| 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 | 62 | Low | 69.2 | Low | 221 Ų | 221 | 105.2 Ų | 105.2 | 100% | 1.089 | 61% | 0.61 | S | S | * | * | 0 | -39.6 | 0 | -88.7 | 173.5 | 125.3 | 0 | 0 | 113.3 | A3 M4 | M1-A3 PolarHBondContact O-N 3.11Å; M1-M4 PolarHBondContact O-N 3.05Å | |||
| 2 | T | 68.9 | Low | 69 | Low | 121 Ų | 121 | 102.1 Ų | 102.1 | 74% | 0.742 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.9 | -29.5 | -177.7 | 49.1 | 0 | 0 | 0 | 0 | 115.9 | S5 F6 | T2-S5 PolarHBondContact O-OG 3.27Å; T2-F6 PolarHBondContact O-N 3.25Å |
| 3 | A | 69.1 | Low | 69.1 | Low | 66 Ų | 66 | 104.5 Ų | 104.5 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -69 | -37.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M1 F6 I7 | M1-A3 PolarHBondContact O-N 3.11Å; A3-F6 PolarHBondContact O-N 3.33Å; A3-I7 WeakPolarHBondContact O-CG1 3.45Å; A3-I7 PolarHBondContact O-N 3.36Å; A3-I7 VanDerWaalsContact O-N 3.1Å |
| 4 | M | 66.3 | Low | 69.2 | Low | 147 Ų | 147 | 105.3 Ų | 105.3 | 72% | 0.724 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -68.4 | -36.2 | -179.9 | -71.5 | -66.3 | -112.9 | 0 | 0 | 112 | M1 S8 | M1-M4 PolarHBondContact O-N 3.05Å; M4-S8 WeakPolarHBondContact O-CB 3.35Å; M4-S8 PolarHBondContact O-N 2.57Å |
| 5 | S | 69.9 | Low | 69.1 | Low | 76 Ų | 76 | 102.6 Ų | 102.6 | 53% | 0.531 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67 | -35.9 | 174.7 | 48.9 | 0 | 0 | 0 | 0 | 112.4 | T2 S8 A9 | T2-S5 PolarHBondContact O-OG 3.27Å; S5-S8 PolarHBondContact O-N 3.23Å; S5-A9 WeakPolarHBondContact O-CB 3.49Å; S5-A9 PolarHBondContact O-N 2.73Å |
| 6 | F | 71.2 | Confident | 69.5 | Low | 154 Ų | 154 | 105.7 Ų | 105.7 | 68% | 0.675 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -70.3 | -40.6 | 178.4 | -156.3 | -91.7 | 0 | 0 | 0 | 112.2 | T2 A3 A9 S10 | T2-F6 PolarHBondContact O-N 3.25Å; A3-F6 PolarHBondContact O-N 3.33Å; F6-A9 PolarHBondContact O-N 3.29Å; F6-S10 WeakPolarHBondContact O-CB 3.5Å; F6-S10 PolarHBondContact O-N 2.95Å; F6-S10 PolarHBondContact O-OG 3.37Å |
| 7 | I | 70.5 | Confident | 69.8 | Low | 101 Ų | 101 | 103.2 Ų | 103.2 | 52% | 0.518 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.3 | -45.6 | 174.3 | -64.3 | 166 | 0 | 0 | 0 | 110.2 | A3 A9 S10 V11 | A3-I7 WeakPolarHBondContact O-CG1 3.45Å; A3-I7 PolarHBondContact O-N 3.36Å; A3-I7 VanDerWaalsContact O-N 3.1Å; I7-A9 PolarHBondContact O-N 2.99Å; I7-S10 PolarHBondContact O-N 3.09Å; I7-V11 HydrophobicContact CG2-CG2 4.43Å; I7-V11 WeakPolarHBondContact O-CG2 3.38Å; I7-V11 PolarHBondContact O-N 3.43Å |
| 8 | S | 71.8 | Confident | 69.9 | Low | 72 Ų | 72 | 100.9 Ų | 100.9 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -59.7 | -47.2 | 177.3 | -172.1 | 0 | 0 | 0 | 0 | 112.3 | M4 S5 S10 V11 S12 | M4-S8 WeakPolarHBondContact O-CB 3.35Å; M4-S8 PolarHBondContact O-N 2.57Å; S5-S8 PolarHBondContact O-N 3.23Å; S8-S10 VanDerWaalsContact C-N 3.3Å; S8-S10 PolarHBondContact O-N 3.43Å; S8-V11 PolarHBondContact O-N 3.23Å; S8-S12 PolarHBondContact O-N 3.09Å; S8-S12 PolarHBondContact O-OG 2.91Å |
| 9 | A | 69.5 | Low | 70.3 | Confident | 61 Ų | 61 | 98.3 Ų | 98.3 | 50% | 0.504 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.4 | -38.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | S5 F6 I7 S12 F13 | S5-A9 WeakPolarHBondContact O-CB 3.49Å; S5-A9 PolarHBondContact O-N 2.73Å; F6-A9 PolarHBondContact O-N 3.29Å; I7-A9 PolarHBondContact O-N 2.99Å; A9-S12 PolarHBondContact O-N 3.46Å; A9-F13 WeakPolarHBondContact O-CB 3.33Å; A9-F13 PolarHBondContact O-N 2.85Å |
| 10 | S | 71.7 | Confident | 70.5 | Confident | 47 Ų | 47 | 96 Ų | 96 | 33% | 0.329 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 178.9 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | F6 I7 S8 F13 I14 | F6-S10 WeakPolarHBondContact O-CB 3.5Å; F6-S10 PolarHBondContact O-N 2.95Å; F6-S10 PolarHBondContact O-OG 3.37Å; I7-S10 PolarHBondContact O-N 3.09Å; S8-S10 VanDerWaalsContact C-N 3.3Å; S8-S10 PolarHBondContact O-N 3.43Å; S10-F13 PolarHBondContact O-N 3.4Å; S10-I14 VanDerWaalsContact O-CG1 3.25Å; S10-I14 WeakPolarHBondContact O-CG1 3.42Å; S10-I14 PolarHBondContact O-N 2.88Å |
| 11 | V | 70 | Confident | 70.7 | Confident | 91 Ų | 91 | 96.2 Ų | 96.2 | 55% | 0.552 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.4 | -41.9 | 176.4 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | I7 S8 F13 I14 S15 | I7-V11 HydrophobicContact CG2-CG2 4.43Å; I7-V11 WeakPolarHBondContact O-CG2 3.38Å; I7-V11 PolarHBondContact O-N 3.43Å; S8-V11 PolarHBondContact O-N 3.23Å; V11-F13 VanDerWaalsContact C-N 3.34Å; V11-F13 PolarHBondContact O-N 3.5Å; V11-I14 PolarHBondContact O-N 3.33Å; V11-S15 WeakPolarHBondContact O-CB 3.49Å; V11-S15 PolarHBondContact O-N 2.91Å; V11-S15 PolarHBondContact O-OG 3.49Å |
| 12 | S | 67.3 | Low | 71.3 | Confident | 68 Ų | 68 | 89.8 Ų | 89.8 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -37 | 175.1 | -64 | 0 | 0 | 0 | 0 | 112.8 | S8 A9 S15 Y16 | S8-S12 PolarHBondContact O-N 3.09Å; S8-S12 PolarHBondContact O-OG 2.91Å; A9-S12 PolarHBondContact O-N 3.46Å; S12-S15 WeakPolarHBondContact CA-OG 3.26Å; S12-S15 PolarHBondContact O-OG 3.38Å; S12-Y16 WeakPolarHBondContact O-CB 3.28Å; S12-Y16 PolarHBondContact O-N 3.11Å |
| 13 | F | 69.7 | Low | 71.6 | Confident | 134 Ų | 134 | 92.1 Ų | 92.1 | 59% | 0.588 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.5 | -40.3 | 177.1 | -170.4 | -103.5 | 0 | 0 | 0 | 112.1 | A9 S10 V11 Y16 N17 | A9-F13 WeakPolarHBondContact O-CB 3.33Å; A9-F13 PolarHBondContact O-N 2.85Å; S10-F13 PolarHBondContact O-N 3.4Å; V11-F13 VanDerWaalsContact C-N 3.34Å; V11-F13 PolarHBondContact O-N 3.5Å; F13-Y16 PolarHBondContact O-N 3.14Å; F13-N17 WeakPolarHBondContact CD1-ND2 3.44Å; F13-N17 WeakPolarHBondContact CE1-ND2 3.47Å; F13-N17 WeakPolarHBondContact CZ-ND2 3.45Å; F13-N17 PolarHBondContact O-N 3.12Å; F13-N17 PolarHBondContact O-ND2 2.92Å |
| 14 | I | 71.1 | Confident | 72 | Confident | 115 Ų | 115 | 95.1 Ų | 95.1 | 59% | 0.59 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.4 | -41 | 176.2 | -65.3 | 167.9 | 0 | 0 | 0 | 110.7 | S10 V11 N17 S18 | S10-I14 VanDerWaalsContact O-CG1 3.25Å; S10-I14 WeakPolarHBondContact O-CG1 3.42Å; S10-I14 PolarHBondContact O-N 2.88Å; V11-I14 PolarHBondContact O-N 3.33Å; I14-N17 PolarHBondContact O-N 3.16Å; I14-S18 WeakPolarHBondContact O-CB 3.27Å; I14-S18 PolarHBondContact O-N 3.45Å; I14-S18 PolarHBondContact O-OG 3.48Å |
| 15 | S | 68.2 | Low | 72.4 | Confident | 65 Ų | 65 | 92.5 Ų | 92.5 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69 | -34.7 | 177.7 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | V11 S12 S18 S19 | V11-S15 WeakPolarHBondContact O-CB 3.49Å; V11-S15 PolarHBondContact O-N 2.91Å; V11-S15 PolarHBondContact O-OG 3.49Å; S12-S15 WeakPolarHBondContact CA-OG 3.26Å; S12-S15 PolarHBondContact O-OG 3.38Å; S15-S18 PolarHBondContact O-OG 2.79Å; S15-S19 WeakPolarHBondContact O-CB 3.36Å; S15-S19 PolarHBondContact O-N 3.12Å |
| 16 | Y | 74.2 | Confident | 72.9 | Confident | 152 Ų | 152 | 92.8 Ų | 92.8 | 60% | 0.596 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.1 | -49.7 | 173.3 | -174.8 | -98.8 | 0 | 0 | 0 | 111.3 | S12 F13 S18 S19 V20 | S12-Y16 WeakPolarHBondContact O-CB 3.28Å; S12-Y16 PolarHBondContact O-N 3.11Å; F13-Y16 PolarHBondContact O-N 3.14Å; Y16-S18 VanDerWaalsContact C-N 3.34Å; Y16-S18 PolarHBondContact O-N 2.78Å; Y16-S19 WeakPolarHBondContact O-CB 3.46Å; Y16-S19 PolarHBondContact O-N 3.43Å; Y16-V20 HydrophobicContact CD1-CG2 4.1Å; Y16-V20 HydrophobicContact CE1-CG2 3.74Å; Y16-V20 HydrophobicContact CE2-CG2 4.43Å; Y16-V20 WeakPolarHBondContact O-CG2 2.91Å; Y16-V20 PolarHBondContact O-N 3.07Å |
| 17 | N | 75.1 | Confident | 73.2 | Confident | 63 Ų | 63 | 89.8 Ų | 89.8 | 34% | 0.337 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 179.2 | -76.7 | -26.3 | 0 | 0 | 0 | 112.4 | F13 I14 S19 V20 I21 | F13-N17 WeakPolarHBondContact CD1-ND2 3.44Å; F13-N17 WeakPolarHBondContact CE1-ND2 3.47Å; F13-N17 WeakPolarHBondContact CZ-ND2 3.45Å; F13-N17 PolarHBondContact O-N 3.12Å; F13-N17 PolarHBondContact O-ND2 2.92Å; I14-N17 PolarHBondContact O-N 3.16Å; N17-S19 VanDerWaalsContact C-N 3.34Å; N17-V20 PolarHBondContact O-N 2.74Å; N17-I21 WeakPolarHBondContact O-CB 3.46Å; N17-I21 WeakPolarHBondContact O-CD1 3.5Å; N17-I21 WeakPolarHBondContact O-CG1 3.4Å; N17-I21 PolarHBondContact O-N 3.45Å |
| 18 | S | 71.3 | Confident | 73.7 | Confident | 62 Ų | 62 | 88.4 Ų | 88.4 | 43% | 0.434 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -40.1 | 175.5 | 72.5 | 0 | 0 | 0 | 0 | 111.5 | I14 S15 Y16 I21 V22 | I14-S18 WeakPolarHBondContact O-CB 3.27Å; I14-S18 PolarHBondContact O-N 3.45Å; I14-S18 PolarHBondContact O-OG 3.48Å; S15-S18 PolarHBondContact O-OG 2.79Å; Y16-S18 VanDerWaalsContact C-N 3.34Å; Y16-S18 PolarHBondContact O-N 2.78Å; S18-I21 PolarHBondContact O-N 2.92Å; S18-V22 VanDerWaalsContact O-CG2 3.26Å; S18-V22 WeakPolarHBondContact O-CG2 3.14Å; S18-V22 PolarHBondContact O-N 2.81Å |
| 19 | S | 77.7 | Confident | 74.1 | Confident | 52 Ų | 52 | 90.5 Ų | 90.5 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 175 | -170.8 | 0 | 0 | 0 | 0 | 112.3 | S15 Y16 N17 V22 R23 | S15-S19 WeakPolarHBondContact O-CB 3.36Å; S15-S19 PolarHBondContact O-N 3.12Å; Y16-S19 WeakPolarHBondContact O-CB 3.46Å; Y16-S19 PolarHBondContact O-N 3.43Å; N17-S19 VanDerWaalsContact C-N 3.34Å; S19-V22 PolarHBondContact O-N 3Å; S19-R23 WeakPolarHBondContact O-CB 2.97Å; S19-R23 WeakPolarHBondContact O-CG 3.43Å; S19-R23 PolarHBondContact O-N 3.09Å |
| 20 | V | 75.5 | Confident | 74.7 | Confident | 51 Ų | 51 | 94.1 Ų | 94.1 | 31% | 0.309 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 177.2 | 174.5 | 0 | 0 | 0 | 0 | 111 | Y16 N17 V22 R23 M24 | Y16-V20 HydrophobicContact CD1-CG2 4.1Å; Y16-V20 HydrophobicContact CE1-CG2 3.74Å; Y16-V20 HydrophobicContact CE2-CG2 4.43Å; Y16-V20 WeakPolarHBondContact O-CG2 2.91Å; Y16-V20 PolarHBondContact O-N 3.07Å; N17-V20 PolarHBondContact O-N 2.74Å; V20-V22 PolarHBondContact O-N 3.24Å; V20-R23 PolarHBondContact O-N 2.68Å; V20-M24 HydrophobicContact CG1-CG 4.36Å; V20-M24 WeakPolarHBondContact O-CB 3.23Å; V20-M24 VanDerWaalsContact O-CG 3.31Å; V20-M24 WeakPolarHBondContact O-CG 3.24Å; V20-M24 PolarHBondContact O-N 3.04Å |
| 21 | I | 74.6 | Confident | 75.3 | Confident | 101 Ų | 101 | 100.5 Ų | 100.5 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 177.2 | -68.2 | 164.1 | 0 | 0 | 0 | 110.7 | N17 S18 M24 L25 | N17-I21 WeakPolarHBondContact O-CB 3.46Å; N17-I21 WeakPolarHBondContact O-CD1 3.5Å; N17-I21 WeakPolarHBondContact O-CG1 3.4Å; N17-I21 PolarHBondContact O-N 3.45Å; S18-I21 PolarHBondContact O-N 2.92Å; I21-M24 PolarHBondContact O-N 3.44Å; I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 HydrophobicContact CG2-CG 4.42Å; I21-L25 WeakPolarHBondContact O-CB 3.5Å; I21-L25 WeakPolarHBondContact O-CG 3.49Å; I21-L25 PolarHBondContact O-N 3.05Å |
| 22 | V | 74.4 | Confident | 76 | Confident | 87 Ų | 87 | 101.2 Ų | 101.2 | 53% | 0.527 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | S18 S19 V20 L25 T26 | S18-V22 VanDerWaalsContact O-CG2 3.26Å; S18-V22 WeakPolarHBondContact O-CG2 3.14Å; S18-V22 PolarHBondContact O-N 2.81Å; S19-V22 PolarHBondContact O-N 3Å; V20-V22 PolarHBondContact O-N 3.24Å; V22-L25 PolarHBondContact O-N 3.37Å; V22-T26 HydrophobicContact CG1-CG2 4.38Å; V22-T26 WeakPolarHBondContact O-CB 3.02Å; V22-T26 VanDerWaalsContact O-CG2 3.29Å; V22-T26 WeakPolarHBondContact O-CG2 2.95Å; V22-T26 PolarHBondContact O-N 2.91Å; V22-T26 PolarHBondContact O-OG1 3.4Å |
| 23 | R | 74.9 | Confident | 76.9 | Confident | 170 Ų | 170 | 103 Ų | 103 | 64% | 0.642 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -43.8 | 174.2 | -75.4 | 179.7 | 177.9 | -173.4 | -0.1 | 112 | S19 V20 T26 I27 | S19-R23 WeakPolarHBondContact O-CB 2.97Å; S19-R23 WeakPolarHBondContact O-CG 3.43Å; S19-R23 PolarHBondContact O-N 3.09Å; V20-R23 PolarHBondContact O-N 2.68Å; R23-T26 WeakPolarHBondContact CA-OG1 3.36Å; R23-T26 PolarHBondContact O-N 3.47Å; R23-T26 PolarHBondContact O-OG1 3.37Å; R23-I27 WeakPolarHBondContact O-CB 3.08Å; R23-I27 WeakPolarHBondContact O-CD1 3.48Å; R23-I27 WeakPolarHBondContact O-CG1 3.49Å; R23-I27 PolarHBondContact O-N 2.86Å |
| 24 | M | 76.5 | Confident | 77.7 | Confident | 128 Ų | 128 | 100.5 Ų | 100.5 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -43.7 | 176.5 | -73 | -66.7 | -154.3 | 0 | 0 | 111.9 | V20 I21 I27 S28 | V20-M24 HydrophobicContact CG1-CG 4.36Å; V20-M24 WeakPolarHBondContact O-CB 3.23Å; V20-M24 VanDerWaalsContact O-CG 3.31Å; V20-M24 WeakPolarHBondContact O-CG 3.24Å; V20-M24 PolarHBondContact O-N 3.04Å; I21-M24 PolarHBondContact O-N 3.44Å; M24-I27 PolarHBondContact O-N 2.97Å; M24-S28 WeakPolarHBondContact O-CB 3.42Å; M24-S28 PolarHBondContact O-N 3.1Å |
| 25 | L | 76.3 | Confident | 78.4 | Confident | 93 Ų | 93 | 99 Ų | 99 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 176.7 | -76.6 | 170.2 | 0 | 0 | 0 | 111.5 | I21 V22 S28 H29 | I21-L25 HydrophobicContact CG2-CD1 3.92Å; I21-L25 HydrophobicContact CG2-CG 4.42Å; I21-L25 WeakPolarHBondContact O-CB 3.5Å; I21-L25 WeakPolarHBondContact O-CG 3.49Å; I21-L25 PolarHBondContact O-N 3.05Å; V22-L25 PolarHBondContact O-N 3.37Å; L25-S28 PolarHBondContact O-N 3.1Å; L25-H29 PolarHBondContact O-N 2.66Å; L25-H29 PolarHBondContact O-ND1 3.44Å |
| 26 | T | 79.2 | Confident | 79.4 | Confident | 81 Ų | 81 | 100.5 Ų | 100.5 | 50% | 0.497 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | 179.1 | 48.4 | 0 | 0 | 0 | 0 | 112 | V22 R23 S28 H29 F30 | V22-T26 HydrophobicContact CG1-CG2 4.38Å; V22-T26 WeakPolarHBondContact O-CB 3.02Å; V22-T26 VanDerWaalsContact O-CG2 3.29Å; V22-T26 WeakPolarHBondContact O-CG2 2.95Å; V22-T26 PolarHBondContact O-N 2.91Å; V22-T26 PolarHBondContact O-OG1 3.4Å; R23-T26 WeakPolarHBondContact CA-OG1 3.36Å; R23-T26 PolarHBondContact O-N 3.47Å; R23-T26 PolarHBondContact O-OG1 3.37Å; T26-S28 VanDerWaalsContact C-N 3.33Å; T26-S28 PolarHBondContact O-N 3.34Å; T26-H29 PolarHBondContact O-N 3.48Å; T26-F30 VanDerWaalsContact O-CB 3.28Å; T26-F30 WeakPolarHBondContact O-CB 3.35Å; T26-F30 PolarHBondContact O-N 3.21Å |
| 27 | I | 76.9 | Confident | 79.9 | Confident | 92 Ų | 92 | 101 Ų | 101 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 174.4 | -67.8 | 165.1 | 0 | 0 | 0 | 110.8 | R23 M24 F30 R31 | R23-I27 WeakPolarHBondContact O-CB 3.08Å; R23-I27 WeakPolarHBondContact O-CD1 3.48Å; R23-I27 WeakPolarHBondContact O-CG1 3.49Å; R23-I27 PolarHBondContact O-N 2.86Å; M24-I27 PolarHBondContact O-N 2.97Å; I27-F30 PolarHBondContact O-N 3.17Å; I27-R31 WeakPolarHBondContact O-CG 3.37Å; I27-R31 PolarHBondContact O-N 2.89Å |
| 28 | S | 82.3 | Confident | 80.3 | Confident | 72 Ų | 72 | 100.8 Ų | 100.8 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 177.3 | -173.4 | 0 | 0 | 0 | 0 | 112.1 | M24 L25 T26 R31 L32 | M24-S28 WeakPolarHBondContact O-CB 3.42Å; M24-S28 PolarHBondContact O-N 3.1Å; L25-S28 PolarHBondContact O-N 3.1Å; T26-S28 VanDerWaalsContact C-N 3.33Å; T26-S28 PolarHBondContact O-N 3.34Å; S28-R31 PolarHBondContact O-N 3.28Å; S28-L32 WeakPolarHBondContact O-CB 3.37Å; S28-L32 PolarHBondContact O-N 3.37Å |
| 29 | H | 80.2 | Confident | 80.6 | Confident | 115 Ų | 115 | 102.6 Ų | 102.6 | 53% | 0.532 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 177.5 | -76.1 | 71.7 | 0 | 0 | 0 | 111.3 | L25 T26 R31 L32 I33 | L25-H29 PolarHBondContact O-N 2.66Å; L25-H29 PolarHBondContact O-ND1 3.44Å; T26-H29 PolarHBondContact O-N 3.48Å; H29-R31 PolarHBondContact O-N 2.66Å; H29-L32 PolarHBondContact O-N 3.28Å; H29-I33 VanDerWaalsContact O-CG1 3.29Å; H29-I33 WeakPolarHBondContact O-CG1 3.47Å; H29-I33 PolarHBondContact O-N 3.32Å |
| 30 | F | 82.6 | Confident | 80.6 | Confident | 138 Ų | 138 | 103.6 Ų | 103.6 | 61% | 0.605 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.9 | -43.5 | 176.5 | -171.2 | -96.7 | 0 | 0 | 0 | 111.6 | T26 I27 L32 I33 L34 | T26-F30 VanDerWaalsContact O-CB 3.28Å; T26-F30 WeakPolarHBondContact O-CB 3.35Å; T26-F30 PolarHBondContact O-N 3.21Å; I27-F30 PolarHBondContact O-N 3.17Å; F30-L32 VanDerWaalsContact C-N 3.33Å; F30-L32 PolarHBondContact O-N 3.44Å; F30-I33 PolarHBondContact O-N 2.83Å; F30-L34 HydrophobicContact CE1-CD1 4.13Å; F30-L34 WeakPolarHBondContact O-CB 3.49Å; F30-L34 PolarHBondContact O-N 2.94Å |
| 31 | R | 82.8 | Confident | 80.6 | Confident | 180 Ų | 180 | 105 Ų | 105 | 68% | 0.679 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.6 | -40.8 | 173.5 | -75.2 | -170.9 | 177.4 | -161.4 | 0.1 | 112.1 | I27 S28 H29 L34 V35 | I27-R31 WeakPolarHBondContact O-CG 3.37Å; I27-R31 PolarHBondContact O-N 2.89Å; S28-R31 PolarHBondContact O-N 3.28Å; H29-R31 PolarHBondContact O-N 2.66Å; R31-L34 PolarHBondContact O-N 3.03Å; R31-V35 VanDerWaalsContact O-CG2 3.29Å; R31-V35 WeakPolarHBondContact O-CG2 3.31Å; R31-V35 PolarHBondContact O-N 3.47Å |
| 32 | L | 86.3 | Confident | 80.2 | Confident | 106 Ų | 106 | 104.1 Ų | 104.1 | 56% | 0.555 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.5 | -43.6 | 178.2 | -171.3 | 132 | 0 | 0 | 0 | 111.9 | S28 H29 F30 L34 V35 L36 | S28-L32 WeakPolarHBondContact O-CB 3.37Å; S28-L32 PolarHBondContact O-N 3.37Å; H29-L32 PolarHBondContact O-N 3.28Å; F30-L32 VanDerWaalsContact C-N 3.33Å; F30-L32 PolarHBondContact O-N 3.44Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 2.85Å; L32-V35 PolarHBondContact O-N 3Å; L32-L36 HydrophobicContact CD2-CD1 3.71Å; L32-L36 HydrophobicContact CG-CD1 4.45Å; L32-L36 WeakPolarHBondContact O-CG 3.25Å; L32-L36 PolarHBondContact O-N 2.94Å |
| 33 | I | 85.5 | Confident | 79.5 | Confident | 107 Ų | 107 | 107.5 Ų | 107.5 | 55% | 0.549 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 174.4 | -67.6 | 164.6 | 0 | 0 | 0 | 110.6 | H29 F30 L36 W37 | H29-I33 VanDerWaalsContact O-CG1 3.29Å; H29-I33 WeakPolarHBondContact O-CG1 3.47Å; H29-I33 PolarHBondContact O-N 3.32Å; F30-I33 PolarHBondContact O-N 2.83Å; I33-L36 PolarHBondContact O-N 2.99Å; I33-W37 WeakPolarHBondContact O-CB 3.21Å; I33-W37 PolarHBondContact O-N 3.49Å |
| 34 | L | 87.1 | Confident | 78.6 | Confident | 80 Ų | 80 | 103.7 Ų | 103.7 | 42% | 0.419 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.3 | -41.6 | -179.9 | -167.6 | 139.6 | 0 | 0 | 0 | 112 | F30 R31 L32 W37 C38 | F30-L34 HydrophobicContact CE1-CD1 4.13Å; F30-L34 WeakPolarHBondContact O-CB 3.49Å; F30-L34 PolarHBondContact O-N 2.94Å; R31-L34 PolarHBondContact O-N 3.03Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 2.85Å; L34-W37 PolarHBondContact O-N 3.07Å; L34-C38 PolarHBondContact O-N 3.06Å; L34-C38 PolarHBondContact O-SG 2.92Å |
| 35 | V | 85.6 | Confident | 77.5 | Confident | 85 Ų | 85 | 108 Ų | 108 | 52% | 0.515 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 174.4 | 170.6 | 0 | 0 | 0 | 0 | 111.1 | R31 L32 W37 C38 L39 | R31-V35 VanDerWaalsContact O-CG2 3.29Å; R31-V35 WeakPolarHBondContact O-CG2 3.31Å; R31-V35 PolarHBondContact O-N 3.47Å; L32-V35 PolarHBondContact O-N 3Å; V35-W37 VanDerWaalsContact C-N 3.32Å; V35-W37 PolarHBondContact O-N 2.6Å; V35-C38 PolarHBondContact O-N 3.47Å; V35-L39 HydrophobicContact CG1-CD1 4.28Å; V35-L39 WeakPolarHBondContact O-CG 3.35Å; V35-L39 PolarHBondContact O-N 2.95Å |
| 36 | L | 87.5 | Confident | 76.3 | Confident | 96 Ų | 96 | 106.7 Ų | 106.7 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.1 | -40.9 | 176.4 | -72.6 | 171.2 | 0 | 0 | 0 | 111.7 | L32 I33 L39 S40 | L32-L36 HydrophobicContact CD2-CD1 3.71Å; L32-L36 HydrophobicContact CG-CD1 4.45Å; L32-L36 WeakPolarHBondContact O-CG 3.25Å; L32-L36 PolarHBondContact O-N 2.94Å; I33-L36 PolarHBondContact O-N 2.99Å; L36-L39 PolarHBondContact O-N 3.09Å; L36-S40 PolarHBondContact O-N 3Å; L36-S40 PolarHBondContact O-OG 3.44Å |
| 37 | W | 85.3 | Confident | 75.1 | Confident | 162 Ų | 162 | 108.6 Ų | 108.6 | 61% | 0.614 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64 | -41.8 | 177.2 | -172.4 | 52 | 0 | 0 | 0 | 112.3 | I33 L34 V35 L39 S40 L41 | I33-W37 WeakPolarHBondContact O-CB 3.21Å; I33-W37 PolarHBondContact O-N 3.49Å; L34-W37 PolarHBondContact O-N 3.07Å; V35-W37 VanDerWaalsContact C-N 3.32Å; V35-W37 PolarHBondContact O-N 2.6Å; W37-L39 VanDerWaalsContact C-N 3.32Å; W37-L39 PolarHBondContact O-N 2.74Å; W37-S40 PolarHBondContact O-N 3.16Å; W37-L41 HydrophobicContact CD2-CD1 3.88Å; W37-L41 HydrophobicContact CE3-CD1 4.26Å; W37-L41 HydrophobicContact CG-CD1 4.35Å; W37-L41 HydrophobicContact CH2-CD1 4.31Å; W37-L41 HydrophobicContact CZ2-CD1 3.93Å; W37-L41 HydrophobicContact CZ3-CD1 4.46Å; W37-L41 WeakPolarHBondContact O-CB 3.32Å; W37-L41 WeakPolarHBondContact O-CG 3.42Å; W37-L41 PolarHBondContact O-N 3.33Å |
| 38 | C | 84.7 | Confident | 73.9 | Confident | 58 Ų | 58 | 112.7 Ų | 112.7 | 39% | 0.392 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.8 | -37 | 174.1 | -69.4 | 0 | 0 | 0 | 0 | 112.7 | L34 V35 S42 | L34-C38 PolarHBondContact O-N 3.06Å; L34-C38 PolarHBondContact O-SG 2.92Å; V35-C38 PolarHBondContact O-N 3.47Å; C38-S42 WeakPolarHBondContact O-CB 3.38Å; C38-S42 PolarHBondContact O-N 3.33Å; C38-S42 PolarHBondContact O-OG 2.73Å |
| 39 | L | 77.3 | Confident | 72.6 | Confident | 100 Ų | 100 | 118.3 Ų | 118.3 | 52% | 0.524 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.3 | -45.4 | 175.3 | -70.8 | 171.2 | 0 | 0 | 0 | 111.2 | V35 L36 W37 L41 S42 E43 | V35-L39 HydrophobicContact CG1-CD1 4.28Å; V35-L39 WeakPolarHBondContact O-CG 3.35Å; V35-L39 PolarHBondContact O-N 2.95Å; L36-L39 PolarHBondContact O-N 3.09Å; W37-L39 VanDerWaalsContact C-N 3.32Å; W37-L39 PolarHBondContact O-N 2.74Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 3.12Å; L39-S42 WeakPolarHBondContact O-CB 3.29Å; L39-S42 PolarHBondContact O-N 3.09Å; L39-S42 VanDerWaalsContact O-N 3.08Å; L39-E43 PolarHBondContact O-N 3.19Å |
| 40 | S | 78.2 | Confident | 71.2 | Confident | 74 Ų | 74 | 117.6 Ų | 117.6 | 52% | 0.517 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -61.5 | -38.4 | 176.3 | -59.3 | 0 | 0 | 0 | 0 | 112.8 | L36 W37 S42 S44 | L36-S40 PolarHBondContact O-N 3Å; L36-S40 PolarHBondContact O-OG 3.44Å; W37-S40 PolarHBondContact O-N 3.16Å; S40-S42 VanDerWaalsContact C-N 3.33Å; S40-S44 PolarHBondContact O-N 2.69Å |
| 41 | L | 73.6 | Confident | 69.6 | Low | 80 Ų | 80 | 117.3 Ų | 117.3 | 42% | 0.419 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.8 | -30.5 | 174.2 | -74.6 | 168.4 | 0 | 0 | 0 | 112.9 | W37 L39 S44 R45 | W37-L41 HydrophobicContact CD2-CD1 3.88Å; W37-L41 HydrophobicContact CE3-CD1 4.26Å; W37-L41 HydrophobicContact CG-CD1 4.35Å; W37-L41 HydrophobicContact CH2-CD1 4.31Å; W37-L41 HydrophobicContact CZ2-CD1 3.93Å; W37-L41 HydrophobicContact CZ3-CD1 4.46Å; W37-L41 WeakPolarHBondContact O-CB 3.32Å; W37-L41 WeakPolarHBondContact O-CG 3.42Å; W37-L41 PolarHBondContact O-N 3.33Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 3.12Å; L41-S44 PolarHBondContact O-OG 3.05Å; L41-R45 PolarHBondContact O-N 3.17Å |
| 42 | S | 67.1 | Low | 67.8 | Low | 83 Ų | 83 | 116.5 Ų | 116.5 | 58% | 0.58 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74.1 | -39.5 | 177.5 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | C38 L39 S40 R45 | C38-S42 WeakPolarHBondContact O-CB 3.38Å; C38-S42 PolarHBondContact O-N 3.33Å; C38-S42 PolarHBondContact O-OG 2.73Å; L39-S42 WeakPolarHBondContact O-CB 3.29Å; L39-S42 PolarHBondContact O-N 3.09Å; L39-S42 VanDerWaalsContact O-N 3.08Å; S40-S42 VanDerWaalsContact C-N 3.33Å; S42-R45 PolarHBondContact O-N 2.99Å |
| 43 | E | 59.8 | Low | 66 | Low | 158 Ų | 158 | 119.5 Ų | 119.5 | 74% | 0.738 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.3 | -33 | 173.8 | -75.9 | -175.8 | 164.4 | 0 | 0 | 112.3 | L39 R45 A46 | L39-E43 PolarHBondContact O-N 3.19Å; E43-R45 PolarHBondContact O-N 2.87Å; E43-A46 WeakPolarHBondContact O-CB 3.4Å; E43-A46 PolarHBondContact O-N 2.91Å; E43-A46 VanDerWaalsContact O-N 3.11Å |
| 44 | S | 56.8 | Low | 63.9 | Low | 90 Ų | 90 | 123.5 Ų | 123.5 | 63% | 0.629 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -11.6 | 175.5 | 98.2 | 0 | 0 | 0 | 0 | 113.7 | S40 L41 | S40-S44 PolarHBondContact O-N 2.69Å; L41-S44 PolarHBondContact O-OG 3.05Å |
| 45 | R | 51.7 | Low | 61.9 | Low | 217 Ų | 217 | 126.4 Ų | 126.4 | 82% | 0.819 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 11.4 | 172.8 | -83 | -171.6 | 174.1 | 179.6 | -0.2 | 113.3 | L41 S42 E43 P47 | L41-R45 PolarHBondContact O-N 3.17Å; S42-R45 PolarHBondContact O-N 2.99Å; E43-R45 PolarHBondContact O-N 2.87Å; R45-P47 VanDerWaalsContact O-N 3.1Å |
| 46 | A | 52.6 | Low | 59.7 | Low | 66 Ų | 66 | 132.3 Ų | 132.3 | 55% | 0.545 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -52.6 | 121.7 | 162 | 0 | 0 | 0 | 0 | 0 | 107.7 | E43 E48 | E43-A46 WeakPolarHBondContact O-CB 3.4Å; E43-A46 PolarHBondContact O-N 2.91Å; E43-A46 VanDerWaalsContact O-N 3.11Å; A46-E48 PolarHBondContact O-N 3.24Å |
| 47 | P | 52.8 | Low | 57.6 | Low | 122 Ų | 122 | 130.9 Ų | 130.9 | 79% | 0.792 | 69% | 0.693 | S | S | * | * | trans | -57.8 | 117.3 | -170.5 | 21.8 | -31.7 | 0 | 0 | 0 | 107.9 | R45 K49 | R45-P47 VanDerWaalsContact O-N 3.1Å; P47-K49 PolarHBondContact O-N 2.92Å | ||
| 48 | E | 53.2 | Low | 55.4 | Low | 177 Ų | 177 | 132.1 Ų | 132.1 | 83% | 0.827 | 71% | 0.705 | S | S | * | * | trans | -45.8 | 111.3 | 167.6 | -82.8 | -173.1 | 147.8 | 0 | 0 | 106.5 | A46 S50 | A46-E48 PolarHBondContact O-N 3.24Å; E48-S50 PolarHBondContact O-N 3.07Å | ||
| 49 | K | 53.7 | Low | 53.8 | Low | 190 Ų | 190 | 138.8 Ų | 138.8 | 83% | 0.826 | 73% | 0.728 | S | S | * | * | trans | -57.9 | 95.6 | 168.9 | -73.7 | -178.8 | -179.1 | 179.8 | 0 | 106.2 | P47 I51 | P47-K49 PolarHBondContact O-N 2.92Å; K49-I51 PolarHBondContact O-N 3.18Å | ||
| 50 | S | 50.2 | Low | 52.3 | Low | 100 Ų | 100 | 138.6 Ų | 138.6 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | trans | 7.5 | 81.5 | 159 | 62.1 | 0 | 0 | 0 | 0 | 113.1 | E48 L52 | E48-S50 PolarHBondContact O-N 3.07Å; S50-L52 PolarHBondContact O-N 3.45Å | ||
| 51 | I | 49 | Very low | 50.7 | Low | 133 Ų | 133 | 142.5 Ų | 142.5 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | trans | -77.7 | 68.2 | 162.9 | -57 | 174.4 | 0 | 0 | 0 | 105.8 | K49 K53 | K49-I51 PolarHBondContact O-N 3.18Å; I51-K53 HydrophobicContact CG2-CB 4.32Å; I51-K53 HydrophobicContact CG2-CD 4.33Å; I51-K53 HydrophobicContact CG2-CG 4.3Å; I51-K53 PolarHBondContact O-N 3.39Å | ||
| 52 | L | 46.5 | Very low | 49.8 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | trans | -78.6 | 77.6 | 162.9 | -107.7 | 154.5 | 0 | 0 | 0 | 106.9 | S50 K54 | S50-L52 PolarHBondContact O-N 3.45Å; L52-K54 PolarHBondContact O-N 3.45Å | ||
| 53 | K | 49 | Very low | 48.9 | Very low | 169 Ų | 169 | 154.4 Ų | 154.4 | 74% | 0.735 | 78% | 0.781 | S | S | * | * | trans | -69.2 | 116.9 | 167.5 | -120.4 | 174.9 | 179.9 | 174.3 | 0 | 107.9 | I51 | I51-K53 HydrophobicContact CG2-CB 4.32Å; I51-K53 HydrophobicContact CG2-CD 4.33Å; I51-K53 HydrophobicContact CG2-CG 4.3Å; I51-K53 PolarHBondContact O-N 3.39Å | ||
| 54 | K | 41 | Very low | 48.8 | Very low | 191 Ų | 191 | 152.4 Ų | 152.4 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | trans | 55.4 | 94 | 146.6 | -70 | 178.2 | 169.1 | -177 | 0 | 117.7 | L52 | L52-K54 PolarHBondContact O-N 3.45Š| ||
| 55 | T | 45.4 | Very low | 48.9 | Very low | 141 Ų | 141 | 153 Ų | 153 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | -128.7 | 110.1 | 127.4 | 31.5 | 0 | 0 | 0 | 0 | 107.9 | G57 | T55-G57 PolarHBondContact O-N 3.43Å; T55-G57 VanDerWaalsContact O-N 3.1Å | |||
| 56 | Q | 38.8 | Very low | 49.2 | Very low | 208 Ų | 208 | 151.8 Ų | 151.8 | 97% | 0.972 | 79% | 0.785 | S | S | * | * | trans | -67.4 | 98.5 | 178.9 | -168.9 | 176.3 | 5.6 | 0 | 0 | 108.1 | ||||
| 57 | G | 42.3 | Very low | 49.7 | Very low | 67 Ų | 67 | 153 Ų | 153 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | -143.4 | 86.4 | 178 | 0 | 0 | 0 | 0 | 0 | 108.4 | T55 K59 | T55-G57 PolarHBondContact O-N 3.43Å; T55-G57 VanDerWaalsContact O-N 3.1Å; G57-K59 PolarHBondContact O-N 3.23Å | ||
| 58 | E | 39.5 | Very low | 50.5 | Low | 187 Ų | 187 | 153 Ų | 153 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -12.5 | 108.5 | 158.6 | -172.6 | 178.4 | -174.8 | 0 | 0 | 114.8 | ||||
| 59 | K | 51.7 | Low | 51.2 | Low | 198 Ų | 198 | 151.3 Ų | 151.3 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -175 | 114.7 | 150.4 | -100.3 | 152.5 | -168.2 | -174.6 | 0 | 113.2 | G57 | G57-K59 PolarHBondContact O-N 3.23Š| ||
| 60 | S | 45.9 | Very low | 51.8 | Low | 97 Ų | 97 | 146.7 Ų | 146.7 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | 22.3 | 108.1 | 161.5 | 69.5 | 0 | 0 | 0 | 0 | 120.1 | K62 | S60-K62 VanDerWaalsContact C-N 3.32Å; S60-K62 PolarHBondContact O-N 3.33Å | ||
| 61 | D | 43.9 | Very low | 52.3 | Low | 156 Ų | 156 | 153.6 Ų | 153.6 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -62.9 | 90.3 | 151.9 | -105.5 | -36 | 0 | 0 | 0 | 109.5 | ||||
| 62 | K | 55.7 | Low | 53.1 | Low | 181 Ų | 181 | 153.2 Ų | 153.2 | 79% | 0.787 | 78% | 0.781 | S | S | * | * | trans | -111.7 | 87.8 | 155 | -77.8 | -173.7 | 179.7 | -179.5 | 0 | 106.9 | S60 V64 | S60-K62 VanDerWaalsContact C-N 3.32Å; S60-K62 PolarHBondContact O-N 3.33Å; K62-V64 PolarHBondContact O-N 3.46Å | ||
| 63 | R | 48.7 | Very low | 54.2 | Low | 231 Ų | 231 | 148.2 Ų | 148.2 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -63.2 | 103.4 | 164.1 | -75.1 | -175.5 | 179.2 | -163.4 | -1.8 | 107.6 | S65 | R63-S65 PolarHBondContact O-N 2.93Å; R63-S65 VanDerWaalsContact O-N 3.09Å | ||
| 64 | V | 55.8 | Low | 55.4 | Low | 117 Ų | 117 | 148 Ų | 148 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | -70.3 | 100.9 | 170.3 | 179.7 | 0 | 0 | 0 | 0 | 106.6 | K62 F66 | K62-V64 PolarHBondContact O-N 3.46Å; V64-F66 PolarHBondContact O-N 2.82Å | ||
| 65 | S | 59 | Low | 56.8 | Low | 103 Ų | 103 | 144.1 Ų | 144.1 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | -66.4 | 117.7 | 166 | 54.3 | 0 | 0 | 0 | 0 | 107.8 | R63 D67 | R63-S65 PolarHBondContact O-N 2.93Å; R63-S65 VanDerWaalsContact O-N 3.09Å; S65-D67 PolarHBondContact O-N 3.29Å | ||
| 66 | F | 59.6 | Low | 58.2 | Low | 191 Ų | 191 | 140.4 Ų | 140.4 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | -67.8 | 110.8 | 165.8 | -83.5 | -88.7 | 0 | 0 | 0 | 107.8 | V64 P68 | V64-F66 PolarHBondContact O-N 2.82Å; F66-P68 WeakPolarHBondContact O-CD 3.14Å | ||
| 67 | D | 62.1 | Low | 59.5 | Low | 92 Ų | 92 | 134.5 Ų | 134.5 | 49% | 0.492 | 73% | 0.727 | S | S | . | * | trans | -80.8 | 115.2 | 173 | -171.7 | -1 | 0 | 0 | 0 | 107.7 | S65 D69 V70 | S65-D67 PolarHBondContact O-N 3.29Å; D67-D69 PolarHBondContact O-N 3.07Å; D67-V70 HydrophobicContact CB-CG2 3.84Å; D67-V70 WeakPolarHBondContact O-CB 3.33Å; D67-V70 PolarHBondContact O-N 3.35Å | ||
| 68 | P | 69.3 | Low | 60.8 | Low | 122 Ų | 122 | 139.3 Ų | 139.3 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -12.8 | -175.7 | 26.3 | -35 | 0 | 0 | 0 | 113.5 | F66 | F66-P68 WeakPolarHBondContact O-CD 3.14Š|
| 69 | D | 67.8 | Low | 62 | Low | 140 Ų | 140 | 135.4 Ų | 135.4 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -4.9 | 176.9 | -70.2 | -26.3 | 0 | 0 | 0 | 113.5 | D67 R71 | D67-D69 PolarHBondContact O-N 3.07Å; D69-R71 PolarHBondContact O-N 3.46Å; D69-R71 VanDerWaalsContact O-N 3.12Å |
| 70 | V | 67.3 | Low | 62.6 | Low | 93 Ų | 93 | 129.3 Ų | 129.3 | 56% | 0.564 | 69% | 0.689 | S | S | * | * | trans | -74.4 | 106 | 174.7 | 175.9 | 0 | 0 | 0 | 0 | 109.5 | D67 V72 | D67-V70 HydrophobicContact CB-CG2 3.84Å; D67-V70 WeakPolarHBondContact O-CB 3.33Å; D67-V70 PolarHBondContact O-N 3.35Å; V70-V72 HydrophobicContact CG1-CG2 4.49Å; V70-V72 PolarHBondContact O-N 3.11Å | ||
| 71 | R | 60.1 | Low | 63.4 | Low | 245 Ų | 245 | 126.3 Ų | 126.3 | 93% | 0.925 | 67% | 0.67 | S | S | * | * | trans | -66.9 | 99.5 | 169.5 | -65.3 | -174.6 | -177 | -146.6 | 0.3 | 109.4 | D69 G73 | D69-R71 PolarHBondContact O-N 3.46Å; D69-R71 VanDerWaalsContact O-N 3.12Å; R71-G73 PolarHBondContact O-N 3.3Å | ||
| 72 | V | 67 | Low | 64.3 | Low | 125 Ų | 125 | 125.6 Ų | 125.6 | 76% | 0.758 | 67% | 0.667 | S | S | * | * | trans | -73.4 | 114.1 | 167.3 | -172.8 | 0 | 0 | 0 | 0 | 107.5 | V70 | V70-V72 HydrophobicContact CG1-CG2 4.49Å; V70-V72 PolarHBondContact O-N 3.11Å | ||
| 73 | G | 68.9 | Low | 64.6 | Low | 58 Ų | 58 | 123.6 Ų | 123.6 | 60% | 0.598 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 141.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | R71 I75 | R71-G73 PolarHBondContact O-N 3.3Å; G73-I75 PolarHBondContact O-N 3.22Å |
| 74 | I | 74 | Confident | 65.2 | Low | 166 Ų | 166 | 120.1 Ų | 120.1 | 85% | 0.851 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 116.5 | 172.6 | -61.5 | 167.9 | 0 | 0 | 0 | 107.2 | P76 | I74-P76 WeakPolarHBondContact O-CD 3.2Š|
| 75 | I | 71 | Confident | 65.3 | Low | 108 Ų | 108 | 121.6 Ų | 121.6 | 55% | 0.554 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 123 | 172.8 | -58.6 | 172.6 | 0 | 0 | 0 | 107.2 | G73 A77 E79 V80 | G73-I75 PolarHBondContact O-N 3.22Å; I75-A77 PolarHBondContact O-N 3.04Å; I75-E79 HydrophobicContact CG2-CB 3.78Å; I75-V80 HydrophobicContact CB-CG2 4.21Å; I75-V80 HydrophobicContact CG2-CG2 3.7Å |
| 76 | P | 73.9 | Confident | 65.2 | Low | 63 Ų | 63 | 122 Ų | 122 | 41% | 0.409 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 137.5 | 176.4 | -22.8 | 32 | 0 | 0 | 0 | 110.8 | I74 K78 E79 V80 | I74-P76 WeakPolarHBondContact O-CD 3.2Å; P76-K78 PolarHBondContact O-N 2.67Å; P76-E79 HydrophobicContact CB-CG 4.47Å; P76-E79 WeakPolarHBondContact CD-OE2 3.36Å; P76-E79 HydrophobicContact CG-CG 4.45Å; P76-E79 PolarHBondContact O-N 3.08Å; P76-V80 PolarHBondContact O-N 2.77Å |
| 77 | A | 67.3 | Low | 65 | Low | 85 Ų | 85 | 117.6 Ų | 117.6 | 70% | 0.702 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -53.3 | -28.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I75 V80 A81 | I75-A77 PolarHBondContact O-N 3.04Å; A77-V80 PolarHBondContact O-N 2.76Å; A77-A81 WeakPolarHBondContact O-CB 3.34Å; A77-A81 PolarHBondContact O-N 2.84Å |
| 78 | K | 69.7 | Low | 64.6 | Low | 168 Ų | 168 | 120.5 Ų | 120.5 | 73% | 0.73 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -60.7 | -42.9 | 173.7 | -66.5 | -173.3 | 176.6 | -175 | 0 | 112.7 | P76 A81 D82 | P76-K78 PolarHBondContact O-N 2.67Å; K78-A81 PolarHBondContact O-N 2.82Å; K78-D82 PolarHBondContact O-N 3.11Å; K78-D82 VanDerWaalsContact O-N 3.12Å |
| 79 | E | 64.6 | Low | 63.8 | Low | 104 Ų | 104 | 116.6 Ų | 116.6 | 49% | 0.486 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -73 | -29.4 | -179.7 | -68.1 | 178.3 | -173.6 | 0 | 0 | 112.3 | I75 P76 Q83 | I75-E79 HydrophobicContact CG2-CB 3.78Å; P76-E79 HydrophobicContact CB-CG 4.47Å; P76-E79 WeakPolarHBondContact CD-OE2 3.36Å; P76-E79 HydrophobicContact CG-CG 4.45Å; P76-E79 PolarHBondContact O-N 3.08Å; E79-Q83 PolarHBondContact O-N 2.95Å |
| 80 | V | 63.9 | Low | 63.3 | Low | 71 Ų | 71 | 116.9 Ų | 116.9 | 43% | 0.43 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.7 | -44 | 174.9 | -177.1 | 0 | 0 | 0 | 0 | 111 | I75 P76 A77 D82 Q83 F84 | I75-V80 HydrophobicContact CB-CG2 4.21Å; I75-V80 HydrophobicContact CG2-CG2 3.7Å; P76-V80 PolarHBondContact O-N 2.77Å; A77-V80 PolarHBondContact O-N 2.76Å; V80-D82 VanDerWaalsContact C-N 3.34Å; V80-D82 PolarHBondContact O-N 3.11Å; V80-Q83 PolarHBondContact O-N 2.81Å; V80-F84 PolarHBondContact O-N 3.26Å; V80-F84 VanDerWaalsContact O-N 3.16Å |
| 81 | A | 61.2 | Low | 62.5 | Low | 33 Ų | 33 | 120.6 Ų | 120.6 | 27% | 0.273 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63 | -37.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | A77 K78 E85 V87 | A77-A81 WeakPolarHBondContact O-CB 3.34Å; A77-A81 PolarHBondContact O-N 2.84Å; K78-A81 PolarHBondContact O-N 2.82Å; A81-E85 VanDerWaalsContact O-O 3.14Å; A81-V87 HydrophobicContact CB-CG2 3.35Å |
| 82 | D | 64 | Low | 61.9 | Low | 142 Ų | 142 | 115.7 Ų | 115.7 | 76% | 0.759 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -77.7 | -20.1 | -177 | -69.7 | -20 | 0 | 0 | 0 | 113.3 | K78 V80 | K78-D82 PolarHBondContact O-N 3.11Å; K78-D82 VanDerWaalsContact O-N 3.12Å; V80-D82 VanDerWaalsContact C-N 3.34Å; V80-D82 PolarHBondContact O-N 3.11Å |
| 83 | Q | 62.1 | Low | 61 | Low | 138 Ų | 138 | 114.6 Ų | 114.6 | 65% | 0.645 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -112.1 | -31.1 | -171.3 | -71 | -175.3 | 6.7 | 0 | 0 | 115.8 | E79 V80 | E79-Q83 PolarHBondContact O-N 2.95Å; V80-Q83 PolarHBondContact O-N 2.81Å |
| 84 | F | 59.9 | Low | 60 | Low | 158 Ų | 158 | 120.7 Ų | 120.7 | 69% | 0.693 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.1 | -24 | -162.9 | -68.4 | -75 | 0 | 0 | 0 | 116.4 | V80 | V80-F84 PolarHBondContact O-N 3.26Å; V80-F84 VanDerWaalsContact O-N 3.16Å |
| 85 | E | 58.7 | Low | 58.5 | Low | 149 Ų | 149 | 124.6 Ų | 124.6 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | trans | -149.9 | 134 | 177.6 | -68 | -174.5 | 162.8 | 0 | 0 | 110.7 | A81 V87 | A81-E85 VanDerWaalsContact O-O 3.14Å; E85-V87 PolarHBondContact O-N 2.76Å; E85-V87 VanDerWaalsContact O-N 3.12Å | ||
| 86 | P | 57.5 | Low | 57.7 | Low | 112 Ų | 112 | 122.9 Ų | 122.9 | 73% | 0.727 | 64% | 0.642 | S | S | * | * | trans | -59.7 | 121.3 | 166.9 | 26.2 | -31.3 | 0 | 0 | 0 | 107.8 | I88 | P86-I88 VanDerWaalsContact C-N 3.31Å; P86-I88 PolarHBondContact O-N 3.33Å | ||
| 87 | V | 54.2 | Low | 56.7 | Low | 97 Ų | 97 | 124.3 Ų | 124.3 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | trans | -61.6 | 95.5 | 174 | 174.7 | 0 | 0 | 0 | 0 | 108 | A81 E85 S89 | A81-V87 HydrophobicContact CB-CG2 3.35Å; E85-V87 PolarHBondContact O-N 2.76Å; E85-V87 VanDerWaalsContact O-N 3.12Å; V87-S89 PolarHBondContact O-N 3.44Å | ||
| 88 | I | 54.6 | Low | 56.1 | Low | 153 Ų | 153 | 128.4 Ų | 128.4 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | trans | -78.1 | 71.4 | 163.8 | -52.9 | 176.2 | 0 | 0 | 0 | 106.1 | P86 I90 | P86-I88 VanDerWaalsContact C-N 3.31Å; P86-I88 PolarHBondContact O-N 3.33Å; I88-I90 PolarHBondContact O-N 3.08Å | ||
| 89 | S | 52.7 | Low | 55.5 | Low | 40 Ų | 40 | 128.3 Ų | 128.3 | 28% | 0.28 | 66% | 0.66 | S | S | . | * | trans | -79.4 | 111.4 | 169.2 | 169.9 | 0 | 0 | 0 | 0 | 107.6 | V87 F91 | V87-S89 PolarHBondContact O-N 3.44Å; S89-F91 PolarHBondContact O-N 2.96Å; S89-F91 VanDerWaalsContact O-N 3.14Å; S89-F91 WeakPolarHBondContact OG-CA 3.39Å; S89-F91 VanDerWaalsContact OG-CB 3.28Å; S89-F91 WeakPolarHBondContact OG-CB 3.39Å; S89-F91 PolarHBondContact OG-N 3.02Å | ||
| 90 | I | 56.3 | Low | 55.2 | Low | 146 Ų | 146 | 128.4 Ų | 128.4 | 75% | 0.749 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -69.4 | -0.2 | 166.2 | -45.8 | 174.6 | 0 | 0 | 0 | 110 | I88 | I88-I90 PolarHBondContact O-N 3.08Š|
| 91 | F | 50.7 | Low | 55 | Low | 172 Ų | 172 | 130 Ų | 130 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -87.3 | -0.9 | -179.6 | -71.9 | -86.2 | 0 | 0 | 0 | 115.1 | S89 V93 | S89-F91 PolarHBondContact O-N 2.96Å; S89-F91 VanDerWaalsContact O-N 3.14Å; S89-F91 WeakPolarHBondContact OG-CA 3.39Å; S89-F91 VanDerWaalsContact OG-CB 3.28Å; S89-F91 WeakPolarHBondContact OG-CB 3.39Å; S89-F91 PolarHBondContact OG-N 3.02Å; F91-V93 VanDerWaalsContact C-N 3.28Å; F91-V93 PolarHBondContact O-N 3.39Å |
| 92 | D | 47 | Very low | 54.8 | Low | 142 Ų | 142 | 132.9 Ų | 132.9 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -86.4 | 4.2 | 174.4 | -72.3 | -13 | 0 | 0 | 0 | 113.7 | E94 | D92-E94 PolarHBondContact O-N 2.97Š|
| 93 | V | 48.5 | Very low | 54.2 | Low | 102 Ų | 102 | 133.9 Ų | 133.9 | 62% | 0.618 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -86.4 | 101.9 | 163.9 | -174.6 | 0 | 0 | 0 | 0 | 107.5 | F91 R95 | F91-V93 VanDerWaalsContact C-N 3.28Å; F91-V93 PolarHBondContact O-N 3.39Å; V93-R95 PolarHBondContact O-N 2.83Å |
| 94 | E | 49.2 | Very low | 53.6 | Low | 185 Ų | 185 | 133.9 Ų | 133.9 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -17.3 | 97.3 | 169.8 | -72.9 | -175.6 | 141.5 | 0 | 0 | 113.4 | D92 A96 | D92-E94 PolarHBondContact O-N 2.97Å; E94-A96 VanDerWaalsContact C-N 3.25Å; E94-A96 PolarHBondContact O-N 3.04Å |
| 95 | R | 42.8 | Very low | 53.1 | Low | 248 Ų | 248 | 135.1 Ų | 135.1 | 94% | 0.936 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 35.8 | 51.2 | 161.2 | -72.9 | 179.9 | 168.6 | -178.3 | -2.7 | 114.7 | V93 P97 | V93-R95 PolarHBondContact O-N 2.83Å; R95-P97 VanDerWaalsContact O-CD 3.26Å; R95-P97 WeakPolarHBondContact O-CD 3.27Å |
| 96 | A | 52.3 | Low | 52.7 | Low | 73 Ų | 73 | 136 Ų | 136 | 60% | 0.603 | 72% | 0.718 | S | S | * | * | trans | -85.8 | 109.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | E94 L98 | E94-A96 VanDerWaalsContact C-N 3.25Å; E94-A96 PolarHBondContact O-N 3.04Å; A96-L98 PolarHBondContact O-N 3.43Å | ||
| 97 | P | 52.9 | Low | 52.5 | Low | 93 Ų | 93 | 135.9 Ų | 135.9 | 60% | 0.604 | 72% | 0.717 | S | S | * | * | trans | -54.5 | 145.9 | 172 | 23.2 | -31.3 | 0 | 0 | 0 | 108.4 | R95 K99 | R95-P97 VanDerWaalsContact O-CD 3.26Å; R95-P97 WeakPolarHBondContact O-CD 3.27Å; P97-K99 HydrophobicContact CB-CB 4.36Å; P97-K99 HydrophobicContact CG-CB 4.36Å; P97-K99 PolarHBondContact O-N 2.86Å | ||
| 98 | L | 54.7 | Low | 52.5 | Low | 171 Ų | 171 | 136.8 Ų | 136.8 | 90% | 0.895 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -63.1 | 36.3 | 168.5 | -73.1 | 159.9 | 0 | 0 | 0 | 112 | A96 | A96-L98 PolarHBondContact O-N 3.43Š|
| 99 | K | 57 | Low | 52.4 | Low | 165 Ų | 165 | 135.3 Ų | 135.3 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | trans | -88.9 | 115.8 | 171.2 | -135.7 | 175 | -172.3 | 176.8 | 0 | 105.7 | P97 | P97-K99 HydrophobicContact CB-CB 4.36Å; P97-K99 HydrophobicContact CG-CB 4.36Å; P97-K99 PolarHBondContact O-N 2.86Å | ||
| 100 | P | 59.6 | Low | 52.2 | Low | 106 Ų | 106 | 141 Ų | 141 | 69% | 0.688 | 75% | 0.747 | S | S | * | * | trans | -53.4 | 141.1 | 166.5 | 23.5 | -31.1 | 0 | 0 | 0 | 107.7 | A102 | P100-A102 PolarHBondContact O-N 2.77Š| ||
| 101 | P | 58.5 | Low | 51.7 | Low | 104 Ų | 104 | 140.2 Ų | 140.2 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | trans | -54.4 | 113.2 | 177 | 20.8 | -30.6 | 0 | 0 | 0 | 108.6 | E103 | P101-E103 PolarHBondContact O-N 3.36Š| ||
| 102 | A | 57.8 | Low | 51.3 | Low | 94 Ų | 94 | 135.9 Ų | 135.9 | 78% | 0.777 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -59.5 | 128 | 159.7 | 0 | 0 | 0 | 0 | 0 | 105.6 | P100 | P100-A102 PolarHBondContact O-N 2.77Š|
| 103 | E | 50.7 | Low | 51 | Low | 163 Ų | 163 | 137.7 Ų | 137.7 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | 84.1 | 61.2 | -175.2 | -49.5 | -179.2 | 174.4 | 0 | 0 | 116.4 | P101 K105 | P101-E103 PolarHBondContact O-N 3.36Å; E103-K105 VanDerWaalsContact C-N 3.34Å; E103-K105 PolarHBondContact O-N 3.22Å | ||
| 104 | I | 51.2 | Low | 50.6 | Low | 139 Ų | 139 | 139.9 Ų | 139.9 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | -71.8 | 104.9 | 135.7 | -61.3 | 175.7 | 0 | 0 | 0 | 105.1 | Q106 | I104-Q106 PolarHBondContact O-N 3.36Š| ||
| 105 | K | 49.2 | Very low | 50.1 | Low | 184 Ų | 184 | 141.8 Ų | 141.8 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | trans | -60.4 | 83.6 | 168.1 | -68.6 | -179.1 | -179.3 | 178.3 | 0 | 107.9 | E103 | E103-K105 VanDerWaalsContact C-N 3.34Å; E103-K105 PolarHBondContact O-N 3.22Å | ||
| 106 | Q | 49.4 | Very low | 50 | Low | 168 Ų | 168 | 135.6 Ų | 135.6 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 134.3 | 162.2 | -83 | -179.7 | -16.9 | 0 | 0 | 106.7 | I104 | I104-Q106 PolarHBondContact O-N 3.36Š|
| 107 | P | 52.7 | Low | 49.2 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 140.6 | 173.4 | 22.5 | -31.8 | 0 | 0 | 0 | 108.4 | P109 | P107-P109 WeakPolarHBondContact O-CD 3.48Å; P107-P109 VanDerWaalsContact O-N 3.07Å |
| 108 | P | 54.7 | Low | 48.8 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 124 | 179.9 | 21.2 | -31.4 | 0 | 0 | 0 | 107.9 | Q110 | P108-Q110 PolarHBondContact O-N 3.13Š|
| 109 | P | 51.9 | Low | 48.2 | Very low | 121 Ų | 121 | 140 Ų | 140 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 123.1 | 175.8 | 21.1 | -29.5 | 0 | 0 | 0 | 106.5 | P107 | P107-P109 WeakPolarHBondContact O-CD 3.48Å; P107-P109 VanDerWaalsContact O-N 3.07Å |
| 110 | Q | 48.5 | Very low | 47.4 | Very low | 160 Ų | 160 | 137 Ų | 137 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 140.5 | 169.4 | -70.7 | -179.6 | -1.3 | 0 | 0 | 107.4 | P108 V112 | P108-Q110 PolarHBondContact O-N 3.13Å; Q110-V112 HydrophobicContact CB-CG2 4.26Å; Q110-V112 PolarHBondContact O-N 2.96Å |
| 111 | P | 46.3 | Very low | 46.5 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 84% | 0.844 | 73% | 0.733 | S | S | * | * | trans | -69.6 | 71.9 | 173.2 | 30.4 | -33.4 | 0 | 0 | 0 | 107.8 | L113 | P111-L113 PolarHBondContact O-N 2.73Š| ||
| 112 | V | 43.6 | Very low | 45.8 | Very low | 80 Ų | 80 | 135 Ų | 135 | 49% | 0.485 | 72% | 0.724 | S | S | . | * | trans | -70.4 | 123.3 | 162.2 | -167.8 | 0 | 0 | 0 | 0 | 104.1 | Q110 H114 | Q110-V112 HydrophobicContact CB-CG2 4.26Å; Q110-V112 PolarHBondContact O-N 2.96Å; V112-H114 WeakPolarHBondContact CB-CD2 3.29Å; V112-H114 WeakPolarHBondContact CG1-CD2 3.42Å; V112-H114 WeakPolarHBondContact CG1-NE2 3.19Å; V112-H114 PolarHBondContact O-N 3.21Å | ||
| 113 | L | 40.6 | Very low | 44.9 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 94% | 0.942 | 73% | 0.725 | S | S | * | * | trans | -62.2 | 66 | 174.6 | -135.8 | 96.3 | 0 | 0 | 0 | 108.8 | P111 R115 | P111-L113 PolarHBondContact O-N 2.73Å; L113-R115 PolarHBondContact O-N 3.47Å | ||
| 114 | H | 38.2 | Very low | 44.5 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 69% | 0.69 | 72% | 0.722 | S | S | * | * | trans | -94 | 105.8 | -177.1 | -84.1 | -47.8 | 0 | 0 | 0 | 108.6 | V112 | V112-H114 WeakPolarHBondContact CB-CD2 3.29Å; V112-H114 WeakPolarHBondContact CG1-CD2 3.42Å; V112-H114 WeakPolarHBondContact CG1-NE2 3.19Å; V112-H114 PolarHBondContact O-N 3.21Å | ||
| 115 | R | 40.2 | Very low | 44.5 | Very low | 224 Ų | 224 | 137 Ų | 137 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | trans | -15.2 | 135.6 | 151.7 | -156.8 | 175.1 | -167.8 | 166.4 | 1.4 | 112.4 | L113 S117 | L113-R115 PolarHBondContact O-N 3.47Å; R115-S117 PolarHBondContact O-N 2.87Å | ||
| 116 | P | 39.5 | Very low | 44.5 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | trans | -59.6 | 92.6 | -171.7 | 24.3 | -34.6 | 0 | 0 | 0 | 112.4 | R118 | P116-R118 PolarHBondContact O-N 3.34Š| ||
| 117 | S | 36.1 | Very low | 44.5 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | trans | -80.8 | 91.1 | 168.3 | 52.1 | 0 | 0 | 0 | 0 | 108.1 | R115 I119 | R115-S117 PolarHBondContact O-N 2.87Å; S117-I119 PolarHBondContact O-N 2.89Å; S117-I119 VanDerWaalsContact O-N 3.16Å | ||
| 118 | R | 43.5 | Very low | 44.5 | Very low | 217 Ų | 217 | 129.9 Ų | 129.9 | 82% | 0.819 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -71.5 | 6.9 | 179 | -89.4 | 178.1 | 156.9 | 170.9 | -5.2 | 114.9 | P116 S120 | P116-R118 PolarHBondContact O-N 3.34Å; R118-S120 VanDerWaalsContact C-N 3.29Å; R118-S120 PolarHBondContact O-N 2.9Å |
| 119 | I | 43.3 | Very low | 44.2 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 61% | 0.61 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -79.5 | -9.3 | -168.6 | -60.9 | 174.6 | 0 | 0 | 0 | 112.7 | S117 S121 I122 | S117-I119 PolarHBondContact O-N 2.89Å; S117-I119 VanDerWaalsContact O-N 3.16Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 3.47Å; I119-I122 HydrophobicContact CB-CD1 4.46Å; I119-I122 HydrophobicContact CG2-CD1 4.02Å |
| 120 | S | 40.9 | Very low | 43.7 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -75.5 | -11.7 | 177.1 | 57.1 | 0 | 0 | 0 | 0 | 115 | R118 | R118-S120 VanDerWaalsContact C-N 3.29Å; R118-S120 PolarHBondContact O-N 2.9Å |
| 121 | S | 40.7 | Very low | 43.4 | Very low | 75 Ų | 75 | 125.7 Ų | 125.7 | 52% | 0.524 | 65% | 0.653 | S | S | . | * | G | 310 helix | trans | -88.2 | -8 | 178.6 | 77 | 0 | 0 | 0 | 0 | 114.3 | I119 F123 Q124 | I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 3.47Å; S121-F123 VanDerWaalsContact C-N 3.29Å; S121-F123 PolarHBondContact O-N 3.18Å; S121-Q124 PolarHBondContact O-N 3.33Å |
| 122 | I | 42.4 | Very low | 43.3 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 48% | 0.477 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.1 | -19.8 | -173.8 | -45.2 | 178.4 | 0 | 0 | 0 | 111.5 | I119 | I119-I122 HydrophobicContact CB-CD1 4.46Å; I119-I122 HydrophobicContact CG2-CD1 4.02Å |
| 123 | F | 39.5 | Very low | 43.2 | Very low | 181 Ų | 181 | 129.1 Ų | 129.1 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 5 | 177.4 | -67.4 | -77.8 | 0 | 0 | 0 | 114.1 | S121 T125 | S121-F123 VanDerWaalsContact C-N 3.29Å; S121-F123 PolarHBondContact O-N 3.18Å; F123-T125 PolarHBondContact O-N 3.01Å |
| 124 | Q | 42.7 | Very low | 43.3 | Very low | 151 Ų | 151 | 127.1 Ų | 127.1 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | trans | -77.1 | 97.2 | 172.5 | -79.5 | -179.5 | -11.8 | 0 | 0 | 109.2 | S121 | S121-Q124 PolarHBondContact O-N 3.33Š| ||
| 125 | T | 50.6 | Low | 43.4 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 66% | 0.656 | 63% | 0.632 | S | S | * | * | trans | -50.8 | 124.8 | 162.3 | 10.2 | 0 | 0 | 0 | 0 | 107.9 | F123 S127 | F123-T125 PolarHBondContact O-N 3.01Å; T125-S127 PolarHBondContact O-N 3.48Å | ||
| 126 | P | 50.2 | Low | 43.8 | Very low | 50 Ų | 50 | 117.5 Ų | 117.5 | 33% | 0.325 | 62% | 0.615 | S | S | . | * | trans | -65.4 | 129.5 | -178.1 | 24.3 | -31.2 | 0 | 0 | 0 | 109.9 | Y128 I129 | P126-Y128 HydrophobicContact CB-CD1 3.65Å; P126-Y128 HydrophobicContact CB-CE1 3.23Å; P126-Y128 HydrophobicContact CB-CG 4.45Å; P126-Y128 HydrophobicContact CG-CD1 4.36Å; P126-Y128 HydrophobicContact CG-CE1 3.67Å; P126-Y128 HydrophobicContact CG-CE2 4.21Å; P126-Y128 PolarHBondContact O-N 3.24Å; P126-I129 HydrophobicContact CG-CD1 3.85Å; P126-I129 HydrophobicContact CG-CG1 4.31Å; P126-I129 PolarHBondContact O-N 2.9Å | ||
| 127 | S | 48.5 | Very low | 44.3 | Very low | 109 Ų | 109 | 118.3 Ų | 118.3 | 76% | 0.762 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -6.8 | -173 | 51.9 | 0 | 0 | 0 | 0 | 115.1 | T125 I129 | T125-S127 PolarHBondContact O-N 3.48Å; S127-I129 VanDerWaalsContact C-N 3.3Å |
| 128 | Y | 52.5 | Low | 45 | Very low | 152 Ų | 152 | 121.8 Ų | 121.8 | 60% | 0.596 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -7.5 | 173.2 | 62.2 | -103.9 | 0 | 0 | 0 | 113.9 | P126 | P126-Y128 HydrophobicContact CB-CD1 3.65Å; P126-Y128 HydrophobicContact CB-CE1 3.23Å; P126-Y128 HydrophobicContact CB-CG 4.45Å; P126-Y128 HydrophobicContact CG-CD1 4.36Å; P126-Y128 HydrophobicContact CG-CE1 3.67Å; P126-Y128 HydrophobicContact CG-CE2 4.21Å; P126-Y128 PolarHBondContact O-N 3.24Å |
| 129 | I | 48.5 | Very low | 44.9 | Very low | 80 Ų | 80 | 115.4 Ų | 115.4 | 41% | 0.41 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -97.9 | -24 | -178.2 | -54.9 | -178.5 | 0 | 0 | 0 | 112.2 | P126 S127 | P126-I129 HydrophobicContact CG-CD1 3.85Å; P126-I129 HydrophobicContact CG-CG1 4.31Å; P126-I129 PolarHBondContact O-N 2.9Å; S127-I129 VanDerWaalsContact C-N 3.3Å |
| 130 | S | 40.8 | Very low | 45 | Very low | 74 Ų | 74 | 113.7 Ų | 113.7 | 52% | 0.517 | 60% | 0.599 | S | S | . | * | trans | -110.4 | 107.8 | 179.8 | 64.1 | 0 | 0 | 0 | 0 | 111.4 | E132 | S130-E132 PolarHBondContact O-N 2.93Š| ||
| 131 | R | 43.8 | Very low | 45 | Very low | 155 Ų | 155 | 117.2 Ų | 117.2 | 59% | 0.585 | 60% | 0.604 | S | S | * | * | trans | -71.3 | 121.1 | 152.4 | -114.9 | 178.7 | 179.1 | 172.3 | -0.4 | 106.7 | E133 Y135 F144 | R131-E133 VanDerWaalsContact C-N 3.33Å; R131-E133 IonicContact NE-OE1 3.82Å; R131-E133 PolarHBondContact O-N 2.92Å; R131-Y135 PolarHBondContact O-OH 3.4Å; R131-F144 HydrophobicContact CB-CE1 4.16Å; R131-F144 HydrophobicContact CB-CZ 4.37Å | ||
| 132 | E | 42.6 | Very low | 45.4 | Very low | 187 Ų | 187 | 117.3 Ų | 117.3 | 87% | 0.874 | 60% | 0.604 | S | S | * | * | trans | -75.6 | 89.5 | 170.4 | -75.5 | -174.3 | 162.9 | 0 | 0 | 108.4 | S130 | S130-E132 PolarHBondContact O-N 2.93Š| ||
| 133 | E | 41.9 | Very low | 45.7 | Very low | 96 Ų | 96 | 122.7 Ų | 122.7 | 45% | 0.449 | 62% | 0.618 | S | S | . | * | trans | -127.2 | 140.4 | 171.1 | -71.1 | 176 | -171.2 | 0 | 0 | 108.1 | R131 Y135 | R131-E133 VanDerWaalsContact C-N 3.33Å; R131-E133 IonicContact NE-OE1 3.82Å; R131-E133 PolarHBondContact O-N 2.92Å; E133-Y135 HydrophobicContact CB-CE1 4.16Å; E133-Y135 WeakPolarHBondContact O-CD2 3.32Å; E133-Y135 WeakPolarHBondContact O-CE2 3.44Å; E133-Y135 PolarHBondContact O-N 3.46Å | ||
| 134 | T | 43.9 | Very low | 46.2 | Very low | 137 Ų | 137 | 118.1 Ų | 118.1 | 84% | 0.84 | 60% | 0.599 | S | S | * | * | trans | -66.3 | 99.3 | 177.6 | 16 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 135 | Y | 39 | Very low | 46.5 | Very low | 90 Ų | 90 | 112.2 Ų | 112.2 | 35% | 0.353 | 58% | 0.578 | S | S | . | * | trans | -83.2 | 133.1 | -173.5 | -61.4 | -69.7 | 0 | 0 | 0 | 113.1 | R131 E133 E139 F144 | R131-Y135 PolarHBondContact O-OH 3.4Å; E133-Y135 HydrophobicContact CB-CE1 4.16Å; E133-Y135 WeakPolarHBondContact O-CD2 3.32Å; E133-Y135 WeakPolarHBondContact O-CE2 3.44Å; E133-Y135 PolarHBondContact O-N 3.46Å; Y135-E139 HydrophobicContact CD1-CB 4.08Å; Y135-F144 HydrophobicContact CE1-CB 4.44Å; Y135-F144 HydrophobicContact CE1-CD2 4.41Å | ||
| 136 | T | 48.8 | Very low | 46.5 | Very low | 81 Ų | 81 | 110.9 Ų | 110.9 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | trans | -85.6 | 159.2 | 162.7 | 57.5 | 0 | 0 | 0 | 0 | 110.5 | E138 E139 V140 | T136-E138 PolarHBondContact O-N 3.29Å; T136-E138 VanDerWaalsContact O-N 3.09Å; T136-E139 PolarHBondContact N-OE2 2.83Å; T136-E139 PolarHBondContact O-N 3.34Å; T136-E139 PolarHBondContact OG1-OE2 2.93Å; T136-V140 PolarHBondContact O-N 3.4Å | ||
| 137 | V | 50.2 | Low | 46.2 | Very low | 136 Ų | 136 | 109.8 Ų | 109.8 | 82% | 0.824 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -55.7 | -29.5 | -179.3 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | ||
| 138 | E | 50.1 | Low | 46.3 | Very low | 165 Ų | 165 | 108.3 Ų | 108.3 | 77% | 0.771 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -73.4 | -24.3 | 176.7 | -64.7 | -173.1 | 163.8 | 0 | 0 | 113.7 | T136 S142 | T136-E138 PolarHBondContact O-N 3.29Å; T136-E138 VanDerWaalsContact O-N 3.09Å; E138-S142 PolarHBondContact O-OG 2.83Å |
| 139 | E | 42.2 | Very low | 46.3 | Very low | 83 Ų | 83 | 109.3 Ų | 109.3 | 39% | 0.388 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -84.7 | -28.4 | -179.2 | -79.4 | 177 | 139.6 | 0 | 0 | 113.6 | Y135 T136 Q141 S142 R143 | Y135-E139 HydrophobicContact CD1-CB 4.08Å; T136-E139 PolarHBondContact N-OE2 2.83Å; T136-E139 PolarHBondContact O-N 3.34Å; T136-E139 PolarHBondContact OG1-OE2 2.93Å; E139-Q141 PolarHBondContact O-N 2.88Å; E139-S142 PolarHBondContact O-N 2.98Å; E139-S142 PolarHBondContact O-OG 3.27Å; E139-R143 PolarHBondContact O-N 2.82Å |
| 140 | V | 44.6 | Very low | 46.7 | Very low | 84 Ų | 84 | 108.4 Ų | 108.4 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | I | π-helix | trans | -65.3 | -30.1 | 178.7 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | T136 | T136-V140 PolarHBondContact O-N 3.4Å |
| 141 | Q | 42.7 | Very low | 47.2 | Very low | 176 Ų | 176 | 112.1 Ų | 112.1 | 82% | 0.822 | 59% | 0.591 | S | S | * | * | I | π-helix | trans | -81.7 | -26.8 | 176.6 | -110.1 | 179.4 | 10.7 | 0 | 0 | 113.9 | E139 | E139-Q141 PolarHBondContact O-N 2.88Å |
| 142 | S | 48 | Very low | 47.7 | Very low | 76 Ų | 76 | 110.5 Ų | 110.5 | 53% | 0.531 | 59% | 0.594 | S | S | . | * | I | π-helix | trans | -98 | -30.6 | -164.2 | 60.2 | 0 | 0 | 0 | 0 | 115.1 | E138 E139 | E138-S142 PolarHBondContact O-OG 2.83Å; E139-S142 PolarHBondContact O-N 2.98Å; E139-S142 PolarHBondContact O-OG 3.27Å |
| 143 | R | 49.5 | Very low | 48.4 | Very low | 206 Ų | 206 | 102.4 Ų | 102.4 | 78% | 0.777 | 56% | 0.558 | S | S | * | * | I | π-helix | trans | -142.4 | -20.2 | -169.5 | -67.2 | -171.3 | 177 | -174.7 | -1.1 | 118.4 | E139 | E139-R143 PolarHBondContact O-N 2.82Å |
| 144 | F | 50.3 | Low | 49.1 | Very low | 86 Ų | 86 | 108.1 Ų | 108.1 | 38% | 0.377 | 58% | 0.575 | S | S | . | * | I | π-helix | trans | -130.5 | -14.1 | -171.8 | -81.5 | -85.9 | 0 | 0 | 0 | 116.5 | R131 Y135 | R131-F144 HydrophobicContact CB-CE1 4.16Å; R131-F144 HydrophobicContact CB-CZ 4.37Å; Y135-F144 HydrophobicContact CE1-CB 4.44Å; Y135-F144 HydrophobicContact CE1-CD2 4.41Å |
| 145 | G | 47.8 | Very low | 50.1 | Low | 26 Ų | 26 | 108.7 Ų | 108.7 | 27% | 0.268 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -65.8 | 145.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | G147 R156 | G145-G147 PolarHBondContact O-N 3.16Å; G145-R156 PolarHBondContact O-NH1 3.32Å |
| 146 | L | 49.8 | Very low | 51 | Low | 80 Ų | 80 | 109.2 Ų | 109.2 | 42% | 0.419 | 57% | 0.57 | S | S | . | * | trans | -64.9 | 67 | 152.5 | -84.8 | 153.8 | 0 | 0 | 0 | 107.2 | A148 R156 I157 Y160 | L146-A148 PolarHBondContact O-N 2.84Å; L146-R156 HydrophobicContact CD2-CB 3.85Å; L146-I157 HydrophobicContact CD2-CG1 3.78Å; L146-Y160 HydrophobicContact CD1-CD2 4.47Å; L146-Y160 HydrophobicContact CD1-CG 4.38Å | ||
| 147 | G | 45.6 | Very low | 51.7 | Low | 27 Ų | 27 | 107.9 Ų | 107.9 | 28% | 0.278 | 56% | 0.559 | S | S | . | * | trans | -61.8 | 107.3 | 177 | 0 | 0 | 0 | 0 | 0 | 106.8 | G145 L149 T150 S153 | G145-G147 PolarHBondContact O-N 3.16Å; G147-L149 PolarHBondContact O-N 3.13Å; G147-T150 PolarHBondContact O-N 3.41Å; G147-T150 VanDerWaalsContact O-N 3.11Å; G147-T150 PolarHBondContact O-OG1 2.95Å; G147-T150 VanDerWaalsContact O-OG1 3.11Å; G147-S153 WeakPolarHBondContact O-CB 3.44Å | ||
| 148 | A | 50.7 | Low | 52.4 | Low | 78 Ų | 78 | 103.2 Ų | 103.2 | 65% | 0.645 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -3.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L146 | L146-A148 PolarHBondContact O-N 2.84Š|
| 149 | L | 52.6 | Low | 53.2 | Low | 172 Ų | 172 | 98.1 Ų | 98.1 | 90% | 0.901 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.8 | 4.4 | -175.1 | -67.2 | 164 | 0 | 0 | 0 | 113.9 | G147 | G147-L149 PolarHBondContact O-N 3.13Š|
| 150 | T | 55.6 | Low | 54.2 | Low | 62 Ų | 62 | 99.1 Ų | 99.1 | 38% | 0.38 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -77.5 | 146.6 | 173.1 | 54.2 | 0 | 0 | 0 | 0 | 111 | G147 D152 S153 | G147-T150 PolarHBondContact O-N 3.41Å; G147-T150 VanDerWaalsContact O-N 3.11Å; G147-T150 PolarHBondContact O-OG1 2.95Å; G147-T150 VanDerWaalsContact O-OG1 3.11Å; T150-D152 PolarHBondContact O-N 3.49Å; T150-S153 WeakPolarHBondContact O-CB 3.29Å; T150-S153 PolarHBondContact O-N 3.39Å; T150-S153 PolarHBondContact O-OG 2.92Å |
| 151 | V | 51.1 | Low | 55.2 | Low | 152 Ų | 152 | 100.8 Ų | 100.8 | 92% | 0.921 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.4 | -172.5 | 175.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 152 | D | 55 | Low | 56.2 | Low | 121 Ų | 121 | 101.6 Ų | 101.6 | 65% | 0.647 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | 14.8 | 173.9 | -77 | -32 | 0 | 0 | 0 | 114.7 | T150 R154 | T150-D152 PolarHBondContact O-N 3.49Å; D152-R154 VanDerWaalsContact C-N 3.26Å; D152-R154 PolarHBondContact O-N 2.94Å |
| 153 | S | 57.5 | Low | 56.9 | Low | 17 Ų | 17 | 103.3 Ų | 103.3 | 12% | 0.119 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -62.3 | -32.2 | -177.2 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | G147 T150 E155 R156 I157 | G147-S153 WeakPolarHBondContact O-CB 3.44Å; T150-S153 WeakPolarHBondContact O-CB 3.29Å; T150-S153 PolarHBondContact O-N 3.39Å; T150-S153 PolarHBondContact O-OG 2.92Å; S153-E155 PolarHBondContact O-N 3.33Å; S153-R156 PolarHBondContact O-N 3.46Å; S153-I157 WeakPolarHBondContact O-CB 3.5Å; S153-I157 WeakPolarHBondContact O-CD1 3.29Å; S153-I157 WeakPolarHBondContact O-CG1 3.28Å; S153-I157 PolarHBondContact O-N 2.84Å |
| 154 | R | 56.2 | Low | 57.3 | Low | 216 Ų | 216 | 95.7 Ų | 95.7 | 82% | 0.815 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | -175.4 | -171.7 | 175.9 | 179.5 | 175.1 | -0.7 | 112.3 | D152 A158 | D152-R154 VanDerWaalsContact C-N 3.26Å; D152-R154 PolarHBondContact O-N 2.94Å; R154-A158 VanDerWaalsContact O-CB 3.29Å; R154-A158 WeakPolarHBondContact O-CB 3.31Å; R154-A158 PolarHBondContact O-N 3.33Å |
| 155 | E | 64.3 | Low | 57.4 | Low | 148 Ų | 148 | 97.4 Ų | 97.4 | 69% | 0.692 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -73.8 | -39.1 | -179.8 | -168.3 | 166.4 | -159.4 | 0 | 0 | 111.4 | S153 A158 S159 | S153-E155 PolarHBondContact O-N 3.33Å; E155-A158 PolarHBondContact O-N 3Å; E155-S159 WeakPolarHBondContact O-CB 3.48Å; E155-S159 PolarHBondContact O-N 3.05Å |
| 156 | R | 58.7 | Low | 57.4 | Low | 102 Ų | 102 | 97.5 Ų | 97.5 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 173.4 | -68.4 | 179.1 | 70.6 | -156.1 | -0.1 | 111.9 | G145 L146 S153 S159 Y160 | G145-R156 PolarHBondContact O-NH1 3.32Å; L146-R156 HydrophobicContact CD2-CB 3.85Å; S153-R156 PolarHBondContact O-N 3.46Å; R156-S159 PolarHBondContact O-N 2.94Å; R156-Y160 WeakPolarHBondContact O-CB 3.45Å; R156-Y160 PolarHBondContact O-N 3.24Å |
| 157 | I | 63.5 | Low | 57.4 | Low | 53 Ų | 53 | 96.4 Ų | 96.4 | 27% | 0.272 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 175.9 | -67.7 | 164 | 0 | 0 | 0 | 110.6 | L146 S153 K161 | L146-I157 HydrophobicContact CD2-CG1 3.78Å; S153-I157 WeakPolarHBondContact O-CB 3.5Å; S153-I157 WeakPolarHBondContact O-CD1 3.29Å; S153-I157 WeakPolarHBondContact O-CG1 3.28Å; S153-I157 PolarHBondContact O-N 2.84Å; I157-K161 HydrophobicContact CG2-CD 4.22Å; I157-K161 WeakPolarHBondContact O-CB 3.34Å; I157-K161 VanDerWaalsContact O-CG 3.29Å; I157-K161 WeakPolarHBondContact O-CG 3.35Å; I157-K161 PolarHBondContact O-N 3.16Å |
| 158 | A | 64.6 | Low | 57.4 | Low | 38 Ų | 38 | 98.6 Ų | 98.6 | 31% | 0.314 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R154 E155 K161 R162 | R154-A158 VanDerWaalsContact O-CB 3.29Å; R154-A158 WeakPolarHBondContact O-CB 3.31Å; R154-A158 PolarHBondContact O-N 3.33Å; E155-A158 PolarHBondContact O-N 3Å; A158-K161 PolarHBondContact O-N 2.88Å; A158-R162 WeakPolarHBondContact O-CG 3.37Å; A158-R162 PolarHBondContact O-N 2.97Å |
| 159 | S | 66.7 | Low | 57 | Low | 58 Ų | 58 | 101.8 Ų | 101.8 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 176 | -176 | 0 | 0 | 0 | 0 | 111.7 | E155 R156 K161 R162 H163 | E155-S159 WeakPolarHBondContact O-CB 3.48Å; E155-S159 PolarHBondContact O-N 3.05Å; R156-S159 PolarHBondContact O-N 2.94Å; S159-K161 PolarHBondContact O-N 3.02Å; S159-R162 PolarHBondContact O-N 3.13Å; S159-H163 PolarHBondContact O-N 2.9Å |
| 160 | Y | 62.9 | Low | 56.6 | Low | 103 Ų | 103 | 100 Ų | 100 | 40% | 0.404 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57 | -51.5 | 173.3 | -177.8 | -100.6 | 0 | 0 | 0 | 110.8 | L146 R156 R162 H163 T164 | L146-Y160 HydrophobicContact CD1-CD2 4.47Å; L146-Y160 HydrophobicContact CD1-CG 4.38Å; R156-Y160 WeakPolarHBondContact O-CB 3.45Å; R156-Y160 PolarHBondContact O-N 3.24Å; Y160-R162 VanDerWaalsContact C-N 3.34Å; Y160-R162 PolarHBondContact O-N 2.82Å; Y160-H163 PolarHBondContact O-N 2.84Å; Y160-T164 PolarHBondContact O-N 2.96Å; Y160-T164 PolarHBondContact O-OG1 3.49Å |
| 161 | K | 65.1 | Low | 56.3 | Low | 119 Ų | 119 | 101.1 Ų | 101.1 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58 | -42.5 | 177.2 | -74 | -178.1 | 177.9 | -173.8 | 0 | 112.4 | I157 A158 S159 H163 F165 | I157-K161 HydrophobicContact CG2-CD 4.22Å; I157-K161 WeakPolarHBondContact O-CB 3.34Å; I157-K161 VanDerWaalsContact O-CG 3.29Å; I157-K161 WeakPolarHBondContact O-CG 3.35Å; I157-K161 PolarHBondContact O-N 3.16Å; A158-K161 PolarHBondContact O-N 2.88Å; S159-K161 PolarHBondContact O-N 3.02Å; K161-H163 PolarHBondContact O-N 3.41Å; K161-F165 HydrophobicContact CB-CD2 4.05Å; K161-F165 HydrophobicContact CB-CE2 4.38Å; K161-F165 HydrophobicContact CG-CD2 4.31Å; K161-F165 HydrophobicContact CG-CE2 4.13Å; K161-F165 VanDerWaalsContact O-CB 3.32Å; K161-F165 WeakPolarHBondContact O-CB 3.33Å; K161-F165 WeakPolarHBondContact O-CD2 3.47Å; K161-F165 PolarHBondContact O-N 2.95Å |
| 162 | R | 65 | Low | 56 | Low | 194 Ų | 194 | 100.9 Ų | 100.9 | 73% | 0.732 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.6 | -41.4 | 177.6 | -75.7 | -179.5 | -167.2 | 159.1 | 3.8 | 112.4 | A158 S159 Y160 G166 | A158-R162 WeakPolarHBondContact O-CG 3.37Å; A158-R162 PolarHBondContact O-N 2.97Å; S159-R162 PolarHBondContact O-N 3.13Å; Y160-R162 VanDerWaalsContact C-N 3.34Å; Y160-R162 PolarHBondContact O-N 2.82Å; R162-G166 VanDerWaalsContact O-CA 3.25Å; R162-G166 WeakPolarHBondContact O-CA 3.43Å; R162-G166 PolarHBondContact O-N 3.03Å |
| 163 | H | 61.9 | Low | 55.6 | Low | 111 Ų | 111 | 99.1 Ų | 99.1 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.1 | -43.7 | 179.1 | -88.3 | -71.9 | 0 | 0 | 0 | 112.6 | S159 Y160 K161 S167 | S159-H163 PolarHBondContact O-N 2.9Å; Y160-H163 PolarHBondContact O-N 2.84Å; K161-H163 PolarHBondContact O-N 3.41Å; H163-S167 WeakPolarHBondContact O-CB 3.39Å; H163-S167 PolarHBondContact O-N 3.18Å; H163-S167 PolarHBondContact O-OG 3.36Å |
| 164 | T | 58.6 | Low | 55.3 | Low | 47 Ų | 47 | 108.2 Ų | 108.2 | 29% | 0.288 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.7 | -44.8 | -178.7 | -37.5 | 0 | 0 | 0 | 0 | 111.1 | Y160 S167 I168 | Y160-T164 PolarHBondContact O-N 2.96Å; Y160-T164 PolarHBondContact O-OG1 3.49Å; T164-S167 PolarHBondContact O-OG 3.45Å; T164-S167 VanDerWaalsContact O-OG 3.08Å; T164-I168 VanDerWaalsContact O-CD1 3.24Å; T164-I168 WeakPolarHBondContact O-CD1 3.29Å; T164-I168 VanDerWaalsContact O-CG1 3.23Å; T164-I168 WeakPolarHBondContact O-CG1 3.35Å |
| 165 | F | 53.1 | Low | 55.1 | Low | 122 Ų | 122 | 103.4 Ų | 103.4 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -86.7 | -31.7 | -177.3 | -64.5 | -72.8 | 0 | 0 | 0 | 113.5 | K161 S167 I168 E169 | K161-F165 HydrophobicContact CB-CD2 4.05Å; K161-F165 HydrophobicContact CB-CE2 4.38Å; K161-F165 HydrophobicContact CG-CD2 4.31Å; K161-F165 HydrophobicContact CG-CE2 4.13Å; K161-F165 VanDerWaalsContact O-CB 3.32Å; K161-F165 WeakPolarHBondContact O-CB 3.33Å; K161-F165 WeakPolarHBondContact O-CD2 3.47Å; K161-F165 PolarHBondContact O-N 2.95Å; F165-S167 VanDerWaalsContact C-N 3.33Å; F165-S167 PolarHBondContact O-N 3.45Å; F165-I168 HydrophobicContact CD1-CD1 4.44Å; F165-I168 PolarHBondContact O-N 3.48Å; F165-E169 PolarHBondContact O-N 2.84Å |
| 166 | G | 46.9 | Very low | 54.7 | Low | 28 Ų | 28 | 101.6 Ų | 101.6 | 29% | 0.289 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.4 | -31 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R162 M170 | R162-G166 VanDerWaalsContact O-CA 3.25Å; R162-G166 WeakPolarHBondContact O-CA 3.43Å; R162-G166 PolarHBondContact O-N 3.03Å; G166-M170 WeakPolarHBondContact O-CB 3.48Å; G166-M170 PolarHBondContact O-N 2.87Å; G166-M170 VanDerWaalsContact O-N 3.13Å |
| 167 | S | 49.3 | Very low | 54.9 | Low | 57 Ų | 57 | 99.6 Ų | 99.6 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.3 | -32.5 | 171.8 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | H163 T164 F165 S171 | H163-S167 WeakPolarHBondContact O-CB 3.39Å; H163-S167 PolarHBondContact O-N 3.18Å; H163-S167 PolarHBondContact O-OG 3.36Å; T164-S167 PolarHBondContact O-OG 3.45Å; T164-S167 VanDerWaalsContact O-OG 3.08Å; F165-S167 VanDerWaalsContact C-N 3.33Å; F165-S167 PolarHBondContact O-N 3.45Å; S167-S171 WeakPolarHBondContact O-CB 3.48Å; S167-S171 PolarHBondContact O-N 3.35Å; S167-S171 PolarHBondContact O-OG 2.84Å |
| 168 | I | 45.3 | Very low | 55.3 | Low | 73 Ų | 73 | 106.1 Ų | 106.1 | 37% | 0.374 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.9 | -41.8 | 175.1 | -66.7 | 167.4 | 0 | 0 | 0 | 110.8 | T164 F165 S171 L172 | T164-I168 VanDerWaalsContact O-CD1 3.24Å; T164-I168 WeakPolarHBondContact O-CD1 3.29Å; T164-I168 VanDerWaalsContact O-CG1 3.23Å; T164-I168 WeakPolarHBondContact O-CG1 3.35Å; F165-I168 HydrophobicContact CD1-CD1 4.44Å; F165-I168 PolarHBondContact O-N 3.48Å; I168-S171 PolarHBondContact O-N 2.89Å; I168-L172 HydrophobicContact CG2-CD1 4.11Å; I168-L172 PolarHBondContact O-N 3.34Å |
| 169 | E | 42.5 | Very low | 55.4 | Low | 145 Ų | 145 | 113.8 Ų | 113.8 | 68% | 0.678 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.6 | -34.3 | 178.6 | -74.3 | -175.7 | 164.7 | 0 | 0 | 113.3 | F165 S171 S173 | F165-E169 PolarHBondContact O-N 2.84Å; E169-S171 VanDerWaalsContact C-N 3.32Å; E169-S173 PolarHBondContact O-OG 3.34Å |
| 170 | M | 44.4 | Very low | 55.1 | Low | 134 Ų | 134 | 113.7 Ų | 113.7 | 66% | 0.66 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -73.8 | -21.2 | 174.7 | -79.5 | -175.2 | 66.4 | 0 | 0 | 113.8 | G166 | G166-M170 WeakPolarHBondContact O-CB 3.48Å; G166-M170 PolarHBondContact O-N 2.87Å; G166-M170 VanDerWaalsContact O-N 3.13Å |
| 171 | S | 48.8 | Very low | 54.8 | Low | 86 Ų | 86 | 114.7 Ų | 114.7 | 60% | 0.601 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -83 | -24.9 | 178.4 | -56.6 | 0 | 0 | 0 | 0 | 112.6 | S167 I168 E169 | S167-S171 WeakPolarHBondContact O-CB 3.48Å; S167-S171 PolarHBondContact O-N 3.35Å; S167-S171 PolarHBondContact O-OG 2.84Å; I168-S171 PolarHBondContact O-N 2.89Å; E169-S171 VanDerWaalsContact C-N 3.32Å |
| 172 | L | 44.9 | Very low | 54.4 | Low | 146 Ų | 146 | 113.4 Ų | 113.4 | 76% | 0.764 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -86 | -7.4 | -178.2 | -92.8 | 152 | 0 | 0 | 0 | 114.4 | I168 | I168-L172 HydrophobicContact CG2-CD1 4.11Å; I168-L172 PolarHBondContact O-N 3.34Å |
| 173 | S | 47.1 | Very low | 53.8 | Low | 85 Ų | 85 | 107 Ų | 107 | 59% | 0.594 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -119.4 | 22.4 | -164 | 44.4 | 0 | 0 | 0 | 0 | 115 | E169 | E169-S173 PolarHBondContact O-OG 3.34Š|
| 174 | R | 50.9 | Low | 53.3 | Low | 207 Ų | 207 | 108.7 Ų | 108.7 | 78% | 0.781 | 57% | 0.568 | S | S | * | * | trans | -139.8 | 17 | -171.3 | -113.7 | -179.3 | -174.5 | 179.3 | 1.5 | 119.1 | I176 | R174-I176 PolarHBondContact O-N 2.89Š| ||
| 175 | E | 51.9 | Low | 52.9 | Low | 116 Ų | 116 | 113.3 Ų | 113.3 | 54% | 0.542 | 58% | 0.584 | S | S | . | * | trans | -93.8 | 95.7 | 168.3 | -127.4 | 162.2 | 172.4 | 0 | 0 | 109.2 | P182 T183 F185 | E175-P182 CarbonylContact O-C 3.52Å; E175-P182 WeakPolarHBondContact O-CA 3.26Å; E175-T183 VanDerWaalsContact C-OG1 3.27Å; E175-T183 PolarHBondContact O-N 3.42Å; E175-T183 PolarHBondContact O-OG1 3.27Å; E175-F185 WeakPolarHBondContact OE2-CE2 3.43Å; E175-F185 WeakPolarHBondContact OE2-CZ 3.44Å | ||
| 176 | I | 57.2 | Low | 52.3 | Low | 110 Ų | 110 | 111.5 Ų | 111.5 | 56% | 0.564 | 59% | 0.587 | S | S | * | * | B | Isolated β-bridge | trans | -102.7 | 129.2 | 173.6 | -54.1 | 173 | 0 | 0 | 0 | 105.8 | R174 G180 E181 | R174-I176 PolarHBondContact O-N 2.89Å; I176-G180 WeakPolarHBondContact CG2-O 3.48Å; I176-E181 CarbonylContact C-O 3.58Å; I176-E181 VanDerWaalsContact CA-O 3.31Å; I176-E181 WeakPolarHBondContact CA-O 3.21Å |
| 177 | D | 62.7 | Low | 52.3 | Low | 60 Ų | 60 | 116.2 Ų | 116.2 | 32% | 0.321 | 61% | 0.61 | S | S | . | * | trans | -69.3 | 177 | 178 | 73 | 2.7 | 0 | 0 | 0 | 112 | Y179 G180 E181 | D177-Y179 PolarHBondContact O-N 2.96Å; D177-Y179 VanDerWaalsContact OD1-C 3.26Å; D177-Y179 VanDerWaalsContact OD1-CA 3.27Å; D177-Y179 WeakPolarHBondContact OD1-CA 3.4Å; D177-Y179 WeakPolarHBondContact OD1-CB 3.34Å; D177-Y179 PolarHBondContact OD1-N 3.29Å; D177-G180 PolarHBondContact O-N 3.46Å; D177-G180 VanDerWaalsContact O-N 3.13Å; D177-G180 PolarHBondContact OD1-N 2.88Å; D177-E181 PolarHBondContact N-O 3.43Å; D177-E181 PolarHBondContact OD1-N 3.48Å | ||
| 178 | E | 72.5 | Confident | 52.1 | Low | 190 Ų | 190 | 120.2 Ų | 120.2 | 89% | 0.888 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -12.5 | 176.7 | -66.2 | -178.7 | 170.3 | 0 | 0 | 113.4 | ||
| 179 | Y | 66.8 | Low | 51.9 | Low | 198 Ų | 198 | 124.7 Ų | 124.7 | 78% | 0.776 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 1.4 | -179.1 | -60 | -78 | 0 | 0 | 0 | 113.7 | D177 | D177-Y179 PolarHBondContact O-N 2.96Å; D177-Y179 VanDerWaalsContact OD1-C 3.26Å; D177-Y179 VanDerWaalsContact OD1-CA 3.27Å; D177-Y179 WeakPolarHBondContact OD1-CA 3.4Å; D177-Y179 WeakPolarHBondContact OD1-CB 3.34Å; D177-Y179 PolarHBondContact OD1-N 3.29Å |
| 180 | G | 59.2 | Low | 51.8 | Low | 56 Ų | 56 | 124.2 Ų | 124.2 | 58% | 0.577 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 84.6 | 8.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | I176 D177 | I176-G180 WeakPolarHBondContact CG2-O 3.48Å; D177-G180 PolarHBondContact O-N 3.46Å; D177-G180 VanDerWaalsContact O-N 3.13Å; D177-G180 PolarHBondContact OD1-N 2.88Å |
| 181 | E | 57.3 | Low | 51.7 | Low | 125 Ų | 125 | 123.5 Ų | 123.5 | 58% | 0.584 | 65% | 0.652 | S | S | * | * | trans | -95.2 | 137.9 | 179.6 | -67.4 | -84.5 | 148.9 | 0 | 0 | 110.4 | I176 D177 T183 | I176-E181 CarbonylContact C-O 3.58Å; I176-E181 VanDerWaalsContact CA-O 3.31Å; I176-E181 WeakPolarHBondContact CA-O 3.21Å; D177-E181 PolarHBondContact N-O 3.43Å; D177-E181 PolarHBondContact OD1-N 3.48Å; E181-T183 PolarHBondContact O-N 2.9Å; E181-T183 VanDerWaalsContact O-N 3.16Å | ||
| 182 | P | 55.9 | Low | 51.3 | Low | 92 Ų | 92 | 129.7 Ų | 129.7 | 60% | 0.597 | 67% | 0.668 | S | S | * | * | B | Isolated β-bridge | trans | -62.5 | 120 | 172.8 | 25.6 | -30.8 | 0 | 0 | 0 | 109.4 | E175 I184 | E175-P182 CarbonylContact O-C 3.52Å; E175-P182 WeakPolarHBondContact O-CA 3.26Å; P182-I184 VanDerWaalsContact C-N 3.33Å; P182-I184 PolarHBondContact O-N 2.76Å |
| 183 | T | 53.2 | Low | 51.5 | Low | 60 Ų | 60 | 125.5 Ų | 125.5 | 37% | 0.368 | 66% | 0.655 | S | S | . | * | trans | -65.1 | 94.1 | 175.8 | -23.7 | 0 | 0 | 0 | 0 | 107.7 | E175 E181 F185 | E175-T183 VanDerWaalsContact C-OG1 3.27Å; E175-T183 PolarHBondContact O-N 3.42Å; E175-T183 PolarHBondContact O-OG1 3.27Å; E181-T183 PolarHBondContact O-N 2.9Å; E181-T183 VanDerWaalsContact O-N 3.16Å; T183-F185 PolarHBondContact O-N 2.97Å; T183-F185 VanDerWaalsContact O-N 3.13Å | ||
| 184 | I | 51.6 | Low | 51.5 | Low | 146 Ų | 146 | 127.4 Ų | 127.4 | 75% | 0.749 | 67% | 0.665 | S | S | * | * | trans | -68.2 | 109.3 | 164.2 | -59.7 | 173 | 0 | 0 | 0 | 104.2 | P182 S186 | P182-I184 VanDerWaalsContact C-N 3.33Å; P182-I184 PolarHBondContact O-N 2.76Å; I184-S186 PolarHBondContact O-N 2.99Å | ||
| 185 | F | 49.8 | Very low | 51.5 | Low | 144 Ų | 144 | 123.7 Ų | 123.7 | 63% | 0.632 | 67% | 0.665 | S | S | * | * | trans | -58.9 | 98.3 | 160.6 | -73.3 | -83 | 0 | 0 | 0 | 106.6 | E175 T183 V187 | E175-F185 WeakPolarHBondContact OE2-CE2 3.43Å; E175-F185 WeakPolarHBondContact OE2-CZ 3.44Å; T183-F185 PolarHBondContact O-N 2.97Å; T183-F185 VanDerWaalsContact O-N 3.13Å; F185-V187 PolarHBondContact O-N 3.48Å | ||
| 186 | S | 41.2 | Very low | 51.5 | Low | 84 Ų | 84 | 126.9 Ų | 126.9 | 59% | 0.587 | 68% | 0.68 | S | S | * | * | trans | -63.6 | 97.4 | 155.1 | 57.6 | 0 | 0 | 0 | 0 | 104.8 | I184 E188 | I184-S186 PolarHBondContact O-N 2.99Å; S186-E188 PolarHBondContact O-N 3.01Å | ||
| 187 | V | 46.9 | Very low | 51.3 | Low | 127 Ų | 127 | 127.3 Ų | 127.3 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | trans | -63.7 | 85.6 | 150.4 | -178.1 | 0 | 0 | 0 | 0 | 103.1 | F185 D189 | F185-V187 PolarHBondContact O-N 3.48Å; V187-D189 PolarHBondContact O-N 3.32Å | ||
| 188 | E | 44.4 | Very low | 50.9 | Low | 141 Ų | 141 | 129.8 Ų | 129.8 | 66% | 0.659 | 71% | 0.707 | S | S | * | * | trans | -54.2 | 128.5 | 164.5 | -75.1 | 173.4 | 150.9 | 0 | 0 | 105.3 | S186 D190 | S186-E188 PolarHBondContact O-N 3.01Å; E188-D190 PolarHBondContact O-N 3.17Å | ||
| 189 | D | 40.2 | Very low | 50.1 | Low | 166 Ų | 166 | 129.8 Ų | 129.8 | 89% | 0.888 | 71% | 0.708 | S | S | * | * | trans | -60.9 | 71.5 | 172.7 | -76.3 | -48.3 | 0 | 0 | 0 | 108.9 | V187 V191 | V187-D189 PolarHBondContact O-N 3.32Å; D189-V191 VanDerWaalsContact C-N 3.27Å; D189-V191 PolarHBondContact O-N 3.03Å | ||
| 190 | D | 41.5 | Very low | 49.8 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | trans | -74.9 | 89.4 | 171.6 | -93.8 | -15.8 | 0 | 0 | 0 | 107.6 | E188 F192 | E188-D190 PolarHBondContact O-N 3.17Å; D190-F192 PolarHBondContact O-N 3.01Å | ||
| 191 | V | 40.9 | Very low | 50.1 | Low | 119 Ų | 119 | 127.2 Ų | 127.2 | 72% | 0.721 | 70% | 0.697 | S | S | * | * | trans | 51.1 | 75.4 | 141.1 | -166.7 | 0 | 0 | 0 | 0 | 113.4 | D189 A193 | D189-V191 VanDerWaalsContact C-N 3.27Å; D189-V191 PolarHBondContact O-N 3.03Å; V191-A193 HydrophobicContact CG1-CB 4.41Å; V191-A193 PolarHBondContact O-N 3.39Å | ||
| 192 | F | 41.9 | Very low | 50.7 | Low | 216 Ų | 216 | 127.8 Ų | 127.8 | 95% | 0.947 | 70% | 0.702 | S | S | * | * | trans | -65.5 | 83.8 | 147.2 | -87.7 | -84.7 | 0 | 0 | 0 | 107.8 | D190 | D190-F192 PolarHBondContact O-N 3.01Š| ||
| 193 | A | 48.5 | Very low | 51.7 | Low | 59 Ų | 59 | 126.7 Ų | 126.7 | 49% | 0.488 | 70% | 0.697 | S | S | . | * | trans | -56.5 | 130.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | V191 V195 | V191-A193 HydrophobicContact CG1-CB 4.41Å; V191-A193 PolarHBondContact O-N 3.39Å; A193-V195 VanDerWaalsContact C-N 3.35Å; A193-V195 PolarHBondContact O-N 2.91Å | ||
| 194 | P | 47.6 | Very low | 52.5 | Low | 125 Ų | 125 | 130.6 Ų | 130.6 | 81% | 0.812 | 71% | 0.706 | S | S | * | * | trans | -62.2 | 103.2 | 172.5 | 25.1 | -30.3 | 0 | 0 | 0 | 107.1 | E196 | P194-E196 PolarHBondContact O-N 3.19Å; P194-E196 VanDerWaalsContact O-N 3.1Å | ||
| 195 | V | 50 | Low | 53.3 | Low | 129 Ų | 129 | 127.9 Ų | 127.9 | 78% | 0.782 | 69% | 0.692 | S | S | * | * | trans | -62 | 112.9 | 165.2 | 171.8 | 0 | 0 | 0 | 0 | 104.9 | A193 T197 | A193-V195 VanDerWaalsContact C-N 3.35Å; A193-V195 PolarHBondContact O-N 2.91Å; V195-T197 PolarHBondContact O-N 3.35Å | ||
| 196 | E | 52.8 | Low | 54.4 | Low | 183 Ų | 183 | 127.2 Ų | 127.2 | 86% | 0.855 | 69% | 0.691 | S | S | * | * | trans | -47.3 | 107.9 | 169.6 | -71.5 | 178.9 | 161 | 0 | 0 | 107.6 | P194 | P194-E196 PolarHBondContact O-N 3.19Å; P194-E196 VanDerWaalsContact O-N 3.1Å | ||
| 197 | T | 52.6 | Low | 56 | Low | 118 Ų | 118 | 126 Ų | 126 | 72% | 0.724 | 68% | 0.683 | S | S | * | * | trans | -58.3 | 125.9 | 171.8 | 42.6 | 0 | 0 | 0 | 0 | 106.7 | V195 E199 | V195-T197 PolarHBondContact O-N 3.35Å; T197-E199 PolarHBondContact O-N 2.95Å; T197-E199 VanDerWaalsContact O-N 3.17Å | ||
| 198 | P | 54 | Low | 56.9 | Low | 112 Ų | 112 | 124.1 Ų | 124.1 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | trans | -54.2 | 129.3 | 171 | 23.5 | -31.5 | 0 | 0 | 0 | 107 | T200 | P198-T200 PolarHBondContact O-N 3.38Š| ||
| 199 | E | 55.6 | Low | 58 | Low | 191 Ų | 191 | 123.3 Ų | 123.3 | 89% | 0.893 | 67% | 0.665 | S | S | * | * | trans | -51.4 | 102.4 | 177.5 | -69 | -177 | 157.7 | 0 | 0 | 108.1 | T197 D201 | T197-E199 PolarHBondContact O-N 2.95Å; T197-E199 VanDerWaalsContact O-N 3.17Å; E199-D201 PolarHBondContact O-N 3.41Å | ||
| 200 | T | 60.6 | Low | 59.2 | Low | 99 Ų | 99 | 120.5 Ų | 120.5 | 61% | 0.607 | 65% | 0.649 | S | S | * | * | trans | -65.6 | 104.8 | 176.2 | -50.3 | 0 | 0 | 0 | 0 | 105.9 | P198 M202 L205 | P198-T200 PolarHBondContact O-N 3.38Å; T200-M202 VanDerWaalsContact C-N 3.3Å; T200-M202 PolarHBondContact O-N 3.48Å; T200-L205 HydrophobicContact CG2-CD1 3.9Å | ||
| 201 | D | 65.3 | Low | 60.3 | Low | 100 Ų | 100 | 117.2 Ų | 117.2 | 54% | 0.535 | 64% | 0.637 | S | S | . | * | trans | -65.6 | 92.9 | 178.9 | -167.7 | -6.9 | 0 | 0 | 0 | 108.8 | E199 S203 Y204 L205 | E199-D201 PolarHBondContact O-N 3.41Å; D201-S203 VanDerWaalsContact CG-OG 3.24Å; D201-S203 PolarHBondContact O-N 2.97Å; D201-S203 VanDerWaalsContact O-N 3.09Å; D201-S203 WeakPolarHBondContact OD1-CB 3.41Å; D201-S203 PolarHBondContact OD1-N 2.94Å; D201-S203 PolarHBondContact OD1-OG 2.99Å; D201-S203 PolarHBondContact OD2-OG 3.49Å; D201-Y204 WeakPolarHBondContact O-CB 3.45Å; D201-Y204 PolarHBondContact O-N 3Å; D201-L205 PolarHBondContact O-N 2.94Å | ||
| 202 | M | 71.2 | Confident | 61 | Low | 138 Ų | 138 | 116.2 Ų | 116.2 | 68% | 0.68 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -55.8 | -26.7 | 179.5 | -70.2 | -68 | -72.2 | 0 | 0 | 111.1 | T200 L205 E206 | T200-M202 VanDerWaalsContact C-N 3.3Å; T200-M202 PolarHBondContact O-N 3.48Å; M202-L205 PolarHBondContact O-N 3.48Å; M202-E206 PolarHBondContact O-N 3.5Å |
| 203 | S | 75.1 | Confident | 61.4 | Low | 69 Ų | 69 | 115.4 Ų | 115.4 | 48% | 0.483 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.6 | -33.4 | 177.5 | 79.4 | 0 | 0 | 0 | 0 | 112.7 | D201 E206 S207 | D201-S203 VanDerWaalsContact CG-OG 3.24Å; D201-S203 PolarHBondContact O-N 2.97Å; D201-S203 VanDerWaalsContact O-N 3.09Å; D201-S203 WeakPolarHBondContact OD1-CB 3.41Å; D201-S203 PolarHBondContact OD1-N 2.94Å; D201-S203 PolarHBondContact OD1-OG 2.99Å; D201-S203 PolarHBondContact OD2-OG 3.49Å; S203-E206 PolarHBondContact O-N 3.47Å; S203-S207 WeakPolarHBondContact O-CB 3.42Å; S203-S207 PolarHBondContact O-N 3.34Å |
| 204 | Y | 70.2 | Confident | 61.7 | Low | 142 Ų | 142 | 123.3 Ų | 123.3 | 56% | 0.557 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.6 | -43.3 | 175.5 | -177.5 | -103.9 | 0 | 0 | 0 | 111.3 | D201 S207 Q208 | D201-Y204 WeakPolarHBondContact O-CB 3.45Å; D201-Y204 PolarHBondContact O-N 3Å; Y204-S207 PolarHBondContact O-N 3.26Å; Y204-S207 PolarHBondContact O-OG 3.41Å; Y204-Q208 HydrophobicContact CE1-CG 4.17Å; Y204-Q208 WeakPolarHBondContact O-CG 3.35Å; Y204-Q208 PolarHBondContact O-N 3.46Å; Y204-Q208 VanDerWaalsContact O-N 3.09Å; Y204-Q208 PolarHBondContact OH-NE2 3.45Å; Y204-Q208 VanDerWaalsContact OH-NE2 3.11Å |
| 205 | L | 68.6 | Low | 62 | Low | 88 Ų | 88 | 122.5 Ų | 122.5 | 46% | 0.461 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -63.2 | -40.3 | 174.6 | -78 | 168 | 0 | 0 | 0 | 112.1 | T200 D201 M202 Q208 L209 | T200-L205 HydrophobicContact CG2-CD1 3.9Å; D201-L205 PolarHBondContact O-N 2.94Å; M202-L205 PolarHBondContact O-N 3.48Å; L205-Q208 PolarHBondContact O-N 3.38Å; L205-L209 WeakPolarHBondContact O-CG 3.25Å; L205-L209 PolarHBondContact O-N 3.03Å; L205-L209 VanDerWaalsContact O-N 3.09Å |
| 206 | E | 73.8 | Confident | 61.9 | Low | 131 Ų | 131 | 125.9 Ų | 125.9 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.9 | -37.9 | 175.9 | -126.6 | 177.1 | -175.5 | 0 | 0 | 112.1 | M202 S203 L209 L210 | M202-E206 PolarHBondContact O-N 3.5Å; S203-E206 PolarHBondContact O-N 3.47Å; E206-L209 PolarHBondContact O-N 3.02Å; E206-L210 WeakPolarHBondContact O-CB 3.03Å; E206-L210 WeakPolarHBondContact O-CG 3.45Å; E206-L210 PolarHBondContact O-N 3.36Å |
| 207 | S | 74.4 | Confident | 61.6 | Low | 59 Ų | 59 | 124.2 Ų | 124.2 | 41% | 0.413 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.1 | -39.4 | 176.6 | 79.1 | 0 | 0 | 0 | 0 | 112.8 | S203 Y204 L210 S211 | S203-S207 WeakPolarHBondContact O-CB 3.42Å; S203-S207 PolarHBondContact O-N 3.34Å; Y204-S207 PolarHBondContact O-N 3.26Å; Y204-S207 PolarHBondContact O-OG 3.41Å; S207-L210 PolarHBondContact O-N 3.02Å; S207-S211 WeakPolarHBondContact O-CB 3.38Å; S207-S211 PolarHBondContact O-N 2.94Å; S207-S211 PolarHBondContact O-OG 3.38Å |
| 208 | Q | 67.1 | Low | 61.2 | Low | 86 Ų | 86 | 134.3 Ų | 134.3 | 40% | 0.402 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -67.1 | -36.8 | 175.3 | -77.3 | -94.9 | -7.7 | 0 | 0 | 112.1 | Y204 L205 S211 N212 | Y204-Q208 HydrophobicContact CE1-CG 4.17Å; Y204-Q208 WeakPolarHBondContact O-CG 3.35Å; Y204-Q208 PolarHBondContact O-N 3.46Å; Y204-Q208 VanDerWaalsContact O-N 3.09Å; Y204-Q208 PolarHBondContact OH-NE2 3.45Å; Y204-Q208 VanDerWaalsContact OH-NE2 3.11Å; L205-Q208 PolarHBondContact O-N 3.38Å; Q208-S211 PolarHBondContact O-OG 3.34Å; Q208-S211 VanDerWaalsContact O-OG 3.05Å; Q208-N212 WeakPolarHBondContact O-CB 3.46Å; Q208-N212 PolarHBondContact O-N 3.36Å; Q208-N212 PolarHBondContact O-ND2 2.97Å |
| 209 | L | 65.6 | Low | 61.6 | Low | 125 Ų | 125 | 135.5 Ų | 135.5 | 65% | 0.654 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.3 | -40.2 | 175.5 | -75.1 | 167 | 0 | 0 | 0 | 111.8 | L205 E206 R213 | L205-L209 WeakPolarHBondContact O-CG 3.25Å; L205-L209 PolarHBondContact O-N 3.03Å; L205-L209 VanDerWaalsContact O-N 3.09Å; E206-L209 PolarHBondContact O-N 3.02Å; L209-R213 WeakPolarHBondContact O-CB 3.35Å; L209-R213 PolarHBondContact O-N 2.74Å; L209-R213 VanDerWaalsContact O-N 3.11Å |
| 210 | L | 66 | Low | 61.9 | Low | 106 Ų | 106 | 132.5 Ų | 132.5 | 56% | 0.555 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.1 | -33.2 | 177.7 | -73.2 | 169.5 | 0 | 0 | 0 | 113 | E206 S207 R213 | E206-L210 WeakPolarHBondContact O-CB 3.03Å; E206-L210 WeakPolarHBondContact O-CG 3.45Å; E206-L210 PolarHBondContact O-N 3.36Å; S207-L210 PolarHBondContact O-N 3.02Å; L210-R213 PolarHBondContact O-N 2.83Å |
| 211 | S | 64.1 | Low | 61.9 | Low | 66 Ų | 66 | 134.4 Ų | 134.4 | 46% | 0.462 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -67.3 | -38.3 | 174.8 | 66.2 | 0 | 0 | 0 | 0 | 111.7 | S207 Q208 | S207-S211 WeakPolarHBondContact O-CB 3.38Å; S207-S211 PolarHBondContact O-N 2.94Å; S207-S211 PolarHBondContact O-OG 3.38Å; Q208-S211 PolarHBondContact O-OG 3.34Å; Q208-S211 VanDerWaalsContact O-OG 3.05Å |
| 212 | N | 55.9 | Low | 61.7 | Low | 99 Ų | 99 | 136.4 Ų | 136.4 | 53% | 0.529 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -73.9 | -26.4 | 175.9 | -77.3 | -28.3 | 0 | 0 | 0 | 112.9 | Q208 R214 V215 | Q208-N212 WeakPolarHBondContact O-CB 3.46Å; Q208-N212 PolarHBondContact O-N 3.36Å; Q208-N212 PolarHBondContact O-ND2 2.97Å; N212-R214 VanDerWaalsContact C-N 3.3Å; N212-R214 PolarHBondContact O-N 3.1Å; N212-V215 PolarHBondContact O-N 3.3Å |
| 213 | R | 51.6 | Low | 61.2 | Low | 199 Ų | 199 | 136.3 Ų | 136.3 | 75% | 0.751 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.7 | -17.7 | 179 | -147.8 | 175.7 | -173.3 | -175.5 | 2 | 114 | L209 L210 V215 | L209-R213 WeakPolarHBondContact O-CB 3.35Å; L209-R213 PolarHBondContact O-N 2.74Å; L209-R213 VanDerWaalsContact O-N 3.11Å; L210-R213 PolarHBondContact O-N 2.83Å; R213-V215 VanDerWaalsContact C-N 3.3Å |
| 214 | R | 53.1 | Low | 60.2 | Low | 225 Ų | 225 | 140.8 Ų | 140.8 | 85% | 0.849 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -9 | 174.1 | -78.8 | -171.4 | -174.7 | 177.5 | 3.3 | 114.3 | N212 Y216 | N212-R214 VanDerWaalsContact C-N 3.3Å; N212-R214 PolarHBondContact O-N 3.1Å; R214-Y216 VanDerWaalsContact C-N 3.33Å |
| 215 | V | 53.8 | Low | 59.5 | Low | 108 Ų | 108 | 140.7 Ų | 140.7 | 66% | 0.655 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -9.8 | 179.8 | -174.4 | 0 | 0 | 0 | 0 | 112.3 | N212 R213 | N212-V215 PolarHBondContact O-N 3.3Å; R213-V215 VanDerWaalsContact C-N 3.3Å |
| 216 | Y | 48.1 | Very low | 58.8 | Low | 200 Ų | 200 | 144.8 Ų | 144.8 | 78% | 0.784 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -115 | 44.3 | -177.4 | -75.1 | -80.8 | 0 | 0 | 0 | 114.4 | R214 | R214-Y216 VanDerWaalsContact C-N 3.33Š|
| 217 | N | 47.3 | Very low | 57.6 | Low | 147 Ų | 147 | 145.9 Ų | 145.9 | 79% | 0.786 | 67% | 0.674 | S | S | * | * | trans | -127.5 | 63.7 | 166.7 | -91.4 | -16.2 | 0 | 0 | 0 | 110 | ||||
| 218 | W | 44 | Very low | 56.1 | Low | 331 Ų | 331 | 153.8 Ų | 153.8 | 100% | 1.254 | 70% | 0.698 | S | S | * | * | trans | -135.6 | 0 | 160.5 | -98.5 | 62 | 0 | 0 | 0 | 107.9 |
Retrieved 218 of 218 residues in 567.8 ms
(Link to these results)