| 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 | 57.5 | Low | 76.4 | Confident | 208 Ų | 208 | 142.9 Ų | 142.9 | 100% | 1.025 | 63% | 0.634 | S | S | * | * | 0 | -42 | 0 | -91.7 | 175.8 | 165.8 | 0 | 0 | 113.5 | R3 N4 | M1-R3 PolarHBondContact O-N 2.8Å; M1-R3 VanDerWaalsContact O-N 3.13Å; M1-N4 PolarHBondContact O-N 2.77Å | |||
| 2 | Y | 62.6 | Low | 77.4 | Confident | 167 Ų | 167 | 145.1 Ų | 145.1 | 66% | 0.655 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -50 | -37.1 | -176 | -87.6 | -82.7 | 0 | 0 | 0 | 117.8 | N4 E5 F6 | Y2-N4 PolarHBondContact O-N 3.2Å; Y2-N4 VanDerWaalsContact O-N 3.15Å; Y2-E5 PolarHBondContact O-N 2.9Å; Y2-E5 VanDerWaalsContact O-N 3.1Å; Y2-F6 HydrophobicContact CD1-CE2 4.04Å; Y2-F6 VanDerWaalsContact O-CD2 3.26Å; Y2-F6 WeakPolarHBondContact O-CD2 3.23Å; Y2-F6 PolarHBondContact O-N 3.25Å |
| 3 | R | 66.2 | Low | 78.4 | Confident | 215 Ų | 215 | 138.7 Ų | 138.7 | 81% | 0.811 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -58.9 | -31.9 | -176.6 | -162.7 | 178.6 | -176.9 | -172.4 | 1.3 | 113.4 | M1 T7 | M1-R3 PolarHBondContact O-N 2.8Å; M1-R3 VanDerWaalsContact O-N 3.13Å; R3-T7 PolarHBondContact O-N 3.28Å; R3-T7 PolarHBondContact O-OG1 3.18Å |
| 4 | N | 73.7 | Confident | 79.4 | Confident | 124 Ų | 124 | 133.6 Ų | 133.6 | 66% | 0.663 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -74 | -33.6 | -179.8 | -65.7 | -17.3 | 0 | 0 | 0 | 111.8 | M1 Y2 T7 A8 | M1-N4 PolarHBondContact O-N 2.77Å; Y2-N4 PolarHBondContact O-N 3.2Å; Y2-N4 VanDerWaalsContact O-N 3.15Å; N4-T7 PolarHBondContact O-N 3.26Å; N4-A8 PolarHBondContact O-N 3.35Å |
| 5 | E | 76.5 | Confident | 80.3 | Confident | 117 Ų | 117 | 130.1 Ų | 130.1 | 55% | 0.547 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.1 | -45.2 | 179.1 | -65.3 | 174 | -167.2 | 0 | 0 | 111.3 | Y2 T7 A8 W9 | Y2-E5 PolarHBondContact O-N 2.9Å; Y2-E5 VanDerWaalsContact O-N 3.1Å; E5-T7 VanDerWaalsContact C-N 3.33Å; E5-T7 PolarHBondContact O-N 3.04Å; E5-A8 PolarHBondContact O-N 3.11Å; E5-W9 PolarHBondContact O-N 3.35Å |
| 6 | F | 77 | Confident | 81.1 | Confident | 123 Ų | 123 | 128.3 Ų | 128.3 | 54% | 0.539 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60 | -42.5 | 174.5 | -74 | -71.4 | 0 | 0 | 0 | 112.1 | Y2 A8 W9 Y10 | Y2-F6 HydrophobicContact CD1-CE2 4.04Å; Y2-F6 VanDerWaalsContact O-CD2 3.26Å; Y2-F6 WeakPolarHBondContact O-CD2 3.23Å; Y2-F6 PolarHBondContact O-N 3.25Å; F6-A8 VanDerWaalsContact C-N 3.33Å; F6-A8 PolarHBondContact O-N 2.76Å; F6-W9 WeakPolarHBondContact O-CB 3.46Å; F6-W9 PolarHBondContact O-N 3.28Å; F6-Y10 WeakPolarHBondContact O-CD2 3.18Å; F6-Y10 PolarHBondContact O-N 2.83Å |
| 7 | T | 82.4 | Confident | 81.9 | Confident | 89 Ų | 89 | 130.6 Ų | 130.6 | 55% | 0.546 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.3 | -39.6 | 178.6 | -53 | 0 | 0 | 0 | 0 | 111.4 | R3 N4 E5 W9 R11 | R3-T7 PolarHBondContact O-N 3.28Å; R3-T7 PolarHBondContact O-OG1 3.18Å; N4-T7 PolarHBondContact O-N 3.26Å; E5-T7 VanDerWaalsContact C-N 3.33Å; E5-T7 PolarHBondContact O-N 3.04Å; T7-W9 VanDerWaalsContact C-N 3.34Å; T7-R11 WeakPolarHBondContact O-CB 3.08Å; T7-R11 PolarHBondContact O-N 2.87Å |
| 8 | A | 82.6 | Confident | 82.6 | Confident | 36 Ų | 36 | 125.3 Ų | 125.3 | 30% | 0.298 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.5 | -38.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N4 E5 F6 R12 | N4-A8 PolarHBondContact O-N 3.35Å; E5-A8 PolarHBondContact O-N 3.11Å; F6-A8 VanDerWaalsContact C-N 3.33Å; F6-A8 PolarHBondContact O-N 2.76Å; A8-R12 WeakPolarHBondContact O-CG 3.17Å; A8-R12 PolarHBondContact O-N 3.26Å; A8-R12 VanDerWaalsContact O-N 3.17Å |
| 9 | W | 86.2 | Confident | 83.3 | Confident | 142 Ų | 142 | 124.3 Ų | 124.3 | 54% | 0.538 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.5 | -53.2 | 174.9 | 178.9 | -101.1 | 0 | 0 | 0 | 112 | E5 F6 T7 R11 R12 M13 | E5-W9 PolarHBondContact O-N 3.35Å; F6-W9 WeakPolarHBondContact O-CB 3.46Å; F6-W9 PolarHBondContact O-N 3.28Å; T7-W9 VanDerWaalsContact C-N 3.34Å; W9-R11 VanDerWaalsContact C-N 3.27Å; W9-R11 PolarHBondContact O-N 3.46Å; W9-R12 PolarHBondContact O-N 3.47Å; W9-M13 HydrophobicContact CD2-CE 4.29Å; W9-M13 HydrophobicContact CD2-SD 3.82Å; W9-M13 HydrophobicContact CE3-CE 4.28Å; W9-M13 HydrophobicContact CE3-SD 4.07Å; W9-M13 HydrophobicContact CG-SD 4.43Å; W9-M13 HydrophobicContact CH2-CE 3.26Å; W9-M13 HydrophobicContact CH2-SD 4.09Å; W9-M13 HydrophobicContact CZ2-CE 3.25Å; W9-M13 HydrophobicContact CZ2-CG 4.4Å; W9-M13 HydrophobicContact CZ2-SD 3.83Å; W9-M13 HydrophobicContact CZ3-CE 3.8Å; W9-M13 HydrophobicContact CZ3-SD 4.19Å; W9-M13 PolarHBondContact O-N 3.41Å |
| 10 | Y | 88.1 | Confident | 84 | Confident | 167 Ų | 167 | 119.8 Ų | 119.8 | 66% | 0.655 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.3 | -39.4 | 178.2 | -80.1 | -67.7 | 0 | 0 | 0 | 112.4 | F6 R12 M13 S14 | F6-Y10 WeakPolarHBondContact O-CD2 3.18Å; F6-Y10 PolarHBondContact O-N 2.83Å; Y10-R12 VanDerWaalsContact C-N 3.32Å; Y10-R12 PolarHBondContact O-N 2.86Å; Y10-M13 PolarHBondContact O-N 3.46Å; Y10-S14 VanDerWaalsContact O-CB 3.3Å; Y10-S14 WeakPolarHBondContact O-CB 3.33Å; Y10-S14 PolarHBondContact O-N 2.8Å; Y10-S14 PolarHBondContact O-OG 3.42Å |
| 11 | R | 87.2 | Confident | 84.5 | Confident | 184 Ų | 184 | 118 Ų | 118 | 69% | 0.694 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.4 | -38.1 | 176.5 | -168.4 | -179 | 81.3 | -178.3 | 6.2 | 112.6 | T7 W9 S14 V15 | T7-R11 WeakPolarHBondContact O-CB 3.08Å; T7-R11 PolarHBondContact O-N 2.87Å; W9-R11 VanDerWaalsContact C-N 3.27Å; W9-R11 PolarHBondContact O-N 3.46Å; R11-S14 PolarHBondContact O-OG 3.46Å; R11-V15 WeakPolarHBondContact O-CG2 3.19Å |
| 12 | R | 88.3 | Confident | 86.4 | Confident | 169 Ų | 169 | 117.3 Ų | 117.3 | 64% | 0.638 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.7 | -44 | 177 | -69.8 | 171.6 | -174.5 | 178.6 | 2.6 | 110.5 | A8 W9 Y10 V15 V16 | A8-R12 WeakPolarHBondContact O-CG 3.17Å; A8-R12 PolarHBondContact O-N 3.26Å; A8-R12 VanDerWaalsContact O-N 3.17Å; W9-R12 PolarHBondContact O-N 3.47Å; Y10-R12 VanDerWaalsContact C-N 3.32Å; Y10-R12 PolarHBondContact O-N 2.86Å; R12-V15 PolarHBondContact O-N 3.3Å; R12-V16 PolarHBondContact O-N 2.85Å |
| 13 | M | 91.1 | Very high | 88 | Confident | 62 Ų | 62 | 112.8 Ų | 112.8 | 31% | 0.305 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.8 | -37.4 | -179.8 | -90.6 | 52.7 | -162.3 | 0 | 0 | 112.4 | W9 Y10 V15 V16 Y17 | W9-M13 HydrophobicContact CD2-CE 4.29Å; W9-M13 HydrophobicContact CD2-SD 3.82Å; W9-M13 HydrophobicContact CE3-CE 4.28Å; W9-M13 HydrophobicContact CE3-SD 4.07Å; W9-M13 HydrophobicContact CG-SD 4.43Å; W9-M13 HydrophobicContact CH2-CE 3.26Å; W9-M13 HydrophobicContact CH2-SD 4.09Å; W9-M13 HydrophobicContact CZ2-CE 3.25Å; W9-M13 HydrophobicContact CZ2-CG 4.4Å; W9-M13 HydrophobicContact CZ2-SD 3.83Å; W9-M13 HydrophobicContact CZ3-CE 3.8Å; W9-M13 HydrophobicContact CZ3-SD 4.19Å; W9-M13 PolarHBondContact O-N 3.41Å; Y10-M13 PolarHBondContact O-N 3.46Å; M13-V15 VanDerWaalsContact C-N 3.27Å; M13-V15 PolarHBondContact O-N 2.87Å; M13-V16 PolarHBondContact O-N 3.41Å; M13-V16 VanDerWaalsContact O-N 3.15Å; M13-Y17 HydrophobicContact CB-CD2 4.46Å; M13-Y17 VanDerWaalsContact O-CD2 3.3Å; M13-Y17 WeakPolarHBondContact O-CD2 3.42Å; M13-Y17 PolarHBondContact O-N 3.32Å |
| 14 | S | 92.6 | Very high | 89.4 | Confident | 68 Ų | 68 | 107.3 Ų | 107.3 | 48% | 0.476 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.3 | -35 | 179.1 | 65.3 | 0 | 0 | 0 | 0 | 112.4 | Y10 R11 G18 | Y10-S14 VanDerWaalsContact O-CB 3.3Å; Y10-S14 WeakPolarHBondContact O-CB 3.33Å; Y10-S14 PolarHBondContact O-N 2.8Å; Y10-S14 PolarHBondContact O-OG 3.42Å; R11-S14 PolarHBondContact O-OG 3.46Å; S14-G18 PolarHBondContact O-N 2.89Å |
| 15 | V | 91.9 | Very high | 90.5 | Very high | 81 Ų | 81 | 105 Ų | 105 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.2 | -44.5 | 174.8 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | R11 R12 M13 G18 I19 | R11-V15 WeakPolarHBondContact O-CG2 3.19Å; R12-V15 PolarHBondContact O-N 3.3Å; M13-V15 VanDerWaalsContact C-N 3.27Å; M13-V15 PolarHBondContact O-N 2.87Å; V15-G18 PolarHBondContact O-N 3.26Å; V15-I19 HydrophobicContact CG1-CD1 3.67Å; V15-I19 HydrophobicContact CG1-CG1 4.35Å; V15-I19 WeakPolarHBondContact O-CB 3.29Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.48Å; V15-I19 PolarHBondContact O-N 3.35Å |
| 16 | V | 94.1 | Very high | 91.4 | Very high | 101 Ų | 101 | 101.1 Ų | 101.1 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.5 | -46 | 177.3 | 177.2 | 0 | 0 | 0 | 0 | 111 | R12 M13 G20 | R12-V16 PolarHBondContact O-N 2.85Å; M13-V16 PolarHBondContact O-N 3.41Å; M13-V16 VanDerWaalsContact O-N 3.15Å; V16-G20 PolarHBondContact O-N 3.25Å |
| 17 | Y | 94.1 | Very high | 92.2 | Very high | 167 Ų | 167 | 98.7 Ų | 98.7 | 66% | 0.655 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 175.6 | -87.6 | -74.7 | 0 | 0 | 0 | 112 | M13 G20 T21 | M13-Y17 HydrophobicContact CB-CD2 4.46Å; M13-Y17 VanDerWaalsContact O-CD2 3.3Å; M13-Y17 WeakPolarHBondContact O-CD2 3.42Å; M13-Y17 PolarHBondContact O-N 3.32Å; Y17-G20 PolarHBondContact O-N 2.93Å; Y17-T21 VanDerWaalsContact O-CB 3.32Å; Y17-T21 WeakPolarHBondContact O-CB 3.33Å; Y17-T21 WeakPolarHBondContact O-CG2 3.37Å; Y17-T21 PolarHBondContact O-N 3.15Å; Y17-T21 PolarHBondContact O-OG1 3.26Å |
| 18 | G | 95.5 | Very high | 92.8 | Very high | 35 Ų | 35 | 99.5 Ų | 99.5 | 36% | 0.361 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.3 | -51.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | S14 V15 G20 T21 W22 | S14-G18 PolarHBondContact O-N 2.89Å; V15-G18 PolarHBondContact O-N 3.26Å; G18-G20 PolarHBondContact O-N 3.44Å; G18-T21 PolarHBondContact O-OG1 2.68Å; G18-T21 VanDerWaalsContact O-OG1 3.07Å; G18-W22 WeakPolarHBondContact O-CB 3.47Å; G18-W22 PolarHBondContact O-N 2.91Å |
| 19 | I | 95.3 | Very high | 93.2 | Very high | 106 Ų | 106 | 101.9 Ų | 101.9 | 54% | 0.544 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -45.8 | 178.1 | -66.8 | 171.2 | 0 | 0 | 0 | 110.8 | V15 W22 S23 | V15-I19 HydrophobicContact CG1-CD1 3.67Å; V15-I19 HydrophobicContact CG1-CG1 4.35Å; V15-I19 WeakPolarHBondContact O-CB 3.29Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.48Å; V15-I19 PolarHBondContact O-N 3.35Å; I19-W22 PolarHBondContact O-N 2.91Å; I19-S23 VanDerWaalsContact O-CB 3.27Å; I19-S23 WeakPolarHBondContact O-CB 3.26Å; I19-S23 PolarHBondContact O-N 2.85Å; I19-S23 PolarHBondContact O-OG 2.99Å |
| 20 | G | 96.5 | Very high | 93.3 | Very high | 35 Ų | 35 | 103 Ų | 103 | 36% | 0.361 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -49.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V16 Y17 G18 W22 S23 V24 | V16-G20 PolarHBondContact O-N 3.25Å; Y17-G20 PolarHBondContact O-N 2.93Å; G18-G20 PolarHBondContact O-N 3.44Å; G20-W22 PolarHBondContact O-N 3.21Å; G20-S23 PolarHBondContact O-N 3.29Å; G20-V24 WeakPolarHBondContact O-CG2 3.4Å; G20-V24 PolarHBondContact O-N 3.1Å |
| 21 | T | 96.1 | Very high | 93.3 | Very high | 82 Ų | 82 | 101.6 Ų | 101.6 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 178.8 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | Y17 G18 S23 V24 L25 | Y17-T21 VanDerWaalsContact O-CB 3.32Å; Y17-T21 WeakPolarHBondContact O-CB 3.33Å; Y17-T21 WeakPolarHBondContact O-CG2 3.37Å; Y17-T21 PolarHBondContact O-N 3.15Å; Y17-T21 PolarHBondContact O-OG1 3.26Å; G18-T21 PolarHBondContact O-OG1 2.68Å; G18-T21 VanDerWaalsContact O-OG1 3.07Å; T21-S23 VanDerWaalsContact C-N 3.34Å; T21-S23 PolarHBondContact O-N 3.29Å; T21-V24 PolarHBondContact O-N 3.45Å; T21-L25 WeakPolarHBondContact O-CB 3.19Å; T21-L25 PolarHBondContact O-N 3.24Å |
| 22 | W | 95.6 | Very high | 93.2 | Very high | 194 Ų | 194 | 95.5 Ų | 95.5 | 74% | 0.735 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.9 | -32.1 | 177.3 | -127.7 | -116.6 | 0 | 0 | 0 | 113 | G18 I19 G20 L25 G26 | G18-W22 WeakPolarHBondContact O-CB 3.47Å; G18-W22 PolarHBondContact O-N 2.91Å; I19-W22 PolarHBondContact O-N 2.91Å; G20-W22 PolarHBondContact O-N 3.21Å; W22-L25 HydrophobicContact CE3-CD2 4.45Å; W22-L25 HydrophobicContact CZ3-CD2 4.32Å; W22-G26 WeakPolarHBondContact O-CA 3.39Å; W22-G26 PolarHBondContact O-N 3.13Å |
| 23 | S | 96.5 | Very high | 92.9 | Very high | 72 Ų | 72 | 95.9 Ų | 95.9 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -45 | 175.1 | -58.9 | 0 | 0 | 0 | 0 | 111.1 | I19 G20 T21 G26 S27 | I19-S23 VanDerWaalsContact O-CB 3.27Å; I19-S23 WeakPolarHBondContact O-CB 3.26Å; I19-S23 PolarHBondContact O-N 2.85Å; I19-S23 PolarHBondContact O-OG 2.99Å; G20-S23 PolarHBondContact O-N 3.29Å; T21-S23 VanDerWaalsContact C-N 3.34Å; T21-S23 PolarHBondContact O-N 3.29Å; S23-G26 PolarHBondContact O-N 3.14Å; S23-S27 VanDerWaalsContact O-CB 3.32Å; S23-S27 WeakPolarHBondContact O-CB 3.43Å; S23-S27 PolarHBondContact O-N 3.38Å; S23-S27 PolarHBondContact O-OG 3.23Å |
| 24 | V | 96.6 | Very high | 92.4 | Very high | 100 Ų | 100 | 95.3 Ų | 95.3 | 61% | 0.606 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.2 | -49.3 | 176.2 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | G20 T21 G26 S27 L28 | G20-V24 WeakPolarHBondContact O-CG2 3.4Å; G20-V24 PolarHBondContact O-N 3.1Å; T21-V24 PolarHBondContact O-N 3.45Å; V24-G26 VanDerWaalsContact C-N 3.35Å; V24-G26 PolarHBondContact O-N 3.05Å; V24-S27 PolarHBondContact O-N 3.26Å; V24-S27 PolarHBondContact O-OG 3.06Å; V24-L28 PolarHBondContact O-N 3.29Å |
| 25 | L | 96.3 | Very high | 91.5 | Very high | 76 Ų | 76 | 96.5 Ų | 96.5 | 40% | 0.398 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 178.7 | -173.1 | 63.1 | 0 | 0 | 0 | 111.9 | T21 W22 L28 L29 | T21-L25 WeakPolarHBondContact O-CB 3.19Å; T21-L25 PolarHBondContact O-N 3.24Å; W22-L25 HydrophobicContact CE3-CD2 4.45Å; W22-L25 HydrophobicContact CZ3-CD2 4.32Å; L25-L28 PolarHBondContact O-N 3.43Å; L25-L29 HydrophobicContact CG-CD1 4.34Å; L25-L29 WeakPolarHBondContact O-CG 3.42Å; L25-L29 PolarHBondContact O-N 3.17Å |
| 26 | G | 95.7 | Very high | 90.3 | Very high | 35 Ų | 35 | 95 Ų | 95 | 36% | 0.361 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W22 S23 V24 L28 L29 Y30 | W22-G26 WeakPolarHBondContact O-CA 3.39Å; W22-G26 PolarHBondContact O-N 3.13Å; S23-G26 PolarHBondContact O-N 3.14Å; V24-G26 VanDerWaalsContact C-N 3.35Å; V24-G26 PolarHBondContact O-N 3.05Å; G26-L28 PolarHBondContact O-N 2.99Å; G26-L29 PolarHBondContact O-N 3.41Å; G26-Y30 VanDerWaalsContact O-CB 3.3Å; G26-Y30 WeakPolarHBondContact O-CB 3.33Å; G26-Y30 PolarHBondContact O-N 3.48Å |
| 27 | S | 94.2 | Very high | 88.9 | Confident | 71 Ų | 71 | 97.3 Ų | 97.3 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 176.3 | 75.9 | 0 | 0 | 0 | 0 | 112 | S23 V24 Y30 Y31 | S23-S27 VanDerWaalsContact O-CB 3.32Å; S23-S27 WeakPolarHBondContact O-CB 3.43Å; S23-S27 PolarHBondContact O-N 3.38Å; S23-S27 PolarHBondContact O-OG 3.23Å; V24-S27 PolarHBondContact O-N 3.26Å; V24-S27 PolarHBondContact O-OG 3.06Å; S27-Y30 PolarHBondContact O-N 2.94Å; S27-Y31 VanDerWaalsContact O-CB 3.31Å; S27-Y31 WeakPolarHBondContact O-CB 3.44Å; S27-Y31 PolarHBondContact O-N 3.33Å |
| 28 | L | 93.6 | Very high | 87.2 | Confident | 106 Ų | 106 | 91.9 Ų | 91.9 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 176.7 | -179.5 | 63.4 | 0 | 0 | 0 | 111.8 | V24 L25 G26 S32 | V24-L28 PolarHBondContact O-N 3.29Å; L25-L28 PolarHBondContact O-N 3.43Å; G26-L28 PolarHBondContact O-N 2.99Å; L28-S32 WeakPolarHBondContact O-CB 3.36Å; L28-S32 PolarHBondContact O-N 3.32Å; L28-S32 PolarHBondContact O-OG 3.46Å |
| 29 | L | 91.6 | Very high | 85.3 | Confident | 87 Ų | 87 | 93.6 Ų | 93.6 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 176.6 | -70 | 176.2 | 0 | 0 | 0 | 112 | L25 G26 S32 R33 | L25-L29 HydrophobicContact CG-CD1 4.34Å; L25-L29 WeakPolarHBondContact O-CG 3.42Å; L25-L29 PolarHBondContact O-N 3.17Å; G26-L29 PolarHBondContact O-N 3.41Å; L29-S32 WeakPolarHBondContact CA-OG 3.32Å; L29-S32 PolarHBondContact O-OG 2.85Å; L29-R33 WeakPolarHBondContact O-CB 3.3Å; L29-R33 VanDerWaalsContact O-CG 3.24Å; L29-R33 WeakPolarHBondContact O-CG 3.3Å; L29-R33 PolarHBondContact O-N 3.04Å |
| 30 | Y | 89.4 | Confident | 83.4 | Confident | 165 Ų | 165 | 93 Ų | 93 | 65% | 0.647 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.9 | -50.3 | 174.4 | -180 | -99.4 | 0 | 0 | 0 | 110.7 | G26 S27 S32 R33 T34 | G26-Y30 VanDerWaalsContact O-CB 3.3Å; G26-Y30 WeakPolarHBondContact O-CB 3.33Å; G26-Y30 PolarHBondContact O-N 3.48Å; S27-Y30 PolarHBondContact O-N 2.94Å; Y30-S32 PolarHBondContact O-N 3.24Å; Y30-R33 PolarHBondContact O-N 2.78Å; Y30-R33 VanDerWaalsContact O-N 3.17Å; Y30-T34 HydrophobicContact CD1-CG2 4.17Å; Y30-T34 HydrophobicContact CE1-CG2 3.74Å; Y30-T34 HydrophobicContact CE2-CG2 4.12Å; Y30-T34 WeakPolarHBondContact O-CG2 3.37Å; Y30-T34 PolarHBondContact O-N 3Å; Y30-T34 PolarHBondContact O-OG1 2.74Å |
| 31 | Y | 88.3 | Confident | 81.3 | Confident | 137 Ų | 137 | 96.9 Ų | 96.9 | 54% | 0.537 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 179.2 | -174.1 | -101.5 | 0 | 0 | 0 | 112.5 | S27 R33 T34 M35 | S27-Y31 VanDerWaalsContact O-CB 3.31Å; S27-Y31 WeakPolarHBondContact O-CB 3.44Å; S27-Y31 PolarHBondContact O-N 3.33Å; Y31-R33 VanDerWaalsContact C-N 3.31Å; Y31-R33 PolarHBondContact O-N 2.87Å; Y31-T34 VanDerWaalsContact CA-OG1 3.31Å; Y31-T34 WeakPolarHBondContact CA-OG1 3.37Å; Y31-T34 PolarHBondContact O-N 3.15Å; Y31-T34 PolarHBondContact O-OG1 3.02Å; Y31-M35 HydrophobicContact CD1-CG 3.96Å; Y31-M35 HydrophobicContact CD2-CG 4.43Å; Y31-M35 HydrophobicContact CE1-CE 4.11Å; Y31-M35 HydrophobicContact CE1-CG 3.59Å; Y31-M35 HydrophobicContact CE1-SD 4.31Å; Y31-M35 HydrophobicContact CE2-CG 4.1Å; Y31-M35 HydrophobicContact CE2-SD 4.29Å; Y31-M35 HydrophobicContact CG-CG 4.38Å; Y31-M35 WeakPolarHBondContact O-CB 3.4Å; Y31-M35 VanDerWaalsContact O-CG 3.24Å; Y31-M35 WeakPolarHBondContact O-CG 3.3Å; Y31-M35 PolarHBondContact O-N 3.39Å; Y31-M35 VanDerWaalsContact OH-CE 3.29Å; Y31-M35 WeakPolarHBondContact OH-CE 3.44Å |
| 32 | S | 83.7 | Confident | 79.3 | Confident | 56 Ų | 56 | 98.2 Ų | 98.2 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 176.7 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | L28 L29 Y30 A36 | L28-S32 WeakPolarHBondContact O-CB 3.36Å; L28-S32 PolarHBondContact O-N 3.32Å; L28-S32 PolarHBondContact O-OG 3.46Å; L29-S32 WeakPolarHBondContact CA-OG 3.32Å; L29-S32 PolarHBondContact O-OG 2.85Å; Y30-S32 PolarHBondContact O-N 3.24Å; S32-A36 VanDerWaalsContact O-CB 3.23Å; S32-A36 WeakPolarHBondContact O-CB 3.27Å; S32-A36 PolarHBondContact O-N 3.46Å |
| 33 | R | 82.1 | Confident | 77.2 | Confident | 178 Ų | 178 | 97.7 Ų | 97.7 | 67% | 0.672 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.4 | -40 | 173.7 | -74.2 | 175 | 179.6 | -168 | 0.9 | 112.9 | L29 Y30 Y31 A36 K37 | L29-R33 WeakPolarHBondContact O-CB 3.3Å; L29-R33 VanDerWaalsContact O-CG 3.24Å; L29-R33 WeakPolarHBondContact O-CG 3.3Å; L29-R33 PolarHBondContact O-N 3.04Å; Y30-R33 PolarHBondContact O-N 2.78Å; Y30-R33 VanDerWaalsContact O-N 3.17Å; Y31-R33 VanDerWaalsContact C-N 3.31Å; Y31-R33 PolarHBondContact O-N 2.87Å; R33-A36 PolarHBondContact O-N 3.49Å; R33-K37 WeakPolarHBondContact O-CB 3.43Å; R33-K37 WeakPolarHBondContact O-CG 3.32Å; R33-K37 PolarHBondContact O-N 3.02Å |
| 34 | T | 80.7 | Confident | 74.9 | Confident | 50 Ų | 50 | 101.5 Ų | 101.5 | 31% | 0.307 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.6 | -39.5 | 177.4 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | Y30 Y31 K37 S38 | Y30-T34 HydrophobicContact CD1-CG2 4.17Å; Y30-T34 HydrophobicContact CE1-CG2 3.74Å; Y30-T34 HydrophobicContact CE2-CG2 4.12Å; Y30-T34 WeakPolarHBondContact O-CG2 3.37Å; Y30-T34 PolarHBondContact O-N 3Å; Y30-T34 PolarHBondContact O-OG1 2.74Å; Y31-T34 VanDerWaalsContact CA-OG1 3.31Å; Y31-T34 WeakPolarHBondContact CA-OG1 3.37Å; Y31-T34 PolarHBondContact O-N 3.15Å; Y31-T34 PolarHBondContact O-OG1 3.02Å; T34-K37 PolarHBondContact O-N 3.22Å; T34-S38 WeakPolarHBondContact O-CB 3.29Å; T34-S38 PolarHBondContact O-N 2.79Å; T34-S38 PolarHBondContact O-OG 3.36Å |
| 35 | M | 73.4 | Confident | 72.3 | Confident | 92 Ų | 92 | 98.9 Ų | 98.9 | 45% | 0.453 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 173.9 | -69.5 | -68.4 | -98.6 | 0 | 0 | 111.8 | Y31 S38 S39 | Y31-M35 HydrophobicContact CD1-CG 3.96Å; Y31-M35 HydrophobicContact CD2-CG 4.43Å; Y31-M35 HydrophobicContact CE1-CE 4.11Å; Y31-M35 HydrophobicContact CE1-CG 3.59Å; Y31-M35 HydrophobicContact CE1-SD 4.31Å; Y31-M35 HydrophobicContact CE2-CG 4.1Å; Y31-M35 HydrophobicContact CE2-SD 4.29Å; Y31-M35 HydrophobicContact CG-CG 4.38Å; Y31-M35 WeakPolarHBondContact O-CB 3.4Å; Y31-M35 VanDerWaalsContact O-CG 3.24Å; Y31-M35 WeakPolarHBondContact O-CG 3.3Å; Y31-M35 PolarHBondContact O-N 3.39Å; Y31-M35 VanDerWaalsContact OH-CE 3.29Å; Y31-M35 WeakPolarHBondContact OH-CE 3.44Å; M35-S38 WeakPolarHBondContact CA-OG 3.31Å; M35-S38 PolarHBondContact O-OG 2.85Å; M35-S38 VanDerWaalsContact O-OG 3.06Å; M35-S39 VanDerWaalsContact O-CB 3.29Å; M35-S39 WeakPolarHBondContact O-CB 3.32Å; M35-S39 PolarHBondContact O-N 3.29Å; M35-S39 PolarHBondContact O-OG 3.5Å |
| 36 | A | 66.8 | Low | 69.8 | Low | 51 Ų | 51 | 99.8 Ų | 99.8 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S32 R33 S39 V40 | S32-A36 VanDerWaalsContact O-CB 3.23Å; S32-A36 WeakPolarHBondContact O-CB 3.27Å; S32-A36 PolarHBondContact O-N 3.46Å; R33-A36 PolarHBondContact O-N 3.49Å; A36-S39 PolarHBondContact O-N 2.65Å; A36-S39 PolarHBondContact O-OG 3.42Å; A36-V40 WeakPolarHBondContact O-CG2 3.3Å; A36-V40 PolarHBondContact O-N 2.67Å |
| 37 | K | 64.2 | Low | 67.3 | Low | 149 Ų | 149 | 102.9 Ų | 102.9 | 65% | 0.648 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.7 | -46.2 | 175.1 | -77.1 | -174.8 | 178.2 | -172.4 | 0 | 112.4 | R33 T34 S39 V40 D41 | R33-K37 WeakPolarHBondContact O-CB 3.43Å; R33-K37 WeakPolarHBondContact O-CG 3.32Å; R33-K37 PolarHBondContact O-N 3.02Å; T34-K37 PolarHBondContact O-N 3.22Å; K37-S39 VanDerWaalsContact C-N 3.27Å; K37-S39 PolarHBondContact O-N 2.81Å; K37-V40 PolarHBondContact O-N 2.84Å; K37-D41 PolarHBondContact O-N 2.87Å |
| 38 | S | 58.5 | Low | 64.9 | Low | 52 Ų | 52 | 103.7 Ų | 103.7 | 36% | 0.364 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63 | -35.3 | 177.9 | 71.6 | 0 | 0 | 0 | 0 | 111.4 | T34 M35 V40 D41 Q42 | T34-S38 WeakPolarHBondContact O-CB 3.29Å; T34-S38 PolarHBondContact O-N 2.79Å; T34-S38 PolarHBondContact O-OG 3.36Å; M35-S38 WeakPolarHBondContact CA-OG 3.31Å; M35-S38 PolarHBondContact O-OG 2.85Å; M35-S38 VanDerWaalsContact O-OG 3.06Å; S38-V40 VanDerWaalsContact C-N 3.27Å; S38-V40 PolarHBondContact O-N 2.89Å; S38-D41 PolarHBondContact O-N 2.95Å; S38-Q42 WeakPolarHBondContact O-CA 3.36Å; S38-Q42 WeakPolarHBondContact O-CB 3.34Å; S38-Q42 PolarHBondContact O-N 3.07Å |
| 39 | S | 55.9 | Low | 62.5 | Low | 71 Ų | 71 | 107 Ų | 107 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.2 | -26.8 | 175.3 | 73.8 | 0 | 0 | 0 | 0 | 113.6 | M35 A36 K37 | M35-S39 VanDerWaalsContact O-CB 3.29Å; M35-S39 WeakPolarHBondContact O-CB 3.32Å; M35-S39 PolarHBondContact O-N 3.29Å; M35-S39 PolarHBondContact O-OG 3.5Å; A36-S39 PolarHBondContact O-N 2.65Å; A36-S39 PolarHBondContact O-OG 3.42Å; K37-S39 VanDerWaalsContact C-N 3.27Å; K37-S39 PolarHBondContact O-N 2.81Å |
| 40 | V | 54.9 | Low | 60.4 | Low | 95 Ų | 95 | 107.7 Ų | 107.7 | 58% | 0.576 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -77.8 | -49.1 | 174.3 | 174.8 | 0 | 0 | 0 | 0 | 109.9 | A36 K37 S38 Q42 K43 | A36-V40 WeakPolarHBondContact O-CG2 3.3Å; A36-V40 PolarHBondContact O-N 2.67Å; K37-V40 PolarHBondContact O-N 2.84Å; S38-V40 VanDerWaalsContact C-N 3.27Å; S38-V40 PolarHBondContact O-N 2.89Å; V40-Q42 PolarHBondContact O-N 2.87Å; V40-K43 PolarHBondContact O-N 2.78Å |
| 41 | D | 54.3 | Low | 58.4 | Low | 116 Ų | 116 | 105 Ų | 105 | 62% | 0.62 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.1 | -35.4 | 179.9 | -73.7 | -41.7 | 0 | 0 | 0 | 112.7 | K37 S38 K43 D44 G45 | K37-D41 PolarHBondContact O-N 2.87Å; S38-D41 PolarHBondContact O-N 2.95Å; D41-K43 PolarHBondContact O-N 3.46Å; D41-D44 PolarHBondContact O-N 3.42Å; D41-D44 VanDerWaalsContact O-N 3.16Å; D41-G45 PolarHBondContact O-N 3.49Å |
| 42 | Q | 52.4 | Low | 56.7 | Low | 110 Ų | 110 | 102.8 Ų | 102.8 | 51% | 0.514 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.9 | -14.4 | 178.9 | -161 | 176.3 | 35.2 | 0 | 0 | 112.4 | S38 V40 | S38-Q42 WeakPolarHBondContact O-CA 3.36Å; S38-Q42 WeakPolarHBondContact O-CB 3.34Å; S38-Q42 PolarHBondContact O-N 3.07Å; V40-Q42 PolarHBondContact O-N 2.87Å |
| 43 | K | 51.6 | Low | 55.2 | Low | 183 Ų | 183 | 108.5 Ų | 108.5 | 80% | 0.796 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -77.3 | -25.8 | 172.3 | -155.3 | 167.3 | -175.7 | 174.5 | 0 | 112.3 | V40 D41 | V40-K43 PolarHBondContact O-N 2.78Å; D41-K43 PolarHBondContact O-N 3.46Å |
| 44 | D | 49.5 | Very low | 53.7 | Low | 152 Ų | 152 | 108.3 Ų | 108.3 | 81% | 0.813 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -101.6 | -16.7 | -179.9 | -72.1 | -24.9 | 0 | 0 | 0 | 113.6 | D41 | D41-D44 PolarHBondContact O-N 3.42Å; D41-D44 VanDerWaalsContact O-N 3.16Å |
| 45 | G | 42 | Very low | 52.3 | Low | 44 Ų | 44 | 110.7 Ų | 110.7 | 45% | 0.454 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -131.7 | 93 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D41 | D41-G45 PolarHBondContact O-N 3.49Š|
| 46 | S | 42.6 | Very low | 51.2 | Low | 95 Ų | 95 | 114.9 Ų | 114.9 | 66% | 0.664 | 66% | 0.66 | S | S | * | * | trans | 64.2 | 128.4 | 155.4 | -170.7 | 0 | 0 | 0 | 0 | 116.6 | S48 | S46-S48 PolarHBondContact O-N 3.49Š| ||
| 47 | A | 42.9 | Very low | 50.7 | Low | 100 Ų | 100 | 123.2 Ų | 123.2 | 83% | 0.826 | 68% | 0.68 | S | S | * | * | trans | -63.4 | 58.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E49 | A47-E49 PolarHBondContact O-N 2.94Š| ||
| 48 | S | 43.9 | Very low | 50.5 | Low | 88 Ų | 88 | 120.9 Ų | 120.9 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | trans | -74.5 | 84.4 | 168.8 | -171.6 | 0 | 0 | 0 | 0 | 107.4 | S46 V50 | S46-S48 PolarHBondContact O-N 3.49Å; S48-V50 PolarHBondContact O-N 2.7Å | ||
| 49 | E | 44.4 | Very low | 50.8 | Low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.822 | 71% | 0.705 | S | S | * | * | trans | 12.9 | 96.9 | 150.8 | -67 | 177.7 | 164.2 | 0 | 0 | 113.9 | A47 | A47-E49 PolarHBondContact O-N 2.94Š| ||
| 50 | V | 46.1 | Very low | 51 | Low | 102 Ų | 102 | 126.8 Ų | 126.8 | 62% | 0.618 | 70% | 0.704 | S | S | * | * | trans | -42.3 | 126.7 | 163.2 | 176.9 | 0 | 0 | 0 | 0 | 108.7 | S48 S52 | S48-V50 PolarHBondContact O-N 2.7Å; V50-S52 PolarHBondContact O-N 2.7Å | ||
| 51 | P | 47.8 | Very low | 51.5 | Low | 108 Ų | 108 | 131.3 Ų | 131.3 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | trans | -65.5 | 86.6 | 166.5 | -11.9 | 26.4 | 0 | 0 | 0 | 107.8 | E53 | P51-E53 PolarHBondContact O-N 3.24Š| ||
| 52 | S | 52.8 | Low | 52.1 | Low | 90 Ų | 90 | 136.4 Ų | 136.4 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -68.2 | 3.9 | 176.6 | -100.9 | 0 | 0 | 0 | 0 | 113 | V50 L54 S55 | V50-S52 PolarHBondContact O-N 2.7Å; S52-L54 PolarHBondContact O-N 2.87Å; S52-S55 PolarHBondContact O-N 3.41Å; S52-S55 PolarHBondContact O-OG 3.38Å; S52-S55 VanDerWaalsContact O-OG 3.06Å |
| 53 | E | 51.5 | Low | 53.3 | Low | 177 Ų | 177 | 136.6 Ų | 136.6 | 83% | 0.827 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -72.6 | -7.4 | 178.7 | -62.7 | -162.2 | 146.8 | 0 | 0 | 113.9 | P51 S55 | P51-E53 PolarHBondContact O-N 3.24Å; E53-S55 PolarHBondContact O-N 2.85Å |
| 54 | L | 52.5 | Low | 54.3 | Low | 174 Ų | 174 | 136.2 Ų | 136.2 | 91% | 0.911 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -73.7 | -0.4 | 170.9 | -74 | 178.8 | 0 | 0 | 0 | 114.3 | S52 | S52-L54 PolarHBondContact O-N 2.87Š|
| 55 | S | 49.6 | Very low | 55.5 | Low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -89.8 | 4.4 | 176 | 68.8 | 0 | 0 | 0 | 0 | 114.6 | S52 E53 R57 | S52-S55 PolarHBondContact O-N 3.41Å; S52-S55 PolarHBondContact O-OG 3.38Å; S52-S55 VanDerWaalsContact O-OG 3.06Å; E53-S55 PolarHBondContact O-N 2.85Å; S55-R57 PolarHBondContact O-N 3.5Å |
| 56 | E | 51 | Low | 57.1 | Low | 180 Ų | 180 | 137.7 Ų | 137.7 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | trans | -68.8 | 77.5 | 163.2 | -108.7 | -174.2 | 173.4 | 0 | 0 | 109 | P58 | E56-P58 VanDerWaalsContact O-CD 3.29Å; E56-P58 WeakPolarHBondContact O-CD 3.29Å | ||
| 57 | R | 57.5 | Low | 58.4 | Low | 225 Ų | 225 | 138.9 Ų | 138.9 | 85% | 0.849 | 75% | 0.746 | S | S | * | * | trans | -41.1 | 114.9 | 161.5 | -177 | -177 | -159.6 | -164 | 5 | 105.4 | S55 K59 | S55-R57 PolarHBondContact O-N 3.5Å; R57-K59 PolarHBondContact O-N 3.31Å | ||
| 58 | P | 59.9 | Low | 59.8 | Low | 100 Ų | 100 | 139.4 Ų | 139.4 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | trans | -51.6 | 113.7 | 177.4 | -24.3 | 31.9 | 0 | 0 | 0 | 105.9 | E56 G60 | E56-P58 VanDerWaalsContact O-CD 3.29Å; E56-P58 WeakPolarHBondContact O-CD 3.29Å; P58-G60 VanDerWaalsContact C-N 3.33Å; P58-G60 WeakPolarHBondContact O-CA 3.31Å; P58-G60 PolarHBondContact O-N 2.99Å | ||
| 59 | K | 64.4 | Low | 61 | Low | 201 Ų | 201 | 144.2 Ų | 144.2 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | -50.6 | 106.8 | 179.2 | -152.3 | 172.9 | -170.5 | 175.5 | 0 | 104 | R57 F61 | R57-K59 PolarHBondContact O-N 3.31Å; K59-F61 PolarHBondContact O-N 2.94Å | ||
| 60 | G | 59.3 | Low | 62.3 | Low | 46 Ų | 46 | 141.8 Ų | 141.8 | 47% | 0.474 | 73% | 0.732 | S | S | . | * | trans | -47.3 | 131.1 | -159.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | P58 Y62 | P58-G60 VanDerWaalsContact C-N 3.33Å; P58-G60 WeakPolarHBondContact O-CA 3.31Å; P58-G60 PolarHBondContact O-N 2.99Å; G60-Y62 WeakPolarHBondContact O-CD2 3.47Å; G60-Y62 PolarHBondContact O-N 3.44Å | ||
| 61 | F | 65.6 | Low | 63.4 | Low | 190 Ų | 190 | 144.8 Ų | 144.8 | 83% | 0.833 | 74% | 0.739 | S | S | * | * | trans | -65.9 | 87 | 172.2 | -69.8 | -79.8 | 0 | 0 | 0 | 107.1 | K59 V63 | K59-F61 PolarHBondContact O-N 2.94Å; F61-V63 VanDerWaalsContact C-N 3.3Å; F61-V63 HydrophobicContact CB-CG2 4.42Å; F61-V63 PolarHBondContact O-N 3.06Å | ||
| 62 | Y | 67 | Low | 64.2 | Low | 224 Ų | 224 | 146.3 Ų | 146.3 | 88% | 0.878 | 74% | 0.742 | S | S | * | * | trans | -70.7 | 93.8 | 169.1 | -82.4 | -88 | 0 | 0 | 0 | 106.5 | G60 | G60-Y62 WeakPolarHBondContact O-CD2 3.47Å; G60-Y62 PolarHBondContact O-N 3.44Å | ||
| 63 | V | 76.7 | Confident | 64.9 | Low | 114 Ų | 114 | 148.7 Ų | 148.7 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | trans | -91.1 | 100 | 173 | 177.3 | 0 | 0 | 0 | 0 | 107.1 | F61 T65 | F61-V63 VanDerWaalsContact C-N 3.3Å; F61-V63 HydrophobicContact CB-CG2 4.42Å; F61-V63 PolarHBondContact O-N 3.06Å; V63-T65 PolarHBondContact O-N 3.36Å | ||
| 64 | E | 73.1 | Confident | 65.6 | Low | 174 Ų | 174 | 145 Ų | 145 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | -68.6 | 115.5 | 167.1 | -75.7 | -172.9 | 164.8 | 0 | 0 | 108.9 | V66 | E64-V66 PolarHBondContact O-N 3.27Š| ||
| 65 | T | 74.6 | Confident | 66.3 | Low | 112 Ų | 112 | 139.2 Ų | 139.2 | 69% | 0.687 | 70% | 0.703 | S | S | * | * | trans | -91.1 | 92.5 | 174.2 | -53.4 | 0 | 0 | 0 | 0 | 108 | V63 V67 | V63-T65 PolarHBondContact O-N 3.36Å; T65-V67 HydrophobicContact CG2-CG2 3.88Å; T65-V67 PolarHBondContact O-N 3.2Å; T65-V67 VanDerWaalsContact O-N 3.14Å | ||
| 66 | V | 76.1 | Confident | 67.2 | Low | 116 Ų | 116 | 139.1 Ų | 139.1 | 70% | 0.703 | 70% | 0.695 | S | S | * | * | trans | -77.2 | 98.2 | 171 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | E64 T68 | E64-V66 PolarHBondContact O-N 3.27Å; V66-T68 PolarHBondContact O-N 3.06Å | ||
| 67 | V | 70 | Confident | 68.4 | Low | 119 Ų | 119 | 135.3 Ų | 135.3 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | trans | -81 | 96.6 | 173.2 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | T65 Y69 | T65-V67 HydrophobicContact CG2-CG2 3.88Å; T65-V67 PolarHBondContact O-N 3.2Å; T65-V67 VanDerWaalsContact O-N 3.14Å; V67-Y69 PolarHBondContact O-N 3.22Å | ||
| 68 | T | 72 | Confident | 69.2 | Low | 112 Ų | 112 | 130.9 Ų | 130.9 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | trans | -80 | 103 | 169.6 | -56.7 | 0 | 0 | 0 | 0 | 108.4 | V66 K70 | V66-T68 PolarHBondContact O-N 3.06Å; T68-K70 PolarHBondContact O-N 2.86Å | ||
| 69 | Y | 69.9 | Low | 70.2 | Confident | 188 Ų | 188 | 131.8 Ų | 131.8 | 74% | 0.737 | 67% | 0.666 | S | S | * | * | trans | -72.2 | 123 | 172.3 | -173.9 | -105.6 | 0 | 0 | 0 | 109.2 | V67 E71 | V67-Y69 PolarHBondContact O-N 3.22Å; Y69-E71 HydrophobicContact CD1-CG 4.18Å; Y69-E71 HydrophobicContact CE1-CG 3.59Å | ||
| 70 | K | 71.7 | Confident | 71.1 | Confident | 125 Ų | 125 | 126.7 Ų | 126.7 | 54% | 0.543 | 65% | 0.648 | S | S | . | * | trans | -117.1 | 123.8 | 169.3 | -138.8 | -168.2 | -179.4 | -154.6 | 0 | 106.2 | T68 D72 F73 | T68-K70 PolarHBondContact O-N 2.86Å; K70-D72 PolarHBondContact O-N 3.17Å; K70-F73 HydrophobicContact CB-CD2 3.14Å; K70-F73 HydrophobicContact CB-CE2 3.5Å; K70-F73 HydrophobicContact CB-CG 4.16Å; K70-F73 HydrophobicContact CD-CD2 3.92Å; K70-F73 HydrophobicContact CD-CE2 3.68Å; K70-F73 HydrophobicContact CD-CZ 4.35Å; K70-F73 HydrophobicContact CG-CD2 4.17Å; K70-F73 HydrophobicContact CG-CE2 4.2Å; K70-F73 PolarHBondContact O-N 2.94Å | ||
| 71 | E | 68.8 | Low | 72 | Confident | 165 Ų | 165 | 130.1 Ų | 130.1 | 77% | 0.771 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -30.3 | -177.9 | -72.6 | 173.9 | -179.6 | 0 | 0 | 112.2 | Y69 | Y69-E71 HydrophobicContact CD1-CG 4.18Å; Y69-E71 HydrophobicContact CE1-CG 3.59Å |
| 72 | D | 65.3 | Low | 72.7 | Confident | 141 Ų | 141 | 126.2 Ų | 126.2 | 75% | 0.754 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96 | 15.6 | -177.4 | -48.5 | -43 | 0 | 0 | 0 | 114.4 | K70 V74 | K70-D72 PolarHBondContact O-N 3.17Å; D72-V74 PolarHBondContact O-N 3.44Å |
| 73 | F | 66.3 | Low | 73.4 | Confident | 139 Ų | 139 | 123.5 Ų | 123.5 | 61% | 0.61 | 63% | 0.632 | S | S | * | * | trans | -70.2 | 116.6 | 177.5 | -104.7 | -65.8 | 0 | 0 | 0 | 110.2 | K70 P75 | K70-F73 HydrophobicContact CB-CD2 3.14Å; K70-F73 HydrophobicContact CB-CE2 3.5Å; K70-F73 HydrophobicContact CB-CG 4.16Å; K70-F73 HydrophobicContact CD-CD2 3.92Å; K70-F73 HydrophobicContact CD-CE2 3.68Å; K70-F73 HydrophobicContact CD-CZ 4.35Å; K70-F73 HydrophobicContact CG-CD2 4.17Å; K70-F73 HydrophobicContact CG-CE2 4.2Å; K70-F73 PolarHBondContact O-N 2.94Å; F73-P75 VanDerWaalsContact O-CD 3.23Å; F73-P75 WeakPolarHBondContact O-CD 3.35Å | ||
| 74 | V | 65.8 | Low | 73.6 | Confident | 99 Ų | 99 | 125.3 Ų | 125.3 | 60% | 0.6 | 63% | 0.626 | S | S | * | * | trans | -52.7 | 115.9 | 166.3 | 178.7 | 0 | 0 | 0 | 0 | 107.3 | D72 N76 | D72-V74 PolarHBondContact O-N 3.44Å; V74-N76 VanDerWaalsContact C-N 3.35Å; V74-N76 PolarHBondContact O-N 2.98Å | ||
| 75 | P | 67.1 | Low | 73.8 | Confident | 53 Ų | 53 | 122.5 Ų | 122.5 | 34% | 0.344 | 61% | 0.612 | S | S | . | * | trans | -66.6 | 97.1 | -174 | -16.1 | 28.4 | 0 | 0 | 0 | 108.5 | F73 T77 E78 | F73-P75 VanDerWaalsContact O-CD 3.23Å; F73-P75 WeakPolarHBondContact O-CD 3.35Å; P75-T77 WeakPolarHBondContact CB-OG1 3.35Å; P75-T77 PolarHBondContact O-N 2.89Å; P75-E78 HydrophobicContact CB-CG 4.05Å; P75-E78 HydrophobicContact CG-CG 4.48Å; P75-E78 WeakPolarHBondContact O-CB 3.4Å; P75-E78 PolarHBondContact O-N 2.87Å | ||
| 76 | N | 69.3 | Low | 73.9 | Confident | 99 Ų | 99 | 121.1 Ų | 121.1 | 53% | 0.529 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -57.7 | -19.2 | 168.5 | -86.2 | -17 | 0 | 0 | 0 | 110.3 | V74 E78 K79 I80 | V74-N76 VanDerWaalsContact C-N 3.35Å; V74-N76 PolarHBondContact O-N 2.98Å; N76-E78 VanDerWaalsContact C-N 3.32Å; N76-E78 PolarHBondContact O-N 2.74Å; N76-K79 PolarHBondContact O-N 2.9Å; N76-I80 WeakPolarHBondContact O-CB 3.24Å; N76-I80 WeakPolarHBondContact O-CD1 3.24Å; N76-I80 WeakPolarHBondContact O-CG1 3.37Å; N76-I80 PolarHBondContact O-N 3.3Å |
| 77 | T | 75.4 | Confident | 74 | Confident | 99 Ų | 99 | 124.8 Ų | 124.8 | 61% | 0.607 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -57.2 | -39.3 | 168.8 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | P75 I80 L81 | P75-T77 WeakPolarHBondContact CB-OG1 3.35Å; P75-T77 PolarHBondContact O-N 2.89Å; T77-I80 PolarHBondContact O-N 3.42Å; T77-L81 WeakPolarHBondContact O-CB 3.41Å; T77-L81 PolarHBondContact O-N 3.07Å |
| 78 | E | 75.5 | Confident | 74.3 | Confident | 132 Ų | 132 | 123.7 Ų | 123.7 | 62% | 0.617 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.6 | -41.7 | 175.4 | -73.8 | 177 | -166.1 | 0 | 0 | 111.4 | P75 N76 L81 N82 | P75-E78 HydrophobicContact CB-CG 4.05Å; P75-E78 HydrophobicContact CG-CG 4.48Å; P75-E78 WeakPolarHBondContact O-CB 3.4Å; P75-E78 PolarHBondContact O-N 2.87Å; N76-E78 VanDerWaalsContact C-N 3.32Å; N76-E78 PolarHBondContact O-N 2.74Å; E78-L81 PolarHBondContact O-N 3.06Å; E78-N82 WeakPolarHBondContact O-CB 3.23Å; E78-N82 PolarHBondContact O-N 3.31Å |
| 79 | K | 80.6 | Confident | 74 | Confident | 119 Ų | 119 | 121.4 Ų | 121.4 | 52% | 0.517 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.7 | -47.8 | 174.4 | -68.8 | -178.9 | -178.7 | 172.4 | 0 | 111 | N76 L81 N82 Y83 | N76-K79 PolarHBondContact O-N 2.9Å; K79-L81 VanDerWaalsContact C-N 3.32Å; K79-L81 PolarHBondContact O-N 2.87Å; K79-N82 PolarHBondContact O-N 2.91Å; K79-Y83 WeakPolarHBondContact O-CD2 3.49Å; K79-Y83 PolarHBondContact O-N 2.8Å |
| 80 | I | 82.5 | Confident | 73.7 | Confident | 94 Ų | 94 | 113.7 Ų | 113.7 | 48% | 0.482 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.6 | -45.8 | 177.3 | -68 | 162.2 | 0 | 0 | 0 | 109.9 | N76 T77 N82 Y83 W84 | N76-I80 WeakPolarHBondContact O-CB 3.24Å; N76-I80 WeakPolarHBondContact O-CD1 3.24Å; N76-I80 WeakPolarHBondContact O-CG1 3.37Å; N76-I80 PolarHBondContact O-N 3.3Å; T77-I80 PolarHBondContact O-N 3.42Å; I80-N82 VanDerWaalsContact C-N 3.34Å; I80-N82 PolarHBondContact O-N 3.26Å; I80-Y83 PolarHBondContact O-N 3.39Å; I80-W84 WeakPolarHBondContact O-CB 3.38Å; I80-W84 VanDerWaalsContact O-CD1 3.27Å; I80-W84 PolarHBondContact O-N 3.33Å |
| 81 | L | 79.5 | Confident | 73.1 | Confident | 118 Ų | 118 | 113.1 Ų | 113.1 | 62% | 0.618 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -61.9 | -42.6 | 178.1 | -172 | 150.3 | 0 | 0 | 0 | 111.3 | T77 E78 K79 W84 K85 | T77-L81 WeakPolarHBondContact O-CB 3.41Å; T77-L81 PolarHBondContact O-N 3.07Å; E78-L81 PolarHBondContact O-N 3.06Å; K79-L81 VanDerWaalsContact C-N 3.32Å; K79-L81 PolarHBondContact O-N 2.87Å; L81-W84 PolarHBondContact O-N 3.45Å; L81-K85 VanDerWaalsContact O-CB 3.29Å; L81-K85 WeakPolarHBondContact O-CB 3.29Å; L81-K85 PolarHBondContact O-N 2.91Å |
| 82 | N | 80.1 | Confident | 72.4 | Confident | 108 Ų | 108 | 108.4 Ų | 108.4 | 58% | 0.578 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.6 | -41.3 | 177.4 | -159.7 | 16 | 0 | 0 | 0 | 111.7 | E78 K79 I80 K85 S86 | E78-N82 WeakPolarHBondContact O-CB 3.23Å; E78-N82 PolarHBondContact O-N 3.31Å; K79-N82 PolarHBondContact O-N 2.91Å; I80-N82 VanDerWaalsContact C-N 3.34Å; I80-N82 PolarHBondContact O-N 3.26Å; N82-K85 PolarHBondContact O-N 2.79Å; N82-S86 WeakPolarHBondContact O-CB 3.42Å; N82-S86 PolarHBondContact O-N 3.21Å; N82-S86 PolarHBondContact O-OG 2.7Å |
| 83 | Y | 81 | Confident | 71.9 | Confident | 168 Ų | 168 | 108.5 Ų | 108.5 | 66% | 0.659 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -59.6 | -49.3 | 172.8 | -82.3 | -62.9 | 0 | 0 | 0 | 111.6 | K79 I80 K85 S86 W87 | K79-Y83 WeakPolarHBondContact O-CD2 3.49Å; K79-Y83 PolarHBondContact O-N 2.8Å; I80-Y83 PolarHBondContact O-N 3.39Å; Y83-K85 VanDerWaalsContact C-N 3.33Å; Y83-K85 PolarHBondContact O-N 3.45Å; Y83-S86 PolarHBondContact O-N 2.96Å; Y83-S86 PolarHBondContact O-OG 3.06Å; Y83-W87 WeakPolarHBondContact O-CB 3.44Å; Y83-W87 PolarHBondContact O-N 2.91Å |
| 84 | W | 81 | Confident | 71.2 | Confident | 151 Ų | 151 | 110.1 Ų | 110.1 | 57% | 0.572 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -58.7 | -44.3 | 176.3 | -90.8 | 94.4 | 0 | 0 | 0 | 112 | I80 L81 W87 T88 | I80-W84 WeakPolarHBondContact O-CB 3.38Å; I80-W84 VanDerWaalsContact O-CD1 3.27Å; I80-W84 PolarHBondContact O-N 3.33Å; L81-W84 PolarHBondContact O-N 3.45Å; W84-W87 HydrophobicContact CE3-CE3 4.28Å; W84-W87 HydrophobicContact CE3-CZ3 4.48Å; W84-W87 HydrophobicContact CH2-CZ3 4.08Å; W84-W87 HydrophobicContact CZ3-CE3 4.26Å; W84-W87 HydrophobicContact CZ3-CZ3 4.04Å; W84-W87 PolarHBondContact O-N 2.72Å; W84-T88 HydrophobicContact CE3-CG2 4.06Å; W84-T88 HydrophobicContact CZ3-CG2 4.5Å; W84-T88 WeakPolarHBondContact O-CB 3Å; W84-T88 WeakPolarHBondContact O-CG2 3.5Å; W84-T88 PolarHBondContact O-N 3.35Å; W84-T88 PolarHBondContact O-OG1 3.38Å |
| 85 | K | 78.3 | Confident | 70.3 | Confident | 116 Ų | 116 | 115 Ų | 115 | 50% | 0.504 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.3 | -42.6 | 177.8 | -166.7 | 176.4 | -177.6 | -174.3 | 0 | 111.8 | L81 N82 Y83 T88 G90 | L81-K85 VanDerWaalsContact O-CB 3.29Å; L81-K85 WeakPolarHBondContact O-CB 3.29Å; L81-K85 PolarHBondContact O-N 2.91Å; N82-K85 PolarHBondContact O-N 2.79Å; Y83-K85 VanDerWaalsContact C-N 3.33Å; Y83-K85 PolarHBondContact O-N 3.45Å; K85-T88 PolarHBondContact O-OG1 3.39Å; K85-G90 PolarHBondContact O-N 3.06Å |
| 86 | S | 77 | Confident | 70.5 | Confident | 83 Ų | 83 | 118.1 Ų | 118.1 | 58% | 0.58 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.6 | -36.8 | 177 | 72 | 0 | 0 | 0 | 0 | 112.7 | N82 Y83 | N82-S86 WeakPolarHBondContact O-CB 3.42Å; N82-S86 PolarHBondContact O-N 3.21Å; N82-S86 PolarHBondContact O-OG 2.7Å; Y83-S86 PolarHBondContact O-N 2.96Å; Y83-S86 PolarHBondContact O-OG 3.06Å |
| 87 | W | 76.8 | Confident | 70.5 | Confident | 193 Ų | 193 | 119.1 Ų | 119.1 | 73% | 0.731 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -76.7 | -36.4 | -179.3 | -177.5 | 35.3 | 0 | 0 | 0 | 112.8 | Y83 W84 G89 | Y83-W87 WeakPolarHBondContact O-CB 3.44Å; Y83-W87 PolarHBondContact O-N 2.91Å; W84-W87 HydrophobicContact CE3-CE3 4.28Å; W84-W87 HydrophobicContact CE3-CZ3 4.48Å; W84-W87 HydrophobicContact CH2-CZ3 4.08Å; W84-W87 HydrophobicContact CZ3-CE3 4.26Å; W84-W87 HydrophobicContact CZ3-CZ3 4.04Å; W84-W87 PolarHBondContact O-N 2.72Å; W87-G89 PolarHBondContact O-N 3.16Å |
| 88 | T | 77.4 | Confident | 70.3 | Confident | 96 Ų | 96 | 120.2 Ų | 120.2 | 59% | 0.589 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 5.6 | 179.6 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | W84 K85 | W84-T88 HydrophobicContact CE3-CG2 4.06Å; W84-T88 HydrophobicContact CZ3-CG2 4.5Å; W84-T88 WeakPolarHBondContact O-CB 3Å; W84-T88 WeakPolarHBondContact O-CG2 3.5Å; W84-T88 PolarHBondContact O-N 3.35Å; W84-T88 PolarHBondContact O-OG1 3.38Å; K85-T88 PolarHBondContact O-OG1 3.39Å |
| 89 | G | 65.6 | Low | 69.9 | Low | 64 Ų | 64 | 119.5 Ų | 119.5 | 66% | 0.66 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.6 | 33.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | W87 | W87-G89 PolarHBondContact O-N 3.16Š|
| 90 | G | 63.8 | Low | 69.3 | Low | 26 Ų | 26 | 119.5 Ų | 119.5 | 27% | 0.268 | 67% | 0.665 | S | S | . | * | trans | -51.1 | 141.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | K85 G92 | K85-G90 PolarHBondContact O-N 3.06Å; G90-G92 PolarHBondContact O-N 3.28Å; G90-G92 VanDerWaalsContact O-N 3.11Å | ||
| 91 | P | 58.6 | Low | 68.4 | Low | 113 Ų | 113 | 121.2 Ų | 121.2 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | trans | -51.8 | 125.3 | -173.6 | 20.1 | -30.7 | 0 | 0 | 0 | 108.3 | T93 | P91-T93 PolarHBondContact O-N 3.27Š| ||
| 92 | G | 53.3 | Low | 67.6 | Low | 65 Ų | 65 | 121.4 Ų | 121.4 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | trans | -45.2 | 128.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | G90 E94 | G90-G92 PolarHBondContact O-N 3.28Å; G90-G92 VanDerWaalsContact O-N 3.11Å; G92-E94 VanDerWaalsContact C-N 3.27Å; G92-E94 PolarHBondContact O-N 3.49Å | ||
| 93 | T | 54.8 | Low | 66.6 | Low | 143 Ų | 143 | 122.5 Ų | 122.5 | 88% | 0.877 | 69% | 0.689 | S | S | * | * | trans | -50.1 | 102.7 | 165.2 | -50.1 | 0 | 0 | 0 | 0 | 106.2 | P91 | P91-T93 PolarHBondContact O-N 3.27Š| ||
| 94 | E | 51.8 | Low | 65.5 | Low | 174 Ų | 174 | 118.7 Ų | 118.7 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | trans | -55 | 143 | 162.3 | -75.4 | 178.5 | 150.6 | 0 | 0 | 107.3 | G92 | G92-E94 VanDerWaalsContact C-N 3.27Å; G92-E94 PolarHBondContact O-N 3.49Å | ||
| 95 | P | 47.1 | Very low | 64 | Low | 200 Ų | 200 | 115.7 Ų | 115.7 | 100% | 1.299 | 70% | 0.702 | S | S | * | * | trans | -57.7 | 0 | -165.5 | 23.6 | -35.3 | 0 | 0 | 0 | 114.9 |
Retrieved 95 of 95 residues in 51.3 ms
(Link to these results)