolarHBondContact N-O 2.85Å; L810-N815 WeakPolarHBondContact CD2-O 3.47Å |
| 811 | L | 30.2 | Very low | 33.5 | Very low | 133 Ų | 133 | 78.8 Ų | 78.8 | 70% | 0.696 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -11.1 | 170.2 | -78.4 | 178.2 | 0 | 0 | 0 | 114.1 | F563 I809 | F563-L811 HydrophobicContact CD1-CD1 3.58Å; F563-L811 HydrophobicContact CD1-CG 4.21Å; F563-L811 HydrophobicContact CE1-CD1 3.07Å; F563-L811 HydrophobicContact CE1-CD2 3.99Å; F563-L811 HydrophobicContact CE1-CG 3.4Å; F563-L811 VanDerWaalsContact CE1-CG 3.4Å; F563-L811 HydrophobicContact CE2-CD1 4.29Å; F563-L811 HydrophobicContact CG-CD1 4.41Å; F563-L811 HydrophobicContact CZ-CD1 3.48Å; F563-L811 VanDerWaalsContact CZ-CD1 3.48Å; F563-L811 HydrophobicContact CZ-CD2 4.04Å; F563-L811 HydrophobicContact CZ-CG 3.94Å; I809-L811 VanDerWaalsContact C-N 3.28Å; I809-L811 PolarHBondContact O-N 3.02Å |
| 812 | A | 27.3 | Very low | 32.5 | Very low | 85 Ų | 85 | 79.8 Ų | 79.8 | 70% | 0.702 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | -13 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | I809 | I809-A812 CarbonylContact O-C 3.59Å; I809-A812 PolarHBondContact O-N 3.21Å |
| 813 | Q | 27 | Very low | 31.7 | Very low | 117 Ų | 117 | 79 Ų | 79 | 55% | 0.547 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -172.1 | 133.8 | 171.5 | -106.4 | 163.2 | 1.9 | 0 | 0 | 110.1 | I809 L810 | I809-Q813 CarbonylContact C-O 3.33Å; I809-Q813 HydrophobicContact CG2-CB 4.34Å; I809-Q813 CarbonylContact O-C 3.53Å; I809-Q813 PolarHBondContact O-N 2.93Å; L810-Q813 WeakPolarHBondContact CA-O 3.48Å; L810-Q813 PolarHBondContact N-O 2.85Å |
| 814 | E | 37.1 | Very low | 31.1 | Very low | 63 Ų | 63 | 89 Ų | 89 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | trans | -47 | 144.4 | 177.3 | -75.5 | 150.4 | 128.3 | 0 | 0 | 114 | Y23 R440 | Y23-E814 WeakPolarHBondContact CB-OE1 3.48Å; Y23-E814 WeakPolarHBondContact CD1-OE1 3.48Å; R440-E814 IonicContact CZ-OE1 3.66Å; R440-E814 IonicContact CZ-OE2 3.43Å; R440-E814 IonicContact NE-OE1 3.51Å; R440-E814 IonicContact NH1-OE1 3.48Å; R440-E814 PolarHBondContact NH1-OE1 3.1Å; R440-E814 IonicContact NH1-OE2 3.33Å; R440-E814 PolarHBondContact NH1-OE2 2.83Å; R440-E814 VanDerWaalsContact NH2-CD 3.35Å; R440-E814 IonicContact NH2-OE1 3.68Å; R440-E814 PolarHBondContact NH2-OE1 3.29Å; R440-E814 IonicContact NH2-OE2 3.71Å | ||
| 815 | N | 37.8 | Very low | 30.4 | Very low | 48 Ų | 48 | 93.5 Ų | 93.5 | 26% | 0.257 | 46% | 0.457 | S | S | . | . | trans | 162.8 | 120.7 | 137.5 | -76.3 | -11.3 | 0 | 0 | 0 | 112.6 | F24 V109 L810 | F24-N815 VanDerWaalsContact CE1-OD1 3.22Å; F24-N815 WeakPolarHBondContact CE1-OD1 3.2Å; V109-N815 HydrophobicContact CG2-CB 4.35Å; L810-N815 WeakPolarHBondContact CD2-O 3.47Å | ||
| 816 | Y | 29.4 | Very low | 30 | Very low | 136 Ų | 136 | 93.9 Ų | 93.9 | 53% | 0.533 | 47% | 0.465 | S | S | . | . | trans | -112.8 | 104.6 | -175.7 | -177.6 | -91.2 | 0 | 0 | 0 | 109.7 | ||||
| 817 | H | 39.7 | Very low | 29.6 | Very low | 73 Ų | 73 | 96.2 Ų | 96.2 | 34% | 0.338 | 48% | 0.479 | S | S | . | . | trans | -149.7 | 110.1 | 175.5 | -104.2 | 12.5 | 0 | 0 | 0 | 115.7 | V109 R806 | V109-H817 WeakPolarHBondContact CG1-NE2 3.43Å; R806-H817 PolarHBondContact NH1-O 3.36Å | ||
| 818 | R | 32.8 | Very low | 29.3 | Very low | 83 Ų | 83 | 99.8 Ų | 99.8 | 31% | 0.313 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -165.6 | -2.1 | 142.4 | -108.8 | -171.3 | -162.4 | 177.2 | 6.5 | 114.4 | F802 R806 L820 | F802-R818 HydrophobicContact CD1-CB 4.35Å; F802-R818 HydrophobicContact CD1-CG 4.34Å; F802-R818 HydrophobicContact CD2-CB 3.66Å; F802-R818 HydrophobicContact CD2-CG 4.5Å; F802-R818 HydrophobicContact CE1-CB 4.22Å; F802-R818 HydrophobicContact CE1-CG 4.13Å; F802-R818 HydrophobicContact CE2-CB 3.5Å; F802-R818 VanDerWaalsContact CE2-CB 3.5Å; F802-R818 HydrophobicContact CE2-CG 4.3Å; F802-R818 HydrophobicContact CG-CB 4.08Å; F802-R818 HydrophobicContact CG-CG 4.5Å; F802-R818 HydrophobicContact CZ-CB 3.76Å; F802-R818 VanDerWaalsContact CZ-CD 3.43Å; F802-R818 HydrophobicContact CZ-CG 4.07Å; R806-R818 VanDerWaalsContact CZ-NE 3.33Å; R818-L820 VanDerWaalsContact C-N 3.33Å; R818-L820 PolarHBondContact O-N 3.06Å |
| 819 | S | 24.7 | Very low | 29.3 | Very low | 67 Ų | 67 | 93.6 Ų | 93.6 | 47% | 0.469 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -10.9 | 177.6 | 50.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 820 | L | 26.8 | Very low | 29.2 | Very low | 58 Ų | 58 | 95.2 Ų | 95.2 | 30% | 0.304 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -27.6 | -175.6 | -84.6 | 151.5 | 0 | 0 | 0 | 114.7 | F16 F20 R818 A822 A823 W824 | F16-L820 HydrophobicContact CZ-CD1 4.15Å; F16-L820 HydrophobicContact CZ-CD2 4.2Å; F20-L820 HydrophobicContact CZ-CD1 4.29Å; R818-L820 VanDerWaalsContact C-N 3.33Å; R818-L820 PolarHBondContact O-N 3.06Å; L820-A822 VanDerWaalsContact C-N 3.31Å; L820-A822 PolarHBondContact O-N 3.46Å; L820-A823 PolarHBondContact O-N 2.82Å; L820-A823 VanDerWaalsContact O-N 3.12Å; L820-W824 PolarHBondContact O-N 2.96Å |
| 821 | K | 26.7 | Very low | 29 | Very low | 98 Ų | 98 | 97.9 Ų | 97.9 | 43% | 0.426 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.8 | -32.9 | 178.2 | -158.4 | 170.2 | -176.5 | 175.7 | 0 | 112.1 | A823 E825 | K821-A823 VanDerWaalsContact C-N 3.27Å; K821-A823 PolarHBondContact O-N 3.38Å; K821-E825 WeakPolarHBondContact CE-OE1 3.33Å; K821-E825 WeakPolarHBondContact CE-OE2 3.47Å; K821-E825 PolarHBondContact O-N 3.25Å |
| 822 | A | 25.9 | Very low | 29 | Very low | 65 Ų | 65 | 95.5 Ų | 95.5 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76.6 | -5.9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.5 | L820 L826 | L820-A822 VanDerWaalsContact C-N 3.31Å; L820-A822 PolarHBondContact O-N 3.46Å; A822-L826 WeakPolarHBondContact O-CD1 3.3Å |
| 823 | A | 25.1 | Very low | 29.1 | Very low | 58 Ų | 58 | 96.3 Ų | 96.3 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -106.4 | -6.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L820 K821 | L820-A823 PolarHBondContact O-N 2.82Å; L820-A823 VanDerWaalsContact O-N 3.12Å; K821-A823 VanDerWaalsContact C-N 3.27Å; K821-A823 PolarHBondContact O-N 3.38Å |
| 824 | W | 23.8 | Very low | 29.2 | Very low | 225 Ų | 225 | 94.7 Ų | 94.7 | 85% | 0.852 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -126.5 | -15.2 | -179.9 | -92.5 | 64.2 | 0 | 0 | 0 | 113.5 | L820 | L820-W824 PolarHBondContact O-N 2.96Å |
| 825 | E | 24.9 | Very low | 28.6 | Very low | 130 Ų | 130 | 97.3 Ų | 97.3 | 61% | 0.607 | 48% | 0.482 | S | S | * | . | trans | -97 | 6.6 | 165.1 | -66.6 | 178.5 | 174.5 | 0 | 0 | 112.7 | K821 | K821-E825 WeakPolarHBondContact CE-OE1 3.33Å; K821-E825 WeakPolarHBondContact CE-OE2 3.47Å; K821-E825 PolarHBondContact O-N 3.25Å | ||
| 826 | L | 25.6 | Very low | 27.8 | Very low | 127 Ų | 127 | 101.8 Ų | 101.8 | 67% | 0.665 | 50% | 0.502 | S | S | * | . | trans | -113.2 | 0 | 159.3 | -82.3 | 170.6 | 0 | 0 | 0 | 108 | L692 A822 | L692-L826 HydrophobicContact CD1-CD2 3.99Å; L692-L826 HydrophobicContact CD2-CD2 3.32Å; L692-L826 HydrophobicContact CG-CD2 4.29Å; A822-L826 WeakPolarHBondContact O-CD1 3.3Å |
Retrieved 826 of 826 residues in 159.7 ms
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