| 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 | 41.8 | Very low | 50.2 | Low | 233 Ų | 233 | 154.7 Ų | 154.7 | 100% | 1.148 | 76% | 0.759 | S | S | * | * | 0 | 85.6 | 0 | -75.7 | 174.9 | 173 | 0 | 0 | 106.8 | |||||
| 2 | E | 40.8 | Very low | 51.6 | Low | 184 Ų | 184 | 150.2 Ų | 150.2 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | trans | -127.2 | 57.6 | -157.8 | -66.8 | 159.2 | 135.2 | 0 | 0 | 111.6 | ||||
| 3 | L | 40.6 | Very low | 53.1 | Low | 153 Ų | 153 | 146.2 Ų | 146.2 | 80% | 0.801 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -133.8 | 10.6 | 178.4 | -72 | 176.2 | 0 | 0 | 0 | 113.9 | ||
| 4 | Y | 48.8 | Very low | 54.7 | Low | 233 Ų | 233 | 140.3 Ų | 140.3 | 91% | 0.914 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -107.3 | -5.6 | -176.6 | -97.4 | -83.6 | 0 | 0 | 0 | 115.4 | ||
| 5 | E | 49.7 | Very low | 55.9 | Low | 191 Ų | 191 | 134.6 Ų | 134.6 | 89% | 0.893 | 68% | 0.679 | S | S | * | * | trans | -103.3 | 12.6 | -178.2 | -67.4 | -174.6 | 128.2 | 0 | 0 | 114.2 | T7 | E5-T7 PolarHBondContact O-N 2.56Š| ||
| 6 | S | 44.8 | Very low | 57.3 | Low | 64 Ų | 64 | 130.8 Ų | 130.8 | 45% | 0.448 | 66% | 0.664 | S | S | . | * | trans | -81.5 | 109.3 | 177.9 | -169.6 | 0 | 0 | 0 | 0 | 111.5 | Y8 F9 | S6-Y8 PolarHBondContact O-N 2.81Å; S6-F9 PolarHBondContact O-N 2.83Å; S6-F9 VanDerWaalsContact O-N 3.07Å | ||
| 7 | T | 50.3 | Low | 58.8 | Low | 114 Ų | 114 | 127.5 Ų | 127.5 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -23.6 | -177.6 | -31.7 | 0 | 0 | 0 | 0 | 113.9 | E5 F9 V10 | E5-T7 PolarHBondContact O-N 2.56Å; T7-F9 PolarHBondContact O-N 3.09Å; T7-V10 PolarHBondContact O-N 2.65Å |
| 8 | Y | 54 | Low | 60.1 | Low | 191 Ų | 191 | 125.8 Ų | 125.8 | 75% | 0.749 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -55.1 | -32.9 | 175.7 | -74.5 | -90.7 | 0 | 0 | 0 | 113.7 | S6 V10 V11 L12 | S6-Y8 PolarHBondContact O-N 2.81Å; Y8-V10 VanDerWaalsContact C-N 3.3Å; Y8-V10 PolarHBondContact O-N 2.94Å; Y8-V11 PolarHBondContact O-N 3.1Å; Y8-L12 VanDerWaalsContact O-CB 3.27Å; Y8-L12 WeakPolarHBondContact O-CB 3.41Å; Y8-L12 PolarHBondContact O-N 3Å |
| 9 | F | 55.9 | Low | 61.1 | Low | 127 Ų | 127 | 123.2 Ų | 123.2 | 56% | 0.557 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.3 | -33.2 | -177.9 | -105.4 | -78.4 | 0 | 0 | 0 | 113.5 | S6 T7 V11 L12 I13 | S6-F9 PolarHBondContact O-N 2.83Å; S6-F9 VanDerWaalsContact O-N 3.07Å; T7-F9 PolarHBondContact O-N 3.09Å; F9-V11 VanDerWaalsContact C-N 3.27Å; F9-V11 PolarHBondContact O-N 3.19Å; F9-L12 PolarHBondContact O-N 3.48Å; F9-I13 HydrophobicContact CD1-CD1 3.93Å; F9-I13 HydrophobicContact CD1-CG1 4.12Å; F9-I13 PolarHBondContact O-N 2.73Å; F9-I13 VanDerWaalsContact O-N 3.14Å |
| 10 | V | 61.3 | Low | 62 | Low | 114 Ų | 114 | 121.4 Ų | 121.4 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67 | -28.7 | 179.2 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | T7 Y8 P14 | T7-V10 PolarHBondContact O-N 2.65Å; Y8-V10 VanDerWaalsContact C-N 3.3Å; Y8-V10 PolarHBondContact O-N 2.94Å; V10-P14 WeakPolarHBondContact O-CD 3.46Å; V10-P14 VanDerWaalsContact O-CG 3.3Å; V10-P14 WeakPolarHBondContact O-CG 3.1Å |
| 11 | V | 64.1 | Low | 62.7 | Low | 98 Ų | 98 | 119.5 Ų | 119.5 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -93.5 | -33.4 | 177.5 | -175.7 | 0 | 0 | 0 | 0 | 111.8 | Y8 F9 S15 | Y8-V11 PolarHBondContact O-N 3.1Å; F9-V11 VanDerWaalsContact C-N 3.27Å; F9-V11 PolarHBondContact O-N 3.19Å; V11-S15 WeakPolarHBondContact O-CB 3.25Å; V11-S15 PolarHBondContact O-N 2.95Å; V11-S15 PolarHBondContact O-OG 3.47Å |
| 12 | L | 67.6 | Low | 64.3 | Low | 100 Ų | 100 | 115.6 Ų | 115.6 | 52% | 0.524 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.4 | -39.6 | -176.6 | -162.3 | 73.9 | 0 | 0 | 0 | 112.2 | Y8 F9 S15 V16 | Y8-L12 VanDerWaalsContact O-CB 3.27Å; Y8-L12 WeakPolarHBondContact O-CB 3.41Å; Y8-L12 PolarHBondContact O-N 3Å; F9-L12 PolarHBondContact O-N 3.48Å; L12-S15 PolarHBondContact O-N 2.78Å; L12-V16 HydrophobicContact CG-CG2 4.33Å; L12-V16 WeakPolarHBondContact O-CB 3.45Å; L12-V16 VanDerWaalsContact O-CG2 3.32Å; L12-V16 WeakPolarHBondContact O-CG2 3.24Å; L12-V16 PolarHBondContact O-N 3.24Å |
| 13 | I | 70.4 | Confident | 65.8 | Low | 99 Ų | 99 | 111 Ų | 111 | 51% | 0.508 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.2 | -52.6 | 179.1 | -70.2 | 170.4 | 0 | 0 | 0 | 111.5 | F9 S15 V16 V17 | F9-I13 HydrophobicContact CD1-CD1 3.93Å; F9-I13 HydrophobicContact CD1-CG1 4.12Å; F9-I13 PolarHBondContact O-N 2.73Å; F9-I13 VanDerWaalsContact O-N 3.14Å; I13-S15 VanDerWaalsContact C-N 3.31Å; I13-S15 PolarHBondContact O-N 3.3Å; I13-V16 PolarHBondContact O-N 3.45Å; I13-V17 HydrophobicContact CG2-CG2 4.46Å; I13-V17 WeakPolarHBondContact O-CG2 3.34Å; I13-V17 PolarHBondContact O-N 3.11Å |
| 14 | P | 76.1 | Confident | 67.3 | Low | 63 Ų | 63 | 110.3 Ų | 110.3 | 41% | 0.409 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -56.9 | -41.8 | 173.2 | -27 | 35.8 | 0 | 0 | 0 | 112.9 | V10 V16 V17 I18 | V10-P14 WeakPolarHBondContact O-CD 3.46Å; V10-P14 VanDerWaalsContact O-CG 3.3Å; V10-P14 WeakPolarHBondContact O-CG 3.1Å; P14-V16 PolarHBondContact O-N 3.26Å; P14-V17 PolarHBondContact O-N 3.14Å; P14-I18 WeakPolarHBondContact O-CB 3.49Å; P14-I18 WeakPolarHBondContact O-CD1 3.42Å; P14-I18 WeakPolarHBondContact O-CG1 3.43Å; P14-I18 PolarHBondContact O-N 2.91Å |
| 15 | S | 72 | Confident | 68 | Low | 55 Ų | 55 | 105.4 Ų | 105.4 | 39% | 0.385 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.4 | -44.9 | 178.6 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | V11 L12 I13 I18 T19 | V11-S15 WeakPolarHBondContact O-CB 3.25Å; V11-S15 PolarHBondContact O-N 2.95Å; V11-S15 PolarHBondContact O-OG 3.47Å; L12-S15 PolarHBondContact O-N 2.78Å; I13-S15 VanDerWaalsContact C-N 3.31Å; I13-S15 PolarHBondContact O-N 3.3Å; S15-I18 PolarHBondContact O-N 3.44Å; S15-T19 WeakPolarHBondContact O-CG2 3.4Å; S15-T19 PolarHBondContact O-N 2.95Å; S15-T19 PolarHBondContact O-OG1 2.77Å |
| 16 | V | 78.4 | Confident | 68.6 | Low | 74 Ų | 74 | 104.2 Ų | 104.2 | 45% | 0.448 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 176.5 | 169.9 | 0 | 0 | 0 | 0 | 110.3 | L12 I13 P14 I18 T19 V20 | L12-V16 HydrophobicContact CG-CG2 4.33Å; L12-V16 WeakPolarHBondContact O-CB 3.45Å; L12-V16 VanDerWaalsContact O-CG2 3.32Å; L12-V16 WeakPolarHBondContact O-CG2 3.24Å; L12-V16 PolarHBondContact O-N 3.24Å; I13-V16 PolarHBondContact O-N 3.45Å; P14-V16 PolarHBondContact O-N 3.26Å; V16-I18 VanDerWaalsContact C-N 3.34Å; V16-I18 PolarHBondContact O-N 2.78Å; V16-T19 WeakPolarHBondContact CA-OG1 3.11Å; V16-T19 PolarHBondContact O-N 3.47Å; V16-T19 VanDerWaalsContact O-N 3.13Å; V16-T19 PolarHBondContact O-OG1 3.41Å; V16-V20 HydrophobicContact CG1-CG2 4.34Å; V16-V20 WeakPolarHBondContact O-CG2 3.1Å; V16-V20 PolarHBondContact O-N 3.31Å |
| 17 | V | 82.9 | Confident | 69.4 | Low | 75 Ų | 75 | 107 Ų | 107 | 46% | 0.455 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 176.6 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | I13 P14 T19 V20 I21 | I13-V17 HydrophobicContact CG2-CG2 4.46Å; I13-V17 WeakPolarHBondContact O-CG2 3.34Å; I13-V17 PolarHBondContact O-N 3.11Å; P14-V17 PolarHBondContact O-N 3.14Å; V17-T19 PolarHBondContact O-N 2.72Å; V17-V20 PolarHBondContact O-N 3.32Å; V17-I21 HydrophobicContact CG1-CD1 3.75Å; V17-I21 HydrophobicContact CG1-CG1 4.47Å; V17-I21 WeakPolarHBondContact O-CB 3.44Å; V17-I21 VanDerWaalsContact O-CG1 3.29Å; V17-I21 WeakPolarHBondContact O-CG1 3.45Å; V17-I21 PolarHBondContact O-N 2.95Å |
| 18 | I | 82.2 | Confident | 69.3 | Low | 96 Ų | 96 | 109 Ų | 109 | 49% | 0.492 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 175.3 | -70.5 | 164 | 0 | 0 | 0 | 111.1 | P14 S15 V16 I21 F22 | P14-I18 WeakPolarHBondContact O-CB 3.49Å; P14-I18 WeakPolarHBondContact O-CD1 3.42Å; P14-I18 WeakPolarHBondContact O-CG1 3.43Å; P14-I18 PolarHBondContact O-N 2.91Å; S15-I18 PolarHBondContact O-N 3.44Å; V16-I18 VanDerWaalsContact C-N 3.34Å; V16-I18 PolarHBondContact O-N 2.78Å; I18-I21 PolarHBondContact O-N 3.3Å; I18-F22 HydrophobicContact CG2-CD2 4.04Å; I18-F22 HydrophobicContact CG2-CE2 4.44Å; I18-F22 WeakPolarHBondContact O-CB 3.41Å; I18-F22 PolarHBondContact O-N 3.31Å |
| 19 | T | 78.5 | Confident | 69.2 | Low | 77 Ų | 77 | 106.9 Ų | 106.9 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.9 | -33.8 | 176 | 57.3 | 0 | 0 | 0 | 0 | 113.5 | S15 V16 V17 F22 L23 | S15-T19 WeakPolarHBondContact O-CG2 3.4Å; S15-T19 PolarHBondContact O-N 2.95Å; S15-T19 PolarHBondContact O-OG1 2.77Å; V16-T19 WeakPolarHBondContact CA-OG1 3.11Å; V16-T19 PolarHBondContact O-N 3.47Å; V16-T19 VanDerWaalsContact O-N 3.13Å; V16-T19 PolarHBondContact O-OG1 3.41Å; V17-T19 PolarHBondContact O-N 2.72Å; T19-F22 PolarHBondContact O-N 2.89Å; T19-L23 WeakPolarHBondContact O-CB 3.46Å; T19-L23 WeakPolarHBondContact O-CG 3.45Å; T19-L23 PolarHBondContact O-N 3.42Å |
| 20 | V | 79.1 | Confident | 68.8 | Low | 86 Ų | 86 | 107.6 Ų | 107.6 | 52% | 0.521 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.7 | -42.8 | 174.2 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | V16 V17 L23 F24 | V16-V20 HydrophobicContact CG1-CG2 4.34Å; V16-V20 WeakPolarHBondContact O-CG2 3.1Å; V16-V20 PolarHBondContact O-N 3.31Å; V17-V20 PolarHBondContact O-N 3.32Å; V20-L23 PolarHBondContact O-N 3.05Å; V20-F24 WeakPolarHBondContact O-CB 3.38Å; V20-F24 PolarHBondContact O-N 3.1Å |
| 21 | I | 77.2 | Confident | 68.3 | Low | 82 Ų | 82 | 110.5 Ų | 110.5 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.6 | -44 | 173.4 | -69.9 | 167.3 | 0 | 0 | 0 | 110.6 | V17 I18 F24 F25 | V17-I21 HydrophobicContact CG1-CD1 3.75Å; V17-I21 HydrophobicContact CG1-CG1 4.47Å; V17-I21 WeakPolarHBondContact O-CB 3.44Å; V17-I21 VanDerWaalsContact O-CG1 3.29Å; V17-I21 WeakPolarHBondContact O-CG1 3.45Å; V17-I21 PolarHBondContact O-N 2.95Å; I18-I21 PolarHBondContact O-N 3.3Å; I21-F24 WeakPolarHBondContact O-CB 3.39Å; I21-F24 PolarHBondContact O-N 3.5Å; I21-F25 HydrophobicContact CG2-CD2 3.73Å; I21-F25 HydrophobicContact CG2-CE2 3.81Å; I21-F25 WeakPolarHBondContact O-CD2 3.49Å; I21-F25 PolarHBondContact O-N 3.45Å |
| 22 | F | 74.7 | Confident | 67.7 | Low | 152 Ų | 152 | 111 Ų | 111 | 67% | 0.667 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.8 | -39.3 | 175.1 | -104.9 | -84 | 0 | 0 | 0 | 112.9 | I18 T19 W26 | I18-F22 HydrophobicContact CG2-CD2 4.04Å; I18-F22 HydrophobicContact CG2-CE2 4.44Å; I18-F22 WeakPolarHBondContact O-CB 3.41Å; I18-F22 PolarHBondContact O-N 3.31Å; T19-F22 PolarHBondContact O-N 2.89Å; F22-W26 WeakPolarHBondContact O-CB 3.33Å; F22-W26 PolarHBondContact O-N 3.4Å |
| 23 | L | 72.5 | Confident | 66.8 | Low | 88 Ų | 88 | 112.3 Ų | 112.3 | 46% | 0.461 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.8 | -40.9 | 173.4 | -83.3 | 160.5 | 0 | 0 | 0 | 111.5 | T19 V20 W26 L27 | T19-L23 WeakPolarHBondContact O-CB 3.46Å; T19-L23 WeakPolarHBondContact O-CG 3.45Å; T19-L23 PolarHBondContact O-N 3.42Å; V20-L23 PolarHBondContact O-N 3.05Å; L23-W26 HydrophobicContact CD2-CE3 4.11Å; L23-W26 HydrophobicContact CD2-CZ3 4.44Å; L23-W26 PolarHBondContact O-N 3.38Å; L23-L27 WeakPolarHBondContact O-CB 3.35Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 2.82Å |
| 24 | F | 73.1 | Confident | 65.6 | Low | 138 Ų | 138 | 117.5 Ų | 117.5 | 61% | 0.605 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.8 | -51.4 | 175.8 | -160.9 | -93 | 0 | 0 | 0 | 110.8 | V20 I21 W26 L27 F28 | V20-F24 WeakPolarHBondContact O-CB 3.38Å; V20-F24 PolarHBondContact O-N 3.1Å; I21-F24 WeakPolarHBondContact O-CB 3.39Å; I21-F24 PolarHBondContact O-N 3.5Å; F24-W26 PolarHBondContact O-N 2.93Å; F24-L27 PolarHBondContact O-N 3.35Å; F24-F28 WeakPolarHBondContact O-CB 3.2Å; F24-F28 PolarHBondContact O-N 2.87Å |
| 25 | F | 63.7 | Low | 64.3 | Low | 129 Ų | 129 | 120.6 Ų | 120.6 | 57% | 0.566 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61 | -39.5 | 173.8 | -85.7 | -71.3 | 0 | 0 | 0 | 112.9 | I21 L27 F28 M29 | I21-F25 HydrophobicContact CG2-CD2 3.73Å; I21-F25 HydrophobicContact CG2-CE2 3.81Å; I21-F25 WeakPolarHBondContact O-CD2 3.49Å; I21-F25 PolarHBondContact O-N 3.45Å; F25-L27 PolarHBondContact O-N 3.49Å; F25-F28 PolarHBondContact O-N 3.12Å; F25-M29 WeakPolarHBondContact O-CB 3.49Å; F25-M29 WeakPolarHBondContact O-CG 3.43Å; F25-M29 PolarHBondContact O-N 2.95Å |
| 26 | W | 62.3 | Low | 63.3 | Low | 167 Ų | 167 | 123.4 Ų | 123.4 | 63% | 0.633 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71.1 | -29.4 | -178.4 | -173.6 | 42.5 | 0 | 0 | 0 | 113.4 | F22 L23 F24 | F22-W26 WeakPolarHBondContact O-CB 3.33Å; F22-W26 PolarHBondContact O-N 3.4Å; L23-W26 HydrophobicContact CD2-CE3 4.11Å; L23-W26 HydrophobicContact CD2-CZ3 4.44Å; L23-W26 PolarHBondContact O-N 3.38Å; F24-W26 PolarHBondContact O-N 2.93Å |
| 27 | L | 61.5 | Low | 62.3 | Low | 121 Ų | 121 | 124.4 Ų | 124.4 | 63% | 0.634 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.8 | -51.5 | 170.1 | -71.7 | 166.5 | 0 | 0 | 0 | 111 | L23 F24 F25 M29 K30 | L23-L27 WeakPolarHBondContact O-CB 3.35Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 2.82Å; F24-L27 PolarHBondContact O-N 3.35Å; F25-L27 PolarHBondContact O-N 3.49Å; L27-M29 PolarHBondContact O-N 3.07Å; L27-K30 WeakPolarHBondContact O-CB 3.4Å; L27-K30 PolarHBondContact O-N 3.13Å; L27-K30 VanDerWaalsContact O-N 3.09Å |
| 28 | F | 48.3 | Very low | 61 | Low | 157 Ų | 157 | 125.1 Ų | 125.1 | 69% | 0.689 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69.1 | -32.4 | -173.9 | -135.3 | -98.3 | 0 | 0 | 0 | 113.5 | F24 F25 K30 | F24-F28 WeakPolarHBondContact O-CB 3.2Å; F24-F28 PolarHBondContact O-N 2.87Å; F25-F28 PolarHBondContact O-N 3.12Å; F28-K30 PolarHBondContact O-N 2.98Å |
| 29 | M | 51.7 | Low | 59.8 | Low | 147 Ų | 147 | 122.4 Ų | 122.4 | 72% | 0.724 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -3.5 | 174 | -69.5 | -74.4 | -71.1 | 0 | 0 | 113.6 | F25 L27 | F25-M29 WeakPolarHBondContact O-CB 3.49Å; F25-M29 WeakPolarHBondContact O-CG 3.43Å; F25-M29 PolarHBondContact O-N 2.95Å; L27-M29 PolarHBondContact O-N 3.07Å |
| 30 | K | 47.5 | Very low | 58.4 | Low | 141 Ų | 141 | 123.9 Ų | 123.9 | 61% | 0.613 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -12.9 | -175.6 | -125.8 | 178.7 | 179.1 | -177.8 | 0 | 114.8 | L27 F28 | L27-K30 WeakPolarHBondContact O-CB 3.4Å; L27-K30 PolarHBondContact O-N 3.13Å; L27-K30 VanDerWaalsContact O-N 3.09Å; F28-K30 PolarHBondContact O-N 2.98Å |
| 31 | E | 50.8 | Low | 56.8 | Low | 176 Ų | 176 | 125.7 Ų | 125.7 | 82% | 0.822 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -101.1 | 22.3 | -177.2 | -66.2 | -161.3 | 135.1 | 0 | 0 | 114.6 | ||
| 32 | T | 50.5 | Low | 55.4 | Low | 107 Ų | 107 | 129.1 Ų | 129.1 | 66% | 0.656 | 61% | 0.612 | S | S | * | * | trans | -128.2 | 71.4 | 166.6 | 45 | 0 | 0 | 0 | 0 | 112.1 | Y34 | T32-Y34 PolarHBondContact O-N 3.48Å; T32-Y34 VanDerWaalsContact O-N 3.17Å | ||
| 33 | L | 48.6 | Very low | 54.2 | Low | 128 Ų | 128 | 130.4 Ų | 130.4 | 67% | 0.67 | 61% | 0.613 | S | S | * | * | trans | -62.8 | 115.4 | 167.4 | -81.4 | 167.9 | 0 | 0 | 0 | 110 | D35 E36 | L33-D35 PolarHBondContact O-N 3.3Å; L33-E36 PolarHBondContact O-N 2.91Å | ||
| 34 | Y | 46 | Very low | 52.6 | Low | 209 Ų | 209 | 133.4 Ų | 133.4 | 82% | 0.82 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -53.6 | -30.2 | -175.9 | -123.8 | -102.1 | 0 | 0 | 0 | 113.6 | T32 E36 V37 L38 | T32-Y34 PolarHBondContact O-N 3.48Å; T32-Y34 VanDerWaalsContact O-N 3.17Å; Y34-E36 VanDerWaalsContact C-N 3.34Å; Y34-E36 PolarHBondContact O-N 2.79Å; Y34-V37 PolarHBondContact O-N 3.44Å; Y34-L38 PolarHBondContact O-N 3.5Å |
| 35 | D | 48.6 | Very low | 50.9 | Low | 127 Ų | 127 | 135 Ų | 135 | 68% | 0.679 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.4 | -31.2 | 176.8 | -71.5 | -51 | 0 | 0 | 0 | 113.6 | L33 L38 A39 | L33-D35 PolarHBondContact O-N 3.3Å; D35-L38 PolarHBondContact O-N 2.88Å; D35-A39 VanDerWaalsContact O-CB 3.28Å; D35-A39 WeakPolarHBondContact O-CB 3.37Å; D35-A39 PolarHBondContact O-N 3.31Å |
| 36 | E | 50.7 | Low | 49.5 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 53% | 0.533 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -73 | -38.3 | -179.7 | -164 | -173.6 | 137.7 | 0 | 0 | 111.7 | L33 Y34 L38 A39 K40 | L33-E36 PolarHBondContact O-N 2.91Å; Y34-E36 VanDerWaalsContact C-N 3.34Å; Y34-E36 PolarHBondContact O-N 2.79Å; E36-L38 VanDerWaalsContact C-N 3.32Å; E36-L38 PolarHBondContact O-N 2.95Å; E36-A39 CarbonylContact O-C 3.58Å; E36-A39 PolarHBondContact O-N 2.91Å; E36-A39 VanDerWaalsContact O-N 3.16Å; E36-K40 PolarHBondContact O-N 2.86Å; E36-K40 WeakPolarHBondContact OE1-CE 3.25Å; E36-K40 IonicContact OE1-NZ 2.66Å; E36-K40 PolarHBondContact OE1-NZ 3.13Å |
| 37 | V | 58.1 | Low | 48.4 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 58% | 0.576 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -61.1 | -44.7 | 174 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | Y34 A39 K40 Q41 | Y34-V37 PolarHBondContact O-N 3.44Å; V37-A39 VanDerWaalsContact C-N 3.29Å; V37-A39 PolarHBondContact O-N 3.37Å; V37-K40 PolarHBondContact O-N 3.4Å; V37-Q41 PolarHBondContact O-N 3.01Å |
| 38 | L | 55 | Low | 46.9 | Very low | 91 Ų | 91 | 139 Ų | 139 | 48% | 0.476 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -66.1 | -30.7 | 176.5 | -150.4 | 73.3 | 0 | 0 | 0 | 112.6 | Y34 D35 E36 K42 | Y34-L38 PolarHBondContact O-N 3.5Å; D35-L38 PolarHBondContact O-N 2.88Å; E36-L38 VanDerWaalsContact C-N 3.32Å; E36-L38 PolarHBondContact O-N 2.95Å; L38-K42 PolarHBondContact O-N 3.31Å |
| 39 | A | 56.4 | Low | 45.9 | Very low | 38 Ų | 38 | 136.8 Ų | 136.8 | 31% | 0.314 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -77.8 | -24.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D35 E36 V37 R43 | D35-A39 VanDerWaalsContact O-CB 3.28Å; D35-A39 WeakPolarHBondContact O-CB 3.37Å; D35-A39 PolarHBondContact O-N 3.31Å; E36-A39 CarbonylContact O-C 3.58Å; E36-A39 PolarHBondContact O-N 2.91Å; E36-A39 VanDerWaalsContact O-N 3.16Å; V37-A39 VanDerWaalsContact C-N 3.29Å; V37-A39 PolarHBondContact O-N 3.37Å; A39-R43 PolarHBondContact O-NH1 3.44Å |
| 40 | K | 49.9 | Very low | 44.9 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 47% | 0.47 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -74.7 | -49.2 | 169.1 | -81.5 | 168.8 | 170.3 | 151.1 | 0 | 110.8 | E36 V37 K42 R43 E44 | E36-K40 PolarHBondContact O-N 2.86Å; E36-K40 WeakPolarHBondContact OE1-CE 3.25Å; E36-K40 IonicContact OE1-NZ 2.66Å; E36-K40 PolarHBondContact OE1-NZ 3.13Å; V37-K40 PolarHBondContact O-N 3.4Å; K40-K42 VanDerWaalsContact C-N 3.26Å; K40-K42 PolarHBondContact O-N 3.36Å; K40-R43 WeakPolarHBondContact O-CB 3.5Å; K40-R43 PolarHBondContact O-N 3.39Å; K40-E44 PolarHBondContact O-N 3Å |
| 41 | Q | 46.1 | Very low | 44.1 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 58% | 0.579 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -56.5 | -37.5 | 177.8 | -162.2 | 178.4 | 24.1 | 0 | 0 | 112.8 | V37 R43 Q45 | V37-Q41 PolarHBondContact O-N 3.01Å; Q41-R43 PolarHBondContact O-N 2.94Å; Q41-Q45 PolarHBondContact O-N 2.87Å |
| 42 | K | 48 | Very low | 43.1 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -73.7 | -14.6 | 174.7 | -83.7 | -179.9 | 177.1 | 170.3 | 0 | 115.8 | L38 K40 | L38-K42 PolarHBondContact O-N 3.31Å; K40-K42 VanDerWaalsContact C-N 3.26Å; K40-K42 PolarHBondContact O-N 3.36Å |
| 43 | R | 47.9 | Very low | 42 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 68% | 0.679 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -84.3 | -46.7 | 171.4 | -78.2 | -175.3 | 177.7 | 92 | -11 | 111.2 | A39 K40 Q41 Q45 K46 | A39-R43 PolarHBondContact O-NH1 3.44Å; K40-R43 WeakPolarHBondContact O-CB 3.5Å; K40-R43 PolarHBondContact O-N 3.39Å; Q41-R43 PolarHBondContact O-N 2.94Å; R43-Q45 PolarHBondContact O-N 3.48Å; R43-K46 PolarHBondContact O-N 3.31Å |
| 44 | E | 39.1 | Very low | 41.1 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -69.9 | -34.3 | -173.8 | -72.8 | 161.3 | -160.9 | 0 | 0 | 112.3 | K40 K46 | K40-E44 PolarHBondContact O-N 3Å; E44-K46 PolarHBondContact O-N 2.94Å |
| 45 | Q | 38.8 | Very low | 40.5 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 80% | 0.804 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 12.8 | 175.8 | -150.6 | 178.7 | 36.4 | 0 | 0 | 114.6 | Q41 R43 | Q41-Q45 PolarHBondContact O-N 2.87Å; R43-Q45 PolarHBondContact O-N 3.48Å |
| 46 | K | 34.8 | Very low | 39.6 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 77% | 0.774 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.1 | 4.7 | -175 | -120.3 | -177.6 | -177.6 | -176.1 | 0 | 116.8 | R43 E44 | R43-K46 PolarHBondContact O-N 3.31Å; E44-K46 PolarHBondContact O-N 2.94Å |
| 47 | L | 38.3 | Very low | 38.6 | Very low | 148 Ų | 148 | 139.5 Ų | 139.5 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | -121.6 | 90.8 | 167.1 | -87.3 | 89.2 | 0 | 0 | 0 | 111.7 | ||||
| 48 | I | 30 | Very low | 37.1 | Very low | 175 Ų | 175 | 142 Ų | 142 | 90% | 0.897 | 70% | 0.703 | S | S | * | * | trans | -173 | 106.4 | 133.4 | -92 | 148.5 | 0 | 0 | 0 | 107.2 | ||||
| 49 | S | 27.5 | Very low | 35.8 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | -161.5 | 106 | 161.7 | -159.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 50 | T | 30.8 | Very low | 34.7 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | trans | 28.4 | 123.1 | 157.4 | 55.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 51 | K | 29.7 | Very low | 33.8 | Very low | 210 Ų | 210 | 156.4 Ų | 156.4 | 91% | 0.913 | 76% | 0.755 | S | S | * | * | trans | -85 | 128.8 | 159.3 | -67.2 | 176.6 | 178.5 | 174.1 | 0 | 111.2 | ||||
| 52 | T | 30.7 | Very low | 33.1 | Very low | 131 Ų | 131 | 157.2 Ų | 157.2 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -153.6 | 91.1 | 161 | 13.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 53 | D | 26.9 | Very low | 32.3 | Very low | 126 Ų | 126 | 158.6 Ų | 158.6 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | trans | 29.4 | 148.7 | 141 | -147.1 | 2 | 0 | 0 | 0 | 124.9 | ||||
| 54 | K | 30.9 | Very low | 31.7 | Very low | 153 Ų | 153 | 156.9 Ų | 156.9 | 67% | 0.665 | 77% | 0.767 | S | S | * | * | trans | 78.8 | 105.2 | 157.5 | -77.9 | 137.3 | -174.4 | 150.6 | 0 | 123.9 | ||||
| 55 | K | 32 | Very low | 31.4 | Very low | 180 Ų | 180 | 157.1 Ų | 157.1 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | 86.8 | 123.2 | 121.9 | -72.3 | -178.9 | 177.5 | 175 | 0 | 123.7 | |||||
| 56 | K | 31.2 | Very low | 31 | Very low | 195 Ų | 195 | 154.6 Ų | 154.6 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | trans | 78.1 | 106.7 | 133.3 | -77 | -166.4 | 171.8 | -168.3 | 0 | 123 | ||||
| 57 | A | 29.8 | Very low | 30.9 | Very low | 89 Ų | 89 | 152.4 Ų | 152.4 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | 93.4 | 127.6 | 105.4 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 58 | E | 25.4 | Very low | 30.5 | Very low | 146 Ų | 146 | 152.2 Ų | 152.2 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | trans | 81.1 | 130.3 | 139.4 | -70.4 | -127.3 | 105.9 | 0 | 0 | 125.3 | ||||
| 59 | K | 28.8 | Very low | 30.3 | Very low | 155 Ų | 155 | 150.8 Ų | 150.8 | 67% | 0.674 | 74% | 0.738 | S | S | * | * | trans | 59.5 | 120.6 | 143.5 | -69 | 167.8 | 176.7 | 138.7 | 0 | 120.1 | ||||
| 60 | K | 32.4 | Very low | 30.4 | Very low | 194 Ų | 194 | 148.6 Ų | 148.6 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | 68.3 | 104.4 | 65 | -84 | -172.6 | 169.1 | 175.2 | 0 | 116.5 | |||||
| 61 | K | 31.2 | Very low | 30.1 | Very low | 191 Ų | 191 | 149.7 Ų | 149.7 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | -179.8 | 127.4 | 122.2 | -97.1 | 164.1 | -177.7 | 177.2 | 0 | 108.7 | |||||
| 62 | N | 31.9 | Very low | 30 | Very low | 142 Ų | 142 | 146.3 Ų | 146.3 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | 72.4 | 148.9 | 79.2 | -62.3 | 4.7 | 0 | 0 | 0 | 112.4 | |||||
| 63 | K | 30.9 | Very low | 29.8 | Very low | 182 Ų | 182 | 149.3 Ų | 149.3 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | cis | -169.5 | 133.6 | 32.4 | -160.2 | -171.7 | -178.6 | -175.4 | 0 | 114.1 | ||||
| 64 | K | 34.5 | Very low | 29.7 | Very low | 144 Ų | 144 | 149.8 Ų | 149.8 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | trans | 52.1 | 169.9 | 148.8 | -75.1 | -162.3 | 156.7 | -153 | 0 | 119.1 | E66 | K64-E66 IonicContact NZ-OE1 2.76Å; K64-E66 PolarHBondContact NZ-OE1 2.81Å; K64-E66 IonicContact NZ-OE2 3.98Å; K64-E66 PolarHBondContact NZ-OE2 3.35Å | ||
| 65 | K | 33.2 | Very low | 29.7 | Very low | 155 Ų | 155 | 147 Ų | 147 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | cis | -150.4 | 128.8 | 13.9 | -142.4 | 147 | -176.6 | -63.8 | 0 | 107.4 | ||||
| 66 | E | 30 | Very low | 29.4 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 56% | 0.556 | 73% | 0.726 | S | S | * | * | 86.8 | 157.3 | 57.2 | -176.5 | -177.6 | -128.3 | 0 | 0 | 113.3 | K64 | K64-E66 IonicContact NZ-OE1 2.76Å; K64-E66 PolarHBondContact NZ-OE1 2.81Å; K64-E66 IonicContact NZ-OE2 3.98Å; K64-E66 PolarHBondContact NZ-OE2 3.35Å | |||
| 67 | I | 32.2 | Very low | 29.3 | Very low | 132 Ų | 132 | 140.6 Ų | 140.6 | 68% | 0.677 | 72% | 0.717 | S | S | * | * | trans | 94.8 | 125.4 | -175.1 | -59.7 | 171.1 | 0 | 0 | 0 | 112.1 | ||||
| 68 | Q | 31.6 | Very low | 28.9 | Very low | 145 Ų | 145 | 142.6 Ų | 142.6 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | cis | -161.2 | 166.9 | -13.4 | -124.2 | -179.9 | -99.6 | 0 | 0 | 112.2 | ||||
| 69 | N | 25.8 | Very low | 28.8 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | trans | 61.2 | 133.8 | 160.3 | -56.6 | -6.4 | 0 | 0 | 0 | 119.1 | ||||
| 70 | G | 28.7 | Very low | 29 | Very low | 65 Ų | 65 | 137 Ų | 137 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | cis | 165 | 164 | -8.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 71 | T | 24.6 | Very low | 29.1 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 89% | 0.89 | 69% | 0.692 | S | S | * | * | trans | 74.2 | 139 | 167.8 | -49.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 72 | L | 26.9 | Very low | 29.1 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 73% | 0.728 | 67% | 0.674 | S | S | * | * | cis | -173.2 | 133.6 | -23.7 | 178.1 | 80.4 | 0 | 0 | 0 | 109.7 | ||||
| 73 | R | 27 | Very low | 28.7 | Very low | 194 Ų | 194 | 130.1 Ų | 130.1 | 73% | 0.732 | 67% | 0.673 | S | S | * | * | trans | 61.2 | 156.7 | 160.1 | -84.7 | -173 | -178.2 | -124.4 | -3.9 | 118.8 | ||||
| 74 | E | 25.7 | Very low | 28.3 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 64% | 0.64 | 67% | 0.668 | S | S | * | * | cis | -157.4 | -168.7 | -21.6 | -146.2 | 152.9 | -141.2 | 0 | 0 | 111.1 | ||||
| 75 | S | 30.6 | Very low | 28 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 65% | 0.65 | 67% | 0.672 | S | S | * | * | trans | -61.9 | 148.4 | -168.5 | -85.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 76 | D | 24.8 | Very low | 27.7 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 79% | 0.791 | 68% | 0.676 | S | S | * | * | 41.9 | 156.3 | 120.6 | -46.6 | -59.9 | 0 | 0 | 0 | 124.1 | |||||
| 77 | S | 28.5 | Very low | 27.5 | Very low | 94 Ų | 94 | 128.5 Ų | 128.5 | 66% | 0.657 | 68% | 0.683 | S | S | * | * | trans | 98.8 | 121.7 | 142.9 | 146.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 78 | E | 23 | Very low | 27.1 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 61% | 0.607 | 69% | 0.69 | S | S | * | * | 71.3 | 116.6 | 129.7 | -66.8 | 169.2 | 118 | 0 | 0 | 125.7 | |||||
| 79 | H | 22.6 | Very low | 26.7 | Very low | 90 Ų | 90 | 127.2 Ų | 127.2 | 42% | 0.417 | 70% | 0.695 | S | S | . | * | 87 | 136.5 | 113.4 | -151.5 | -88.4 | 0 | 0 | 0 | 122.7 | Q587 F591 | H79-Q587 VanDerWaalsContact CD2-CD 3.42Å; H79-Q587 PolarHBondContact CD2-OE1 3.48Å; H79-Q587 PolarHBondContact NE2-OE1 3.14Å; H79-F591 AromaticContact NE2-CE2 3.36Å; H79-F591 WeakPolarHBondContact NE2-CE2 3.21Å; H79-F591 AromaticContact NE2-CZ 3.44Å; H79-F591 WeakPolarHBondContact NE2-CZ 3.46Å | |||
| 80 | V | 33.5 | Very low | 26.8 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 56% | 0.564 | 70% | 0.696 | S | S | * | * | trans | -55 | 147.6 | 170.6 | 167.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 81 | P | 33.6 | Very low | 27.5 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 83% | 0.825 | 70% | 0.701 | S | S | * | * | -122.5 | 156.7 | 117.7 | -6.5 | 26.3 | 0 | 0 | 0 | 114.9 | |||||
| 82 | R | 32.6 | Very low | 27.8 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 45% | 0.449 | 69% | 0.69 | S | S | . | * | trans | -95.9 | 156.5 | 167 | -178.1 | -165.4 | -71.9 | -156 | -4.1 | 108.1 | Q594 | R82-Q594 VanDerWaalsContact CZ-CD 3.43Å; R82-Q594 VanDerWaalsContact CZ-OE1 3.27Å | ||
| 83 | D | 22.2 | Very low | 27.9 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | trans | -178.8 | -166 | 131 | -90 | -7.3 | 0 | 0 | 0 | 114 | ||||
| 84 | F | 22.8 | Very low | 28.3 | Very low | 155 Ų | 155 | 125.3 Ų | 125.3 | 68% | 0.68 | 70% | 0.7 | S | S | * | * | -141 | 134 | -126.8 | -126.4 | -125.6 | 0 | 0 | 0 | 114.6 | |||||
| 85 | K | 27.2 | Very low | 28.5 | Very low | 166 Ų | 166 | 125.7 Ų | 125.7 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | trans | 59.6 | 119.1 | 133.9 | -130.4 | -171.2 | -165.5 | -178 | 0 | 121.4 | ||||
| 86 | L | 27.6 | Very low | 28.3 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | 154.8 | 141.7 | 113.3 | -84.8 | 166.8 | 0 | 0 | 0 | 116.7 | |||||
| 87 | S | 26.7 | Very low | 28.3 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | trans | 59.6 | 161.9 | 150.6 | -52.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 88 | D | 23.4 | Very low | 28 | Very low | 154 Ų | 154 | 130 Ų | 130 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | cis | -156.7 | 176.8 | 0.4 | -140.3 | -31.7 | 0 | 0 | 0 | 114.3 | ||||
| 89 | A | 23.5 | Very low | 29.1 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 79% | 0.793 | 71% | 0.713 | S | S | * | * | trans | 82.9 | 161.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 90 | S | 27.8 | Very low | 29.1 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | -136 | -156.9 | -164.9 | 70.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 91 | P | 43.6 | Very low | 30.1 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | cis | -121.1 | -140.5 | 10.7 | 28.7 | -0.9 | 0 | 0 | 0 | 112.8 | ||||
| 92 | A | 29.7 | Very low | 30 | Very low | 78 Ų | 78 | 132.9 Ų | 132.9 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | cis | -162.7 | 167.1 | 5.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 93 | E | 29.8 | Very low | 30 | Very low | 184 Ų | 184 | 133.6 Ų | 133.6 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | trans | 30.1 | 157.5 | 142.1 | -65.8 | 166.6 | -161.7 | 0 | 0 | 125.1 | ||||
| 94 | D | 34.5 | Very low | 30.2 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | cis | -170.7 | -178.2 | -42 | -137.2 | -44.6 | 0 | 0 | 0 | 113.6 | ||||
| 95 | E | 29.5 | Very low | 30.6 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | trans | 93.9 | 115.3 | 155.6 | -65.5 | -127.3 | 106.6 | 0 | 0 | 126.1 | ||||
| 96 | Q | 27.4 | Very low | 30.6 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 62% | 0.621 | 75% | 0.752 | S | S | * | * | 96 | 136.5 | 125.3 | -75 | -171.6 | 17 | 0 | 0 | 129.4 | |||||
| 97 | F | 23.9 | Very low | 30.6 | Very low | 168 Ų | 168 | 128.5 Ų | 128.5 | 74% | 0.737 | 75% | 0.753 | S | S | * | * | trans | 52.9 | 118.1 | 156.9 | -68.2 | -61.4 | 0 | 0 | 0 | 123.9 | ||||
| 98 | V | 22.4 | Very low | 30.7 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | 73.1 | 143.4 | 67.8 | 169.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 99 | P | 46 | Very low | 30.6 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | cis | -131.8 | -172.4 | 22.6 | 23.9 | 3 | 0 | 0 | 0 | 118.5 | ||||
| 100 | A | 24.2 | Very low | 30.7 | Very low | 86 Ų | 86 | 127 Ų | 127 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | -110.9 | -157.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 101 | P | 53.5 | Low | 30.6 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | -136.9 | -110.9 | 94.7 | 29.8 | -9.2 | 0 | 0 | 0 | 117.6 | |||||
| 102 | L | 31.9 | Very low | 29.8 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 86% | 0.859 | 75% | 0.747 | S | S | * | * | trans | -157.1 | 162.5 | -143.2 | -72.7 | 173.8 | 0 | 0 | 0 | 112.2 | ||||
| 103 | N | 31.8 | Very low | 29.6 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | cis | -144.3 | -130.2 | -18.5 | -173.5 | 15.5 | 0 | 0 | 0 | 107.5 | ||||
| 104 | V | 27.5 | Very low | 29.6 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | cis | -151.4 | 123.9 | 1.6 | 177.7 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 105 | A | 30.2 | Very low | 29.2 | Very low | 67 Ų | 67 | 140.9 Ų | 140.9 | 55% | 0.554 | 76% | 0.758 | S | S | * | * | 71.5 | 141.8 | 76.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 106 | E | 28 | Very low | 29.3 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | cis | -144 | -153.8 | 12.4 | -147.6 | 152.8 | -113.2 | 0 | 0 | 115.4 | ||||
| 107 | T | 27.5 | Very low | 29.4 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | -113.9 | -174.9 | -139.5 | 58.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 108 | S | 27.9 | Very low | 29.6 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | cis | -165.9 | 174.3 | 22.3 | 75.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 109 | S | 23 | Very low | 30 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | cis | -172.5 | 166.9 | -33.5 | 60.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 110 | S | 25.3 | Very low | 29.5 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | trans | 70.1 | 146.3 | 165.4 | -119.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 111 | V | 24.8 | Very low | 29.7 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | cis | -136.2 | 124.4 | 16.6 | 173.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 112 | R | 26.1 | Very low | 28.4 | Very low | 205 Ų | 205 | 152.1 Ų | 152.1 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | trans | 43.1 | 133.4 | 131.4 | -138.8 | 164.7 | -168.7 | 159.6 | 14.1 | 121.1 | ||||
| 113 | E | 25.8 | Very low | 28.4 | Very low | 148 Ų | 148 | 150.3 Ų | 150.3 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | cis | -157 | 165.6 | -3.4 | -126.3 | 161.7 | -145.1 | 0 | 0 | 112 | ||||
| 114 | R | 30.3 | Very low | 28.1 | Very low | 247 Ų | 247 | 147.4 Ų | 147.4 | 93% | 0.932 | 74% | 0.744 | S | S | * | * | trans | -147.5 | 160.3 | 170.3 | -81.2 | 178.8 | 168.9 | 159.7 | -5.6 | 109.7 | ||||
| 115 | K | 25.9 | Very low | 28 | Very low | 216 Ų | 216 | 149.9 Ų | 149.9 | 94% | 0.939 | 75% | 0.752 | S | S | * | * | trans | -136.3 | 171.9 | 172 | -122.9 | 179 | -177.9 | -179.8 | 0 | 115.7 | ||||
| 116 | K | 32.7 | Very low | 27.9 | Very low | 197 Ų | 197 | 155.2 Ų | 155.2 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | trans | -147.4 | 161.2 | -155.2 | -92.4 | 177.3 | 176.9 | 177.1 | 0 | 110.4 | ||||
| 117 | K | 29.1 | Very low | 27.8 | Very low | 166 Ų | 166 | 155.6 Ų | 155.6 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | cis | -155 | 175.7 | -6.1 | -148.2 | -154.1 | 177.3 | -151.9 | 0 | 110.6 | ||||
| 118 | E | 26.9 | Very low | 27.8 | Very low | 114 Ų | 114 | 157.6 Ų | 157.6 | 53% | 0.533 | 77% | 0.768 | S | S | . | * | trans | -18 | 130.3 | 156.8 | -87 | -170.5 | 112.1 | 0 | 0 | 121.4 | ||||
| 119 | K | 32.5 | Very low | 27.5 | Very low | 159 Ų | 159 | 158.5 Ų | 158.5 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | 73.9 | 121.6 | 102.3 | -161.3 | -178.9 | 179.3 | 178.6 | 0 | 122.9 | |||||
| 120 | K | 35.2 | Very low | 27.5 | Very low | 190 Ų | 190 | 161 Ų | 161 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | 55.6 | 126.5 | 148 | -72.5 | -170.5 | 172.1 | -167 | 0 | 122.2 | ||||
| 121 | Q | 28.3 | Very low | 27.4 | Very low | 173 Ų | 173 | 163.2 Ų | 163.2 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | -176.5 | 168.5 | 128.9 | -110.6 | -168.7 | 106 | 0 | 0 | 110.6 | |||||
| 122 | K | 24.9 | Very low | 27.2 | Very low | 144 Ų | 144 | 164.4 Ų | 164.4 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | cis | -120.3 | -107.9 | -14 | -163.5 | -171 | -169.4 | -164.7 | 0 | 109.3 | S124 | K122-S124 VanDerWaalsContact CE-OG 3.32Å; K122-S124 WeakPolarHBondContact CE-OG 3.48Å; K122-S124 PolarHBondContact NZ-OG 3.36Å | ||
| 123 | P | 33.6 | Very low | 27.1 | Very low | 127 Ų | 127 | 160.3 Ų | 160.3 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | cis | -96.8 | -165.2 | -23.4 | 41.8 | -33.2 | 0 | 0 | 0 | 112.8 | ||||
| 124 | S | 23.9 | Very low | 26.8 | Very low | 73 Ų | 73 | 160.9 Ų | 160.9 | 51% | 0.51 | 78% | 0.775 | S | S | . | * | trans | -171.3 | 156.7 | -177 | 57.1 | 0 | 0 | 0 | 0 | 112.4 | K122 | K122-S124 VanDerWaalsContact CE-OG 3.32Å; K122-S124 WeakPolarHBondContact CE-OG 3.48Å; K122-S124 PolarHBondContact NZ-OG 3.36Å | ||
| 125 | L | 27.1 | Very low | 26.6 | Very low | 173 Ų | 173 | 153 Ų | 153 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | trans | -157.1 | 168.6 | 153.3 | -115.2 | 160.8 | 0 | 0 | 0 | 111 | ||||
| 126 | E | 26.9 | Very low | 26.6 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | -125.2 | -174.5 | -162.3 | -68 | 176.9 | 90.4 | 0 | 0 | 112.9 | ||||
| 127 | E | 25.2 | Very low | 26.2 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | trans | 85.2 | 160.1 | 164 | -148.3 | 171.9 | -141.1 | 0 | 0 | 118.4 | ||||
| 128 | Q | 27.6 | Very low | 26.2 | Very low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | -159.1 | 164.5 | -77.9 | -149.7 | 178.1 | 91.6 | 0 | 0 | 109.6 | |||||
| 129 | V | 21.7 | Very low | 27.2 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 76.7 | 158.1 | 163.7 | -173.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 130 | I | 23 | Very low | 26.9 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | 78.2 | 99.8 | -173.6 | -47.7 | 177.3 | 0 | 0 | 0 | 112.7 | ||||
| 131 | K | 24.4 | Very low | 26.5 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | cis | 89 | 119.9 | 28.3 | -155.8 | 176.5 | -173 | -88.2 | 0 | 114.5 | ||||
| 132 | E | 21.1 | Very low | 26.2 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | 74.6 | 127.3 | 160.5 | -86.2 | 156.2 | -148.3 | 0 | 0 | 122.9 | ||||
| 133 | S | 22.5 | Very low | 26.2 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | 73.2 | 163.2 | 140 | 73.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 134 | D | 20.9 | Very low | 25.4 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | cis | -157.6 | 174.8 | -49.4 | -162.6 | 6.3 | 0 | 0 | 0 | 108.6 | ||||
| 135 | A | 25.6 | Very low | 26.9 | Very low | 81 Ų | 81 | 146.7 Ų | 146.7 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | trans | -75.2 | 149.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 136 | S | 26.5 | Very low | 26.6 | Very low | 100 Ų | 100 | 144.5 Ų | 144.5 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -153.3 | 124.8 | 135.2 | -156.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 137 | K | 24.5 | Very low | 26.5 | Very low | 190 Ų | 190 | 143 Ų | 143 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | cis | 87.8 | 156.5 | 26 | -159.3 | 175.2 | -172.4 | 170.5 | 0 | 113.9 | ||||
| 138 | I | 29 | Very low | 26.5 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | trans | 112.4 | 140.8 | 164.9 | -62.7 | 158 | 0 | 0 | 0 | 113.7 | ||||
| 139 | P | 46.4 | Very low | 26.4 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 84% | 0.844 | 76% | 0.761 | S | S | * | * | cis | -96.1 | 179.6 | -13.2 | 7.8 | 15 | 0 | 0 | 0 | 111.4 | ||||
| 140 | G | 26.4 | Very low | 26.5 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | cis | 148.2 | 146.6 | 3.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 141 | K | 26.8 | Very low | 26.7 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | cis | -169.3 | 137.1 | 16.3 | -173.8 | -177.9 | -172.7 | 178 | 0 | 111.8 | ||||
| 142 | K | 21.6 | Very low | 27.7 | Very low | 196 Ų | 196 | 137.9 Ų | 137.9 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | trans | 71.3 | 174 | 157.9 | -90.3 | -162.5 | 170.7 | -160.3 | 0 | 121.8 | ||||
| 143 | V | 24.8 | Very low | 28 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 74% | 0.739 | 77% | 0.768 | S | S | * | * | trans | -150.1 | 152.8 | -159.2 | 161.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 144 | E | 18.5 | Very low | 29.4 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 64.7 | 162.7 | 168.7 | -82.5 | -170 | 123.7 | 0 | 0 | 119.1 | ||||
| 145 | P | 53.6 | Low | 30.6 | Very low | 100 Ų | 100 | 133.1 Ų | 133.1 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | cis | -142.9 | -170.3 | -48.1 | 41.4 | -23.1 | 0 | 0 | 0 | 114.4 | ||||
| 146 | V | 22.5 | Very low | 32 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | 79.8 | 134 | 145.9 | 155.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 147 | L | 24.7 | Very low | 33.3 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | trans | 60.6 | 111.9 | 156 | -101 | 79.9 | 0 | 0 | 0 | 125.6 | ||||
| 148 | V | 24.6 | Very low | 33.4 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | 83 | 144.9 | 110.9 | 153.7 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 149 | T | 24.5 | Very low | 33.3 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | 86.6 | 123.9 | 158.9 | 35.4 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 150 | K | 25.6 | Very low | 32.3 | Very low | 182 Ų | 182 | 132.2 Ų | 132.2 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | 71.4 | 111 | 135 | -68.5 | 170 | -179.8 | 177 | 0 | 122.9 | ||||
| 151 | Q | 27.1 | Very low | 32.3 | Very low | 177 Ų | 177 | 133.5 Ų | 133.5 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | 30.8 | 161.8 | 102.3 | -82 | -167.1 | -30 | 0 | 0 | 121.5 | |||||
| 152 | P | 45.5 | Very low | 32.1 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | cis | -148.8 | 159.8 | -28.6 | 39.4 | -21 | 0 | 0 | 0 | 117.8 | ||||
| 153 | A | 26.5 | Very low | 32.3 | Very low | 96 Ų | 96 | 126 Ų | 126 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | trans | 50.9 | -154.4 | 144.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 154 | P | 51.6 | Low | 32.2 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | cis | -123.9 | -155.2 | -24.2 | 43.2 | -25.2 | 0 | 0 | 0 | 110.8 | ||||
| 155 | P | 46.1 | Very low | 32.6 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | cis | -126.7 | 179 | -5.4 | 40.8 | -21.4 | 0 | 0 | 0 | 116.3 | ||||
| 156 | P | 55.8 | Low | 31.2 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | -86.4 | -112.2 | -162.6 | 33.4 | -27.7 | 0 | 0 | 0 | 116.5 | ||||
| 157 | P | 52.4 | Low | 31.4 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | cis | -137.9 | 156.2 | 9 | 43 | -23.5 | 0 | 0 | 0 | 119.3 | ||||
| 158 | L | 26.7 | Very low | 31.4 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 60.1 | 157.6 | 140.5 | -62.3 | 168.9 | 0 | 0 | 0 | 122.2 | ||||
| 159 | E | 26.9 | Very low | 31.6 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | cis | -168.8 | 167.3 | -32.5 | -152 | 172.9 | -139.9 | 0 | 0 | 111.5 | ||||
| 160 | A | 26.7 | Very low | 31.7 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | trans | 55.9 | 117 | 149.9 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 161 | A | 25.6 | Very low | 31.7 | Very low | 100 Ų | 100 | 136 Ų | 136 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | 75.2 | 146.8 | 122.4 | 0 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 162 | A | 23.9 | Very low | 31.7 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | 79.3 | 106.4 | 144.3 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 163 | L | 24.9 | Very low | 30.9 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | 39.7 | 133.4 | 129.3 | -95.3 | 69.8 | 0 | 0 | 0 | 124.4 | |||||
| 164 | K | 23.5 | Very low | 30.9 | Very low | 183 Ų | 183 | 138 Ų | 138 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | 92.7 | 143.6 | 134.3 | -81.1 | 173.8 | 178.3 | 165.2 | 0 | 122.6 | ||||
| 165 | K | 25.2 | Very low | 29.7 | Very low | 195 Ų | 195 | 135.9 Ų | 135.9 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | 86.6 | 95.9 | 153.6 | -78.7 | -179.7 | 175.2 | -178.9 | 0 | 121.9 | ||||
| 166 | K | 25.6 | Very low | 28.8 | Very low | 208 Ų | 208 | 135 Ų | 135 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | 21.2 | 127.5 | 122.4 | -73.9 | -175.9 | 171.3 | -179.1 | 0 | 119.8 | |||||
| 167 | A | 25.8 | Very low | 27.3 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | 156.5 | 148.1 | 102.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 168 | G | 25.6 | Very low | 26 | Very low | 67 Ų | 67 | 139 Ų | 139 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | cis | 160.7 | -178.8 | -8.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 169 | Q | 28.8 | Very low | 26.1 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | 74 | 146.1 | 175.1 | -57.5 | -166.2 | 25.5 | 0 | 0 | 116.7 | ||||
| 170 | K | 25.6 | Very low | 26 | Very low | 169 Ų | 169 | 135.5 Ų | 135.5 | 74% | 0.735 | 75% | 0.753 | S | S | * | * | cis | -141.7 | 139.4 | 0.5 | -111.5 | 146.2 | 174.1 | 165.6 | 0 | 107.8 | ||||
| 171 | K | 26.5 | Very low | 26.4 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | 52.2 | 141 | 88.4 | -74.4 | -172.8 | 172.7 | -177 | 0 | 114.7 | |||||
| 172 | S | 27.4 | Very low | 26.5 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | cis | -114.8 | 158.4 | 22.4 | 40.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 173 | K | 27.8 | Very low | 26.7 | Very low | 168 Ų | 168 | 145 Ų | 145 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | cis | 79.6 | 135.9 | 41.6 | -143.7 | -163.8 | 178.2 | -95.9 | 0 | 111.8 | ||||
| 174 | N | 26.4 | Very low | 26.7 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | cis | -116.3 | -175 | 10 | -44.7 | -73.1 | 0 | 0 | 0 | 111.2 | ||||
| 175 | G | 27 | Very low | 26.9 | Very low | 72 Ų | 72 | 143.2 Ų | 143.2 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | cis | 142 | 154.8 | 8.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 176 | S | 26.1 | Very low | 26.8 | Very low | 95 Ų | 95 | 140.5 Ų | 140.5 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | cis | -164.4 | 167.7 | 5.8 | -129.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 177 | E | 24.2 | Very low | 26.8 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | 35.3 | 149.3 | 146.9 | -71.6 | 126.2 | -175.1 | 0 | 0 | 123.1 | ||||
| 178 | E | 25.1 | Very low | 27.2 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | cis | -168.8 | 166.9 | -13.2 | -115 | -168.2 | 143.5 | 0 | 0 | 112.3 | ||||
| 179 | Q | 28.7 | Very low | 27.6 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | trans | 36.3 | 146.6 | 143.5 | -65.9 | -170.5 | 45.1 | 0 | 0 | 122.7 | ||||
| 180 | D | 26.1 | Very low | 27.5 | Very low | 96 Ų | 96 | 138 Ų | 138 | 51% | 0.513 | 74% | 0.736 | S | S | . | * | cis | -165.2 | 154.3 | 0.3 | -136.3 | -21.2 | 0 | 0 | 0 | 114.5 | ||||
| 181 | K | 35.2 | Very low | 27.7 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 49.4 | 152.2 | 154.7 | -70.9 | 144.3 | -164.1 | 156.3 | 0 | 120.5 | ||||
| 182 | K | 27.4 | Very low | 27.6 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | cis | -152.4 | 121.6 | 18.1 | -164.7 | -177.7 | 175.5 | -170.4 | 0 | 107.9 | ||||
| 183 | V | 28.8 | Very low | 27.5 | Very low | 114 Ų | 114 | 143 Ų | 143 | 69% | 0.691 | 75% | 0.749 | S | S | * | * | 53 | 122 | 87.1 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 184 | E | 24.8 | Very low | 27.3 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | cis | -153.4 | 138.8 | 48.1 | -149.8 | 152.2 | -167.7 | 0 | 0 | 109.6 | ||||
| 185 | M | 26.1 | Very low | 27.2 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | 68.2 | 136 | 63.1 | -134.6 | 166.6 | 59.6 | 0 | 0 | 112.8 | |||||
| 186 | L | 24.2 | Very low | 27 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | cis | -130.7 | 142.4 | 27 | -96.5 | 86.8 | 0 | 0 | 0 | 112.7 | ||||
| 187 | M | 26.2 | Very low | 26.8 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | 71.6 | 136.3 | 85.3 | -59.2 | -81.2 | -169 | 0 | 0 | 117.4 | |||||
| 188 | A | 34.1 | Very low | 26.7 | Very low | 93 Ų | 93 | 144.6 Ų | 144.6 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -124.6 | 147.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 189 | P | 33 | Very low | 26.6 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -135.8 | 179.3 | 154.9 | 36.5 | -20.8 | 0 | 0 | 0 | 114.1 | ||||
| 190 | S | 26.8 | Very low | 26.5 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -93 | 169.7 | -166.2 | -62 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 191 | K | 31.2 | Very low | 26.4 | Very low | 207 Ų | 207 | 147 Ų | 147 | 90% | 0.9 | 77% | 0.767 | S | S | * | * | trans | -22.2 | 146.1 | 163.8 | -56.7 | 175 | 177.2 | -179.8 | 0 | 117.5 | ||||
| 192 | E | 24.3 | Very low | 25.9 | Very low | 201 Ų | 201 | 144.1 Ų | 144.1 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | trans | -144.3 | -178.2 | 138.2 | -144.2 | 158.7 | -135 | 0 | 0 | 110.6 | ||||
| 193 | Q | 25.1 | Very low | 25.8 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -151.7 | 132.1 | -153.7 | 169.5 | -174.8 | -17.6 | 0 | 0 | 113.5 | ||||
| 194 | D | 22.3 | Very low | 25.8 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -174.2 | 176.4 | 156.8 | -106.4 | -13.2 | 0 | 0 | 0 | 111.1 | ||||
| 195 | V | 24.4 | Very low | 25.9 | Very low | 111 Ų | 111 | 149.7 Ų | 149.7 | 67% | 0.673 | 78% | 0.783 | S | S | * | * | -161.9 | 143.1 | -74.1 | 136.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 196 | L | 23.8 | Very low | 26 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | 59.6 | 116.2 | 160 | -163 | 75.5 | 0 | 0 | 0 | 121.7 | ||||
| 197 | L | 22.3 | Very low | 26.1 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | 155.1 | 121.1 | 146.1 | -88.1 | 160.7 | 0 | 0 | 0 | 107.4 | ||||
| 198 | S | 21.1 | Very low | 26.2 | Very low | 86 Ų | 86 | 144.2 Ų | 144.2 | 60% | 0.601 | 79% | 0.791 | S | S | * | * | cis | 96.5 | 106.2 | 16.4 | -151.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 199 | H | 23.5 | Very low | 25.8 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | 68.5 | 143.2 | 166.2 | -77 | -87.7 | 0 | 0 | 0 | 118.2 | ||||
| 200 | Q | 25.2 | Very low | 25.5 | Very low | 150 Ų | 150 | 146 Ų | 146 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | -159.9 | -175.6 | -7.5 | -156.7 | 166.3 | -38.3 | 0 | 0 | 111.7 | ||||
| 201 | D | 25.1 | Very low | 25.5 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | trans | 90.5 | 141 | 156.6 | -64.1 | -21.1 | 0 | 0 | 0 | 119 | ||||
| 202 | T | 25 | Very low | 25.3 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 69% | 0.687 | 79% | 0.785 | S | S | * | * | cis | -151.8 | 158.1 | -2.5 | 2.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 203 | K | 23.8 | Very low | 25.4 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 63.3 | 144.6 | 161.7 | -64.8 | 175.4 | -177.6 | -177 | 0 | 117 | ||||
| 204 | Q | 30 | Very low | 25.3 | Very low | 187 Ų | 187 | 142.3 Ų | 142.3 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | cis | 62.3 | 96.2 | -1.3 | -164.6 | 177.7 | 61.4 | 0 | 0 | 119.1 | ||||
| 205 | E | 27.5 | Very low | 25.4 | Very low | 200 Ų | 200 | 140 Ų | 140 | 94% | 0.935 | 77% | 0.774 | S | S | * | * | -167 | 137.8 | 120.5 | -165.2 | 165.4 | -139.1 | 0 | 0 | 107.4 | |||||
| 206 | G | 27.5 | Very low | 25.4 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | cis | -175 | 158.2 | -11.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 207 | G | 26.8 | Very low | 25.5 | Very low | 63 Ų | 63 | 145.4 Ų | 145.4 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | cis | 172.9 | -179.9 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 208 | L | 27.1 | Very low | 25.7 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 95% | 0.953 | 77% | 0.773 | S | S | * | * | trans | 62.9 | 138.3 | 170.7 | -56.9 | 101.1 | 0 | 0 | 0 | 119 | ||||
| 209 | G | 26.2 | Very low | 25.9 | Very low | 70 Ų | 70 | 149 Ų | 149 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | cis | 159.3 | 142 | -18.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 210 | K | 26.9 | Very low | 26 | Very low | 188 Ų | 188 | 145.6 Ų | 145.6 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | trans | 82.7 | 120.3 | 148.9 | -64.5 | 172.7 | -179.3 | 166.8 | 0 | 121.8 | ||||
| 211 | K | 26.9 | Very low | 25.8 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 81% | 0.809 | 79% | 0.786 | S | S | * | * | 90.1 | 129.1 | 128.8 | -80 | -178.5 | 175.3 | -176.8 | 0 | 121.9 | |||||
| 212 | K | 26.7 | Very low | 25.9 | Very low | 201 Ų | 201 | 148.8 Ų | 148.8 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | 32 | 119.1 | 138.6 | -68.7 | -168.4 | 171.3 | -168.1 | 0 | 118.8 | ||||
| 213 | G | 26.1 | Very low | 25.9 | Very low | 71 Ų | 71 | 149.7 Ų | 149.7 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | -77.1 | 161 | 159 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 214 | L | 22.3 | Very low | 26 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -163 | 142.7 | 165.9 | -147.6 | 81.4 | 0 | 0 | 0 | 110 | ||||
| 215 | S | 24.2 | Very low | 25.8 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 57 | 129.2 | 163.1 | -57.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 216 | K | 25.5 | Very low | 25.9 | Very low | 197 Ų | 197 | 139.4 Ų | 139.4 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | cis | 79.3 | 134.8 | 38.5 | -166.3 | 175.2 | -177.7 | 173.8 | 0 | 113.9 | ||||
| 217 | K | 25.4 | Very low | 25.9 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | trans | 81.1 | 146.4 | -169 | -69.5 | -177.4 | 150 | -142.6 | 0 | 113.2 | ||||
| 218 | Q | 26.5 | Very low | 25.9 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | cis | -150.5 | 139.5 | -0.7 | -137.1 | 168.5 | -102.3 | 0 | 0 | 108.8 | ||||
| 219 | K | 25.3 | Very low | 25.9 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | 19.7 | 132.1 | 95 | -90.5 | -155.2 | 174.4 | -170.7 | 0 | 114.9 | |||||
| 220 | S | 25.1 | Very low | 26.7 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | cis | 172 | 159.2 | 4.4 | 40 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 221 | E | 22.8 | Very low | 26.7 | Very low | 190 Ų | 190 | 145 Ų | 145 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -162.8 | 159.7 | 130.7 | -114.8 | 163.4 | 169.9 | 0 | 0 | 113.5 | ||||
| 222 | N | 26.3 | Very low | 26.8 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | -125.3 | 164.3 | 179.7 | -72.1 | -28.3 | 0 | 0 | 0 | 108.9 | ||||
| 223 | V | 24.3 | Very low | 26.8 | Very low | 132 Ų | 132 | 141 Ų | 141 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | 165.8 | 111.2 | 141.7 | 151.5 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 224 | A | 27.2 | Very low | 27 | Very low | 86 Ų | 86 | 142 Ų | 142 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | 70.5 | 148.2 | 55.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 225 | V | 24.5 | Very low | 27.2 | Very low | 118 Ų | 118 | 141.1 Ų | 141.1 | 72% | 0.715 | 77% | 0.766 | S | S | * | * | cis | -163.6 | 152.2 | 40.9 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 226 | L | 29.7 | Very low | 27.4 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 82% | 0.817 | 77% | 0.77 | S | S | * | * | trans | 61.6 | 121.9 | 158.9 | -77.4 | 165.5 | 0 | 0 | 0 | 122 | ||||
| 227 | V | 27.5 | Very low | 27.5 | Very low | 113 Ų | 113 | 143.4 Ų | 143.4 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | 160.1 | 138.3 | 89.8 | 125.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 228 | D | 27.5 | Very low | 27.8 | Very low | 157 Ų | 157 | 141.2 Ų | 141.2 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | 56.5 | 149.9 | 159.3 | -60.3 | -2.8 | 0 | 0 | 0 | 125.9 | ||||
| 229 | E | 26.6 | Very low | 28.2 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | trans | -131.4 | 158.9 | 179.9 | 159.2 | -179.4 | -155.1 | 0 | 0 | 105.7 | ||||
| 230 | P | 43.9 | Very low | 28.3 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | cis | -131.1 | -170.7 | 11.6 | 24.5 | 1.4 | 0 | 0 | 0 | 115.4 | ||||
| 231 | L | 26.6 | Very low | 28.6 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | 135.5 | 113.4 | 112.4 | -157.5 | 68.6 | 0 | 0 | 0 | 117.6 | |||||
| 232 | I | 28.3 | Very low | 28.8 | Very low | 135 Ų | 135 | 138 Ų | 138 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | trans | 77.8 | 124.1 | 146.8 | -77.7 | 173.3 | 0 | 0 | 0 | 122.9 | ||||
| 233 | H | 27.1 | Very low | 29 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | trans | 40.8 | 107.2 | 153.4 | -71.4 | -65 | 0 | 0 | 0 | 124.2 | ||||
| 234 | A | 30.4 | Very low | 29.3 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | 58.4 | 121.2 | 113.2 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 235 | T | 26.6 | Very low | 29.4 | Very low | 146 Ų | 146 | 135.6 Ų | 135.6 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | trans | -135.7 | 151.6 | 165.3 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 236 | T | 29.3 | Very low | 29.5 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | trans | -68.9 | 158.6 | -170.5 | -53.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 237 | Y | 27.4 | Very low | 29.5 | Very low | 218 Ų | 218 | 136.3 Ų | 136.3 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | -50.4 | 154.6 | 174.7 | -150.2 | -104.4 | 0 | 0 | 0 | 115.8 | ||||
| 238 | I | 30.4 | Very low | 29.4 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | -112 | 129.6 | 177.2 | -60 | 168.9 | 0 | 0 | 0 | 109.8 | ||||
| 239 | P | 35 | Very low | 29.4 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | trans | -101.4 | 138.5 | 164.5 | 35.5 | -28.3 | 0 | 0 | 0 | 111.9 | ||||
| 240 | L | 28.7 | Very low | 29.5 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | -154.4 | 128.7 | 171.8 | -102.2 | 168.2 | 0 | 0 | 0 | 111.1 | ||||
| 241 | D | 30.4 | Very low | 28.9 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | 55.4 | 155.4 | 154.8 | -58.3 | -11.3 | 0 | 0 | 0 | 120 | ||||
| 242 | N | 27.1 | Very low | 29.2 | Very low | 145 Ų | 145 | 140 Ų | 140 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | cis | -143.7 | 168 | 2.7 | -152.7 | -18.7 | 0 | 0 | 0 | 111.2 | ||||
| 243 | A | 30.6 | Very low | 29.5 | Very low | 75 Ų | 75 | 139.6 Ų | 139.6 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | trans | -105.7 | 177.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 244 | N | 30.4 | Very low | 29.5 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 74% | 0.738 | S | S | * | * | trans | 122.7 | 145.3 | 167.1 | -69.3 | -60 | 0 | 0 | 0 | 113.2 | ||||
| 245 | S | 30.4 | Very low | 29.6 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | cis | -146.4 | 143.4 | 13.2 | 57.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 246 | N | 26.8 | Very low | 29.6 | Very low | 139 Ų | 139 | 141 Ų | 141 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | trans | 31.3 | 130.7 | 143.9 | -58.1 | -31.1 | 0 | 0 | 0 | 121.4 | ||||
| 247 | L | 28.1 | Very low | 29.6 | Very low | 151 Ų | 151 | 141.8 Ų | 141.8 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | cis | 96.6 | 107.4 | 35.8 | -172.1 | 131.9 | 0 | 0 | 0 | 115 | ||||
| 248 | M | 25.8 | Very low | 29.7 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | trans | -147.6 | 141.2 | 154.4 | -91 | -80.2 | 173 | 0 | 0 | 104.4 | ||||
| 249 | M | 27.9 | Very low | 29.6 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 89% | 0.887 | 73% | 0.734 | S | S | * | * | cis | -135.7 | 137.1 | 27.6 | -168.2 | 171.4 | -169.8 | 0 | 0 | 112 | ||||
| 250 | D | 27.8 | Very low | 29.7 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 55% | 0.545 | 73% | 0.732 | S | S | . | * | trans | -93.5 | 149.6 | 169 | -153.3 | 2 | 0 | 0 | 0 | 106.5 | ||||
| 251 | K | 31.8 | Very low | 29.6 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 57% | 0.565 | 74% | 0.735 | S | S | * | * | cis | -173.3 | 172.9 | 49.9 | -141.4 | 139.7 | -168.5 | 132.3 | 0 | 106.6 | ||||
| 252 | R | 32.9 | Very low | 29.6 | Very low | 177 Ų | 177 | 143.1 Ų | 143.1 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | cis | -167.3 | 124.4 | 28.8 | 164.7 | 141.5 | -89.3 | 172.5 | -13.8 | 111.5 | ||||
| 253 | E | 34.4 | Very low | 29.7 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 60% | 0.598 | 74% | 0.736 | S | S | * | * | trans | 46.8 | 153.1 | 144 | -58.6 | 140.9 | -144.6 | 0 | 0 | 119.3 | ||||
| 254 | I | 28.1 | Very low | 29.7 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 74% | 0.744 | 75% | 0.745 | S | S | * | * | cis | -153.7 | 131.5 | 48.5 | -80.9 | 176.6 | 0 | 0 | 0 | 111.2 | ||||
| 255 | I | 31.2 | Very low | 29.4 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 50.4 | 111.6 | 148.4 | -62.5 | 172.7 | 0 | 0 | 0 | 117.9 | ||||
| 256 | D | 27.7 | Very low | 29.5 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | 61.2 | 146 | 76.9 | -95.5 | -8.9 | 0 | 0 | 0 | 115.1 | |||||
| 257 | M | 29.3 | Very low | 29.6 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | cis | -166.3 | 126.8 | -11.3 | -179 | 179.5 | 59.6 | 0 | 0 | 109.3 | ||||
| 258 | I | 28.7 | Very low | 29.5 | Very low | 171 Ų | 171 | 147 Ų | 147 | 88% | 0.877 | 74% | 0.742 | S | S | * | * | trans | -140.1 | 131.8 | 152.6 | -65.7 | -171.8 | 0 | 0 | 0 | 108.4 | ||||
| 259 | K | 29.4 | Very low | 29.5 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | trans | -101 | 161.6 | 173.9 | -98.9 | -173.1 | 175.8 | -178.1 | 0 | 111.5 | ||||
| 260 | P | 35.9 | Very low | 29.3 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 69% | 0.688 | 74% | 0.739 | S | S | * | * | trans | -89.5 | -163.1 | -167.2 | 39.6 | -39.9 | 0 | 0 | 0 | 113.6 | ||||
| 261 | D | 26.5 | Very low | 29.2 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | 100.9 | 133.2 | 168 | -63.1 | -16.8 | 0 | 0 | 0 | 116.1 | ||||
| 262 | H | 31.2 | Very low | 29 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | cis | -153.7 | 167 | -14.5 | -174.3 | -88.3 | 0 | 0 | 0 | 109.3 | E264 | H262-E264 PolarHBondContact O-N 3.31Š| ||
| 263 | V | 29.3 | Very low | 28.9 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -54.5 | 130.6 | 174.5 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 264 | E | 29.3 | Very low | 28.7 | Very low | 175 Ų | 175 | 145.9 Ų | 145.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -88.5 | 140.9 | -178.7 | -174.3 | 176.1 | -153.9 | 0 | 0 | 113.2 | H262 | H262-E264 PolarHBondContact O-N 3.31Š| ||
| 265 | G | 25.7 | Very low | 28.7 | Very low | 77 Ų | 77 | 148.2 Ų | 148.2 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -115.2 | 105.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 266 | I | 32.1 | Very low | 28.6 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | -63.5 | 134.8 | -168.5 | -58.9 | 157.6 | 0 | 0 | 0 | 113.9 | ||||
| 267 | Q | 27.5 | Very low | 28.6 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | -173.4 | 123 | 122 | -102.5 | 178 | 85.4 | 0 | 0 | 118.3 | |||||
| 268 | K | 27.7 | Very low | 28.9 | Very low | 166 Ų | 166 | 147.9 Ų | 147.9 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 78.7 | 125.1 | 135.8 | -76.8 | 169.5 | -179 | 160.5 | 0 | 123.6 | ||||
| 269 | S | 25.8 | Very low | 28.9 | Very low | 131 Ų | 131 | 145.3 Ų | 145.3 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | 87.7 | 146.9 | 137 | 79.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 270 | G | 24.1 | Very low | 29.3 | Very low | 78 Ų | 78 | 144.7 Ų | 144.7 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 138 | 81.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 271 | T | 25.7 | Very low | 29.1 | Very low | 131 Ų | 131 | 148.2 Ų | 148.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -81.4 | 134 | 175.7 | -32.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 272 | K | 27 | Very low | 29.3 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | 155.7 | 149.8 | 128.8 | -85.9 | 153.1 | -171.6 | 166.3 | 0 | 116.7 | |||||
| 273 | K | 29.3 | Very low | 29.6 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | 75.2 | 89.1 | 148.5 | -75.6 | 173.3 | 176.7 | -174 | 0 | 121.2 | ||||
| 274 | L | 30.3 | Very low | 30.1 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | 6.5 | 125.5 | 116.4 | -85.2 | 157.7 | 0 | 0 | 0 | 119.1 | I276 | L274-I276 HydrophobicContact CD2-CG1 4.43Š| |||
| 275 | K | 28.9 | Very low | 30.8 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -161.4 | 103.1 | 134.7 | -137.3 | 177.7 | 178.3 | -164.8 | 0 | 107.2 | ||||
| 276 | I | 28.6 | Very low | 32.4 | Very low | 125 Ų | 125 | 148 Ų | 148 | 64% | 0.641 | 77% | 0.768 | S | S | * | * | 54.7 | 106.6 | 83.1 | -55.4 | 169.3 | 0 | 0 | 0 | 112.3 | L274 | L274-I276 HydrophobicContact CD2-CG1 4.43Š| |||
| 277 | E | 28.6 | Very low | 33.5 | Very low | 194 Ų | 194 | 148.5 Ų | 148.5 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | trans | -142.4 | 153.3 | 132.2 | -151.1 | 149.6 | -116.8 | 0 | 0 | 108.2 | ||||
| 278 | T | 35.3 | Very low | 35.2 | Very low | 110 Ų | 110 | 149 Ų | 149 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | trans | -158 | 134.8 | -163 | -47.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 279 | D | 28 | Very low | 36.7 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | trans | -166 | 125.9 | 145.4 | -98.1 | -5.8 | 0 | 0 | 0 | 109.9 | ||||
| 280 | K | 37.5 | Very low | 38.7 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 74% | 0.735 | 73% | 0.728 | S | S | * | * | 65.4 | 130.9 | 99.9 | -61 | 177 | -163.2 | 123 | 0 | 112.6 | |||||
| 281 | E | 33.3 | Very low | 40.8 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 84% | 0.841 | 71% | 0.711 | S | S | * | * | cis | -148.5 | -167.7 | 40.3 | -143.9 | 167.9 | -173.4 | 0 | 0 | 114.2 | ||||
| 282 | N | 29.9 | Very low | 42.9 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 84% | 0.84 | 70% | 0.697 | S | S | * | * | trans | -83.8 | 175 | -173.8 | -48.9 | -73.1 | 0 | 0 | 0 | 112.4 | ||||
| 283 | A | 37.9 | Very low | 44.7 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 72% | 0.719 | 68% | 0.682 | S | S | * | * | cis | -157.5 | -178.3 | 14.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 284 | E | 39.9 | Very low | 46.5 | Very low | 181 Ų | 181 | 131.2 Ų | 131.2 | 85% | 0.846 | 66% | 0.662 | S | S | * | * | trans | 58.7 | 65.2 | 163.1 | -60 | -160.8 | 145.9 | 0 | 0 | 119.1 | ||||
| 285 | V | 42.8 | Very low | 48.3 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 69% | 0.685 | 66% | 0.659 | S | S | * | * | trans | -69.1 | 124.1 | 164.9 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | D289 | V285-D289 HydrophobicContact CG1-CB 3.69Š| ||
| 286 | K | 60.3 | Low | 50.1 | Low | 151 Ų | 151 | 128.5 Ų | 128.5 | 66% | 0.657 | 65% | 0.653 | S | S | * | * | trans | -82.4 | 160.7 | 179.1 | -62.9 | 158.4 | -175.2 | 164.4 | 0 | 110.4 | K288 D289 F290 | K286-K288 PolarHBondContact O-N 2.91Å; K286-K288 VanDerWaalsContact O-N 3.07Å; K286-D289 WeakPolarHBondContact CB-OD2 3.38Å; K286-D289 PolarHBondContact N-OD2 2.7Å; K286-D289 VanDerWaalsContact N-OD2 3.11Å; K286-D289 WeakPolarHBondContact O-CA 3.29Å; K286-D289 WeakPolarHBondContact O-CB 3.31Å; K286-D289 PolarHBondContact O-N 3.14Å; K286-F290 PolarHBondContact O-N 3.22Å | ||
| 287 | F | 55.2 | Low | 51.9 | Low | 154 Ų | 154 | 127.5 Ų | 127.5 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -54.9 | -32 | -179.3 | -178.3 | -104.9 | 0 | 0 | 0 | 113.7 | D289 L291 | F287-D289 VanDerWaalsContact C-N 3.32Å; F287-L291 HydrophobicContact CD1-CD1 4.07Å; F287-L291 HydrophobicContact CE1-CD1 3.61Å; F287-L291 HydrophobicContact CE1-CG 4.29Å; F287-L291 HydrophobicContact CZ-CD1 4.09Å; F287-L291 HydrophobicContact CZ-CG 4.38Å; F287-L291 WeakPolarHBondContact O-CG 3.28Å; F287-L291 PolarHBondContact O-N 2.93Å; F287-L291 VanDerWaalsContact O-N 3.09Å |
| 288 | K | 63.9 | Low | 53.1 | Low | 158 Ų | 158 | 126.8 Ų | 126.8 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65.1 | -35.2 | 173.7 | -167.3 | 178.5 | -176.6 | -177.4 | 0 | 112.7 | K286 L291 L292 | K286-K288 PolarHBondContact O-N 2.91Å; K286-K288 VanDerWaalsContact O-N 3.07Å; K288-L291 PolarHBondContact O-N 2.81Å; K288-L292 WeakPolarHBondContact O-CG 3.33Å; K288-L292 PolarHBondContact O-N 3.27Å |
| 289 | D | 57.6 | Low | 54.6 | Low | 65 Ų | 65 | 125.3 Ų | 125.3 | 35% | 0.348 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -81.8 | -32.1 | -178.6 | -48 | -38.5 | 0 | 0 | 0 | 110.6 | V285 K286 F287 L292 S293 | V285-D289 HydrophobicContact CG1-CB 3.69Å; K286-D289 WeakPolarHBondContact CB-OD2 3.38Å; K286-D289 PolarHBondContact N-OD2 2.7Å; K286-D289 VanDerWaalsContact N-OD2 3.11Å; K286-D289 WeakPolarHBondContact O-CA 3.29Å; K286-D289 WeakPolarHBondContact O-CB 3.31Å; K286-D289 PolarHBondContact O-N 3.14Å; F287-D289 VanDerWaalsContact C-N 3.32Å; D289-L292 PolarHBondContact O-N 3.04Å; D289-S293 WeakPolarHBondContact O-CB 3.49Å; D289-S293 PolarHBondContact O-N 3.42Å |
| 290 | F | 67.9 | Low | 56.7 | Low | 114 Ų | 114 | 122.4 Ų | 122.4 | 50% | 0.5 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -58.9 | -45.8 | 165.1 | 174.7 | -99.8 | 0 | 0 | 0 | 111.5 | K286 L292 S293 L294 | K286-F290 PolarHBondContact O-N 3.22Å; F290-L292 PolarHBondContact O-N 3.46Å; F290-S293 PolarHBondContact O-N 2.89Å; F290-L294 WeakPolarHBondContact O-CB 3.35Å; F290-L294 PolarHBondContact O-N 3.44Å |
| 291 | L | 68.3 | Low | 57.9 | Low | 84 Ų | 84 | 122.2 Ų | 122.2 | 44% | 0.44 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -66.8 | -32.8 | 175.8 | -71.9 | 174.6 | 0 | 0 | 0 | 113.3 | F287 K288 K295 | F287-L291 HydrophobicContact CD1-CD1 4.07Å; F287-L291 HydrophobicContact CE1-CD1 3.61Å; F287-L291 HydrophobicContact CE1-CG 4.29Å; F287-L291 HydrophobicContact CZ-CD1 4.09Å; F287-L291 HydrophobicContact CZ-CG 4.38Å; F287-L291 WeakPolarHBondContact O-CG 3.28Å; F287-L291 PolarHBondContact O-N 2.93Å; F287-L291 VanDerWaalsContact O-N 3.09Å; K288-L291 PolarHBondContact O-N 2.81Å; L291-K295 WeakPolarHBondContact O-CB 3.29Å; L291-K295 PolarHBondContact O-N 3Å; L291-K295 VanDerWaalsContact O-N 3.15Å |
| 292 | L | 70.3 | Confident | 59.7 | Low | 98 Ų | 98 | 119.6 Ų | 119.6 | 51% | 0.513 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.5 | -42.9 | 172.2 | -80.1 | 162.5 | 0 | 0 | 0 | 111.7 | K288 D289 F290 K295 T296 | K288-L292 WeakPolarHBondContact O-CG 3.33Å; K288-L292 PolarHBondContact O-N 3.27Å; D289-L292 PolarHBondContact O-N 3.04Å; F290-L292 PolarHBondContact O-N 3.46Å; L292-K295 WeakPolarHBondContact O-CA 3.47Å; L292-K295 WeakPolarHBondContact O-CB 3.43Å; L292-K295 PolarHBondContact O-N 3.4Å; L292-K295 VanDerWaalsContact O-N 3.11Å; L292-T296 PolarHBondContact O-N 3.05Å; L292-T296 VanDerWaalsContact O-N 3.1Å; L292-T296 PolarHBondContact O-OG1 2.91Å |
| 293 | S | 65.8 | Low | 61.8 | Low | 68 Ų | 68 | 116.7 Ų | 116.7 | 48% | 0.476 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64 | -42.4 | 175.8 | -167.8 | 0 | 0 | 0 | 0 | 112 | D289 F290 K295 T296 M297 | D289-S293 WeakPolarHBondContact O-CB 3.49Å; D289-S293 PolarHBondContact O-N 3.42Å; F290-S293 PolarHBondContact O-N 2.89Å; S293-K295 PolarHBondContact O-N 2.85Å; S293-T296 PolarHBondContact O-N 3.23Å; S293-T296 VanDerWaalsContact O-N 3.12Å; S293-T296 PolarHBondContact O-OG1 3.06Å; S293-M297 WeakPolarHBondContact O-CB 3.42Å; S293-M297 PolarHBondContact O-N 3.35Å |
| 294 | L | 67.1 | Low | 63.4 | Low | 80 Ų | 80 | 114.3 Ų | 114.3 | 42% | 0.419 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.3 | -24.8 | 173.5 | -159.5 | 77.2 | 0 | 0 | 0 | 112.6 | F290 F299 | F290-L294 WeakPolarHBondContact O-CB 3.35Å; F290-L294 PolarHBondContact O-N 3.44Å; L294-F299 HydrophobicContact CD1-CZ 4.04Å |
| 295 | K | 68.1 | Low | 64.9 | Low | 179 Ų | 179 | 109.9 Ų | 109.9 | 78% | 0.778 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -83.8 | -21.1 | 175.9 | -177.7 | 176.5 | 176.4 | -177.2 | 0 | 113.3 | L291 L292 S293 | L291-K295 WeakPolarHBondContact O-CB 3.29Å; L291-K295 PolarHBondContact O-N 3Å; L291-K295 VanDerWaalsContact O-N 3.15Å; L292-K295 WeakPolarHBondContact O-CA 3.47Å; L292-K295 WeakPolarHBondContact O-CB 3.43Å; L292-K295 PolarHBondContact O-N 3.4Å; L292-K295 VanDerWaalsContact O-N 3.11Å; S293-K295 PolarHBondContact O-N 2.85Å |
| 296 | T | 66.4 | Low | 66.5 | Low | 115 Ų | 115 | 108.9 Ų | 108.9 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -103.9 | -9 | 175.8 | 47.4 | 0 | 0 | 0 | 0 | 114.2 | L292 S293 M298 | L292-T296 PolarHBondContact O-N 3.05Å; L292-T296 VanDerWaalsContact O-N 3.1Å; L292-T296 PolarHBondContact O-OG1 2.91Å; S293-T296 PolarHBondContact O-N 3.23Å; S293-T296 VanDerWaalsContact O-N 3.12Å; S293-T296 PolarHBondContact O-OG1 3.06Å; T296-M298 PolarHBondContact O-N 2.94Å |
| 297 | M | 66.1 | Low | 67 | Low | 104 Ų | 104 | 104.7 Ų | 104.7 | 51% | 0.512 | 54% | 0.539 | S | S | . | . | trans | -75.8 | 113.9 | 175.5 | -170.4 | 168.5 | -173.1 | 0 | 0 | 111.1 | S293 F299 | S293-M297 WeakPolarHBondContact O-CB 3.42Å; S293-M297 PolarHBondContact O-N 3.35Å; M297-F299 PolarHBondContact O-N 3.38Å | ||
| 298 | M | 53.7 | Low | 67.8 | Low | 179 Ų | 179 | 100.5 Ų | 100.5 | 88% | 0.882 | 53% | 0.526 | S | S | * | . | trans | -79.6 | 111.2 | 168 | -61.9 | -138.2 | -54.2 | 0 | 0 | 109.6 | T296 | T296-M298 PolarHBondContact O-N 2.94Š| ||
| 299 | F | 67.4 | Low | 68.4 | Low | 79 Ų | 79 | 97 Ų | 97 | 35% | 0.346 | 52% | 0.515 | S | S | . | . | trans | -72 | 143 | 169.8 | -59.5 | -87 | 0 | 0 | 0 | 110.5 | L294 M297 E303 A304 V307 | L294-F299 HydrophobicContact CD1-CZ 4.04Å; M297-F299 PolarHBondContact O-N 3.38Å; F299-E303 HydrophobicContact CB-CB 4.38Å; F299-E303 HydrophobicContact CD1-CB 4.25Å; F299-A304 HydrophobicContact CB-CB 3.89Å; F299-A304 HydrophobicContact CG-CB 4.43Å; F299-V307 HydrophobicContact CD1-CG2 4.46Å; F299-V307 HydrophobicContact CE1-CG2 3.96Å | ||
| 300 | S | 72.2 | Confident | 69.2 | Low | 56 Ų | 56 | 98.7 Ų | 98.7 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | trans | -68.4 | 161.6 | 154.2 | 64.2 | 0 | 0 | 0 | 0 | 110.5 | D302 E303 A304 | S300-D302 VanDerWaalsContact C-N 3.28Å; S300-D302 PolarHBondContact O-N 3.05Å; S300-E303 VanDerWaalsContact CB-OE2 3.3Å; S300-E303 WeakPolarHBondContact CB-OE2 3.33Å; S300-E303 PolarHBondContact N-OE2 2.98Å; S300-E303 PolarHBondContact O-N 3.25Å; S300-E303 VanDerWaalsContact OG-CG 3.24Å; S300-E303 WeakPolarHBondContact OG-CG 3.26Å; S300-E303 PolarHBondContact OG-N 3.41Å; S300-E303 PolarHBondContact OG-OE2 3.31Å; S300-A304 WeakPolarHBondContact O-CB 3.49Å; S300-A304 PolarHBondContact O-N 3.07Å | ||
| 301 | E | 62.7 | Low | 69.3 | Low | 164 Ų | 164 | 98.6 Ų | 98.6 | 77% | 0.766 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60 | -38.5 | -177.3 | -166.1 | 166.3 | -168.2 | 0 | 0 | 112 | L305 | E301-L305 VanDerWaalsContact O-CG 3.29Å; E301-L305 WeakPolarHBondContact O-CG 3.44Å; E301-L305 PolarHBondContact O-N 3.08Å |
| 302 | D | 70.4 | Confident | 69.5 | Low | 126 Ų | 126 | 100.5 Ų | 100.5 | 67% | 0.674 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.9 | -42 | 174.9 | -64.4 | -45.8 | 0 | 0 | 0 | 112.8 | S300 L305 C306 | S300-D302 VanDerWaalsContact C-N 3.28Å; S300-D302 PolarHBondContact O-N 3.05Å; D302-L305 PolarHBondContact O-N 3.4Å; D302-C306 PolarHBondContact O-N 2.93Å |
| 303 | E | 73.4 | Confident | 69.5 | Low | 96 Ų | 96 | 102.3 Ų | 102.3 | 45% | 0.449 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.6 | -39 | 177.6 | -71.1 | 165.9 | 132.5 | 0 | 0 | 111.8 | F299 S300 L305 C306 V307 | F299-E303 HydrophobicContact CB-CB 4.38Å; F299-E303 HydrophobicContact CD1-CB 4.25Å; S300-E303 VanDerWaalsContact CB-OE2 3.3Å; S300-E303 WeakPolarHBondContact CB-OE2 3.33Å; S300-E303 PolarHBondContact N-OE2 2.98Å; S300-E303 PolarHBondContact O-N 3.25Å; S300-E303 VanDerWaalsContact OG-CG 3.24Å; S300-E303 WeakPolarHBondContact OG-CG 3.26Å; S300-E303 PolarHBondContact OG-N 3.41Å; S300-E303 PolarHBondContact OG-OE2 3.31Å; E303-L305 VanDerWaalsContact C-N 3.33Å; E303-C306 PolarHBondContact O-N 3.46Å; E303-V307 WeakPolarHBondContact O-CG2 3.39Å; E303-V307 PolarHBondContact O-N 2.89Å |
| 304 | A | 71.9 | Confident | 69.4 | Low | 36 Ų | 36 | 105.5 Ų | 105.5 | 30% | 0.298 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F299 S300 V307 V308 | F299-A304 HydrophobicContact CB-CB 3.89Å; F299-A304 HydrophobicContact CG-CB 4.43Å; S300-A304 WeakPolarHBondContact O-CB 3.49Å; S300-A304 PolarHBondContact O-N 3.07Å; A304-V307 PolarHBondContact O-N 3.33Å; A304-V308 WeakPolarHBondContact O-CB 3.36Å; A304-V308 VanDerWaalsContact O-CG2 3.3Å; A304-V308 WeakPolarHBondContact O-CG2 3.45Å; A304-V308 PolarHBondContact O-N 2.96Å |
| 305 | L | 72.2 | Confident | 69.1 | Low | 89 Ų | 89 | 104 Ų | 104 | 47% | 0.466 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 174.8 | -74.8 | 167.4 | 0 | 0 | 0 | 111.9 | E301 D302 E303 V307 V308 D309 | E301-L305 VanDerWaalsContact O-CG 3.29Å; E301-L305 WeakPolarHBondContact O-CG 3.44Å; E301-L305 PolarHBondContact O-N 3.08Å; D302-L305 PolarHBondContact O-N 3.4Å; E303-L305 VanDerWaalsContact C-N 3.33Å; L305-V307 VanDerWaalsContact C-N 3.35Å; L305-V307 PolarHBondContact O-N 3.03Å; L305-V308 PolarHBondContact O-N 3.48Å; L305-D309 WeakPolarHBondContact O-CB 3.39Å; L305-D309 PolarHBondContact O-N 2.98Å |
| 306 | C | 74.8 | Confident | 69 | Low | 91 Ų | 91 | 97.2 Ų | 97.2 | 62% | 0.615 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.9 | -40.6 | 175.3 | -78 | 0 | 0 | 0 | 0 | 113.1 | D302 E303 D309 L310 | D302-C306 PolarHBondContact O-N 2.93Å; E303-C306 PolarHBondContact O-N 3.46Å; C306-D309 PolarHBondContact O-N 3.2Å; C306-L310 WeakPolarHBondContact O-CB 3.48Å; C306-L310 PolarHBondContact O-N 3.44Å |
| 307 | V | 71 | Confident | 68.7 | Low | 63 Ų | 63 | 96.4 Ų | 96.4 | 38% | 0.382 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.6 | -42.2 | 175.3 | 171 | 0 | 0 | 0 | 0 | 111.2 | F299 E303 A304 L305 L311 | F299-V307 HydrophobicContact CD1-CG2 4.46Å; F299-V307 HydrophobicContact CE1-CG2 3.96Å; E303-V307 WeakPolarHBondContact O-CG2 3.39Å; E303-V307 PolarHBondContact O-N 2.89Å; A304-V307 PolarHBondContact O-N 3.33Å; L305-V307 VanDerWaalsContact C-N 3.35Å; L305-V307 PolarHBondContact O-N 3.03Å; V307-L311 HydrophobicContact CG1-CD1 3.99Å; V307-L311 WeakPolarHBondContact O-CB 3.49Å; V307-L311 VanDerWaalsContact O-CG 3.24Å; V307-L311 WeakPolarHBondContact O-CG 3.45Å; V307-L311 PolarHBondContact O-N 3.42Å |
| 308 | V | 72.5 | Confident | 68.2 | Low | 67 Ų | 67 | 97 Ų | 97 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 176.3 | 162.9 | 0 | 0 | 0 | 0 | 111.8 | A304 L305 L311 K312 | A304-V308 WeakPolarHBondContact O-CB 3.36Å; A304-V308 VanDerWaalsContact O-CG2 3.3Å; A304-V308 WeakPolarHBondContact O-CG2 3.45Å; A304-V308 PolarHBondContact O-N 2.96Å; L305-V308 PolarHBondContact O-N 3.48Å; V308-L311 PolarHBondContact O-N 2.83Å; V308-K312 HydrophobicContact CG1-CD 4.48Å; V308-K312 WeakPolarHBondContact O-CG 3.33Å; V308-K312 PolarHBondContact O-N 2.88Å |
| 309 | D | 76.9 | Confident | 68.2 | Low | 83 Ų | 83 | 95.4 Ų | 95.4 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -74.4 | -37.5 | 179.8 | -74.8 | -16.7 | 0 | 0 | 0 | 112.6 | L305 C306 L311 K312 E313 | L305-D309 WeakPolarHBondContact O-CB 3.39Å; L305-D309 PolarHBondContact O-N 2.98Å; C306-D309 PolarHBondContact O-N 3.2Å; D309-L311 VanDerWaalsContact C-N 3.28Å; D309-L311 PolarHBondContact O-N 2.97Å; D309-K312 WeakPolarHBondContact O-CB 3.44Å; D309-K312 PolarHBondContact O-N 3.42Å; D309-K312 VanDerWaalsContact O-N 3.15Å; D309-K312 WeakPolarHBondContact OD1-CD 3.36Å; D309-K312 WeakPolarHBondContact OD1-CE 3.43Å; D309-K312 IonicContact OD1-NZ 2.61Å; D309-K312 PolarHBondContact OD1-NZ 3.42Å; D309-E313 PolarHBondContact O-N 3.37Å |
| 310 | L | 74.4 | Confident | 67.7 | Low | 101 Ų | 101 | 98.9 Ų | 98.9 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 170.1 | -171.2 | 67.6 | 0 | 0 | 0 | 111.6 | C306 E313 K314 | C306-L310 WeakPolarHBondContact O-CB 3.48Å; C306-L310 PolarHBondContact O-N 3.44Å; L310-E313 PolarHBondContact O-N 2.95Å; L310-K314 WeakPolarHBondContact O-CG 3.48Å; L310-K314 PolarHBondContact O-N 3.38Å |
| 311 | L | 70.4 | Confident | 66.7 | Low | 113 Ų | 113 | 100 Ų | 100 | 59% | 0.592 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.2 | -35.3 | 172.5 | -73.8 | 169.7 | 0 | 0 | 0 | 112.6 | V307 V308 D309 S315 | V307-L311 HydrophobicContact CG1-CD1 3.99Å; V307-L311 WeakPolarHBondContact O-CB 3.49Å; V307-L311 VanDerWaalsContact O-CG 3.24Å; V307-L311 WeakPolarHBondContact O-CG 3.45Å; V307-L311 PolarHBondContact O-N 3.42Å; V308-L311 PolarHBondContact O-N 2.83Å; D309-L311 VanDerWaalsContact C-N 3.28Å; D309-L311 PolarHBondContact O-N 2.97Å; L311-S315 WeakPolarHBondContact O-CB 3.46Å; L311-S315 PolarHBondContact O-N 3.34Å |
| 312 | K | 71 | Confident | 66.2 | Low | 124 Ų | 124 | 98.8 Ų | 98.8 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 171.1 | -71.9 | 170.3 | -163.6 | 155.8 | 0 | 111.4 | V308 D309 S315 G316 | V308-K312 HydrophobicContact CG1-CD 4.48Å; V308-K312 WeakPolarHBondContact O-CG 3.33Å; V308-K312 PolarHBondContact O-N 2.88Å; D309-K312 WeakPolarHBondContact O-CB 3.44Å; D309-K312 PolarHBondContact O-N 3.42Å; D309-K312 VanDerWaalsContact O-N 3.15Å; D309-K312 WeakPolarHBondContact OD1-CD 3.36Å; D309-K312 WeakPolarHBondContact OD1-CE 3.43Å; D309-K312 IonicContact OD1-NZ 2.61Å; D309-K312 PolarHBondContact OD1-NZ 3.42Å; K312-S315 WeakPolarHBondContact O-CB 3.47Å; K312-S315 PolarHBondContact O-N 2.78Å; K312-G316 PolarHBondContact O-N 2.79Å |
| 313 | E | 71.8 | Confident | 65.2 | Low | 136 Ų | 136 | 101.7 Ų | 101.7 | 64% | 0.636 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.3 | -48.5 | 177.6 | -170.7 | -177.9 | -155 | 0 | 0 | 111 | D309 L310 S315 G316 | D309-E313 PolarHBondContact O-N 3.37Å; L310-E313 PolarHBondContact O-N 2.95Å; E313-S315 VanDerWaalsContact C-N 3.34Å; E313-S315 PolarHBondContact O-N 3.17Å; E313-G316 PolarHBondContact O-N 3.38Å |
| 314 | K | 63.1 | Low | 64.1 | Low | 134 Ų | 134 | 106.8 Ų | 106.8 | 58% | 0.583 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.7 | -34.2 | 173.2 | -66.1 | -66.5 | 179.3 | -175.1 | 0 | 113 | L310 G316 V317 I318 | L310-K314 WeakPolarHBondContact O-CG 3.48Å; L310-K314 PolarHBondContact O-N 3.38Å; K314-G316 VanDerWaalsContact C-N 3.27Å; K314-G316 PolarHBondContact O-N 3.26Å; K314-V317 PolarHBondContact O-N 2.65Å; K314-I318 PolarHBondContact O-N 3.24Å |
| 315 | S | 61.3 | Low | 62.8 | Low | 48 Ų | 48 | 109.9 Ų | 109.9 | 34% | 0.336 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63 | -32.8 | 174.3 | -173 | 0 | 0 | 0 | 0 | 112.4 | L311 K312 E313 I318 K319 | L311-S315 WeakPolarHBondContact O-CB 3.46Å; L311-S315 PolarHBondContact O-N 3.34Å; K312-S315 WeakPolarHBondContact O-CB 3.47Å; K312-S315 PolarHBondContact O-N 2.78Å; E313-S315 VanDerWaalsContact C-N 3.34Å; E313-S315 PolarHBondContact O-N 3.17Å; S315-I318 PolarHBondContact O-N 3.47Å; S315-K319 WeakPolarHBondContact O-CB 3.32Å; S315-K319 WeakPolarHBondContact O-CG 3.4Å; S315-K319 PolarHBondContact O-N 2.91Å |
| 316 | G | 64.7 | Low | 61.3 | Low | 38 Ų | 38 | 113 Ų | 113 | 39% | 0.392 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -56.8 | -49.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K312 E313 K314 I318 K319 E320 | K312-G316 PolarHBondContact O-N 2.79Å; E313-G316 PolarHBondContact O-N 3.38Å; K314-G316 VanDerWaalsContact C-N 3.27Å; K314-G316 PolarHBondContact O-N 3.26Å; G316-I318 VanDerWaalsContact C-N 3.33Å; G316-I318 PolarHBondContact O-N 3.25Å; G316-K319 PolarHBondContact O-N 3.09Å; G316-E320 PolarHBondContact O-N 3.36Å |
| 317 | V | 60.3 | Low | 60.1 | Low | 98 Ų | 98 | 118.3 Ų | 118.3 | 59% | 0.594 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.1 | -39.5 | 179 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | K314 E320 A321 | K314-V317 PolarHBondContact O-N 2.65Å; V317-E320 PolarHBondContact O-N 3.21Å; V317-A321 PolarHBondContact O-N 3.31Å |
| 318 | I | 56.4 | Low | 59.3 | Low | 115 Ų | 115 | 118.4 Ų | 118.4 | 59% | 0.59 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.3 | -41.8 | 176.5 | -63.2 | 169.9 | 0 | 0 | 0 | 111 | K314 S315 G316 E320 A321 L322 | K314-I318 PolarHBondContact O-N 3.24Å; S315-I318 PolarHBondContact O-N 3.47Å; G316-I318 VanDerWaalsContact C-N 3.33Å; G316-I318 PolarHBondContact O-N 3.25Å; I318-E320 VanDerWaalsContact C-N 3.33Å; I318-E320 PolarHBondContact O-N 3.33Å; I318-A321 PolarHBondContact O-N 2.69Å; I318-L322 PolarHBondContact O-N 2.85Å; I318-L322 VanDerWaalsContact O-N 3.08Å |
| 319 | K | 54.4 | Low | 58.3 | Low | 147 Ų | 147 | 122.7 Ų | 122.7 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.8 | -35.1 | 175.8 | -79.9 | 178.5 | 175.1 | 176 | 0 | 112.7 | S315 G316 L322 K323 | S315-K319 WeakPolarHBondContact O-CB 3.32Å; S315-K319 WeakPolarHBondContact O-CG 3.4Å; S315-K319 PolarHBondContact O-N 2.91Å; G316-K319 PolarHBondContact O-N 3.09Å; K319-L322 PolarHBondContact O-N 3.46Å; K319-K323 PolarHBondContact O-N 3.14Å |
| 320 | E | 55.5 | Low | 57.3 | Low | 152 Ų | 152 | 124.9 Ų | 124.9 | 71% | 0.71 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.1 | -38.1 | 178.3 | -163.6 | 165.1 | -135.9 | 0 | 0 | 112 | G316 V317 I318 L322 K323 | G316-E320 PolarHBondContact O-N 3.36Å; V317-E320 PolarHBondContact O-N 3.21Å; I318-E320 VanDerWaalsContact C-N 3.33Å; I318-E320 PolarHBondContact O-N 3.33Å; E320-L322 VanDerWaalsContact C-N 3.35Å; E320-L322 PolarHBondContact O-N 3.29Å; E320-K323 PolarHBondContact O-N 3.31Å |
| 321 | A | 52.1 | Low | 56.8 | Low | 78 Ų | 78 | 124.7 Ų | 124.7 | 65% | 0.645 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -60.8 | -40.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V317 I318 K323 | V317-A321 PolarHBondContact O-N 3.31Å; I318-A321 PolarHBondContact O-N 2.69Å; A321-K323 VanDerWaalsContact C-N 3.28Å; A321-K323 PolarHBondContact O-N 3.11Å |
| 322 | L | 51.2 | Low | 56.7 | Low | 140 Ų | 140 | 121.5 Ų | 121.5 | 73% | 0.733 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.6 | -26.3 | 179.3 | -138.1 | 76.4 | 0 | 0 | 0 | 113.3 | I318 K319 E320 K324 | I318-L322 PolarHBondContact O-N 2.85Å; I318-L322 VanDerWaalsContact O-N 3.08Å; K319-L322 PolarHBondContact O-N 3.46Å; E320-L322 VanDerWaalsContact C-N 3.35Å; E320-L322 PolarHBondContact O-N 3.29Å; L322-K324 PolarHBondContact O-N 2.9Å; L322-K324 VanDerWaalsContact O-N 3.13Å |
| 323 | K | 50.6 | Low | 56.6 | Low | 187 Ų | 187 | 120.6 Ų | 120.6 | 81% | 0.813 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 6.8 | -171.5 | -144.4 | 172.8 | -175.3 | 179.9 | 0 | 114.9 | K319 E320 A321 | K319-K323 PolarHBondContact O-N 3.14Å; E320-K323 PolarHBondContact O-N 3.31Å; A321-K323 VanDerWaalsContact C-N 3.28Å; A321-K323 PolarHBondContact O-N 3.11Å |
| 324 | K | 50.5 | Low | 56.5 | Low | 202 Ų | 202 | 119.3 Ų | 119.3 | 88% | 0.878 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 4.3 | 179.4 | -104.2 | 176.9 | 178.6 | 172.9 | 0 | 115 | L322 | L322-K324 PolarHBondContact O-N 2.9Å; L322-K324 VanDerWaalsContact O-N 3.13Å |
| 325 | S | 44 | Very low | 57.1 | Low | 101 Ų | 101 | 118.9 Ų | 118.9 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -94.2 | 167.9 | 174.7 | -161.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 326 | N | 41.5 | Very low | 57.7 | Low | 155 Ų | 155 | 122.5 Ų | 122.5 | 83% | 0.829 | 66% | 0.663 | S | S | * | * | trans | -53.4 | 144.8 | -161.2 | -74.2 | -32.9 | 0 | 0 | 0 | 117 | G328 | N326-G328 PolarHBondContact O-N 2.85Š| ||
| 327 | K | 48.5 | Very low | 58.2 | Low | 203 Ų | 203 | 126.1 Ų | 126.1 | 88% | 0.883 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 30.6 | -179.9 | -70.7 | -176.4 | 170.3 | -179.3 | 0 | 115.6 | ||
| 328 | G | 53.6 | Low | 59.1 | Low | 65 Ų | 65 | 127.1 Ų | 127.1 | 67% | 0.67 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -51.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N326 L330 | N326-G328 PolarHBondContact O-N 2.85Å; G328-L330 PolarHBondContact O-N 3.47Å |
| 329 | E | 52.4 | Low | 60.1 | Low | 157 Ų | 157 | 125.6 Ų | 125.6 | 73% | 0.734 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -100.7 | 18.9 | -155 | -58.9 | -179.2 | 135.5 | 0 | 0 | 114.8 | S331 L333 | E329-S331 VanDerWaalsContact C-N 3.33Å; E329-S331 PolarHBondContact O-N 3.17Å; E329-L333 HydrophobicContact CB-CD1 4.32Å |
| 330 | L | 55 | Low | 61.3 | Low | 129 Ų | 129 | 125.8 Ų | 125.8 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -69.7 | -22.3 | -165 | -123.9 | 161.8 | 0 | 0 | 0 | 114.8 | G328 L334 | G328-L330 PolarHBondContact O-N 3.47Å; L330-L334 WeakPolarHBondContact O-CB 2.86Å |
| 331 | S | 64.3 | Low | 62.6 | Low | 97 Ų | 97 | 124.6 Ų | 124.6 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80 | -54 | -178.3 | -177.8 | 0 | 0 | 0 | 0 | 112.9 | E329 L333 L334 H335 | E329-S331 VanDerWaalsContact C-N 3.33Å; E329-S331 PolarHBondContact O-N 3.17Å; S331-L333 VanDerWaalsContact C-N 3.33Å; S331-L333 PolarHBondContact O-N 3.41Å; S331-L334 WeakPolarHBondContact O-CB 3.42Å; S331-L334 PolarHBondContact O-N 3.39Å; S331-L334 VanDerWaalsContact O-N 3.12Å; S331-H335 PolarHBondContact O-N 2.87Å; S331-H335 VanDerWaalsContact O-N 3.1Å |
| 332 | G | 68.1 | Low | 64.3 | Low | 46 Ų | 46 | 127.8 Ų | 127.8 | 47% | 0.474 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -63.2 | -37.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | H335 Q336 | G332-H335 PolarHBondContact O-N 2.89Å; G332-Q336 PolarHBondContact O-N 3Å |
| 333 | L | 69.4 | Low | 65.9 | Low | 104 Ų | 104 | 125.2 Ų | 125.2 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -68.4 | -32.9 | 175 | -71.6 | 172.4 | 0 | 0 | 0 | 112.9 | E329 S331 L337 | E329-L333 HydrophobicContact CB-CD1 4.32Å; S331-L333 VanDerWaalsContact C-N 3.33Å; S331-L333 PolarHBondContact O-N 3.41Å; L333-L337 VanDerWaalsContact O-CB 3.31Å; L333-L337 WeakPolarHBondContact O-CB 3.3Å; L333-L337 PolarHBondContact O-N 2.67Å |
| 334 | L | 70.7 | Confident | 67.5 | Low | 109 Ų | 109 | 120.9 Ų | 120.9 | 57% | 0.571 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.3 | -44.5 | 173.9 | -164.7 | 97.8 | 0 | 0 | 0 | 110.8 | L330 S331 L337 Q338 | L330-L334 WeakPolarHBondContact O-CB 2.86Å; S331-L334 WeakPolarHBondContact O-CB 3.42Å; S331-L334 PolarHBondContact O-N 3.39Å; S331-L334 VanDerWaalsContact O-N 3.12Å; L334-L337 WeakPolarHBondContact O-CB 3.46Å; L334-L337 PolarHBondContact O-N 2.61Å; L334-Q338 PolarHBondContact O-N 2.93Å |
| 335 | H | 74.1 | Confident | 69 | Low | 125 Ų | 125 | 114.2 Ų | 114.2 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.7 | -40.3 | 178.2 | -130.5 | -62.7 | 0 | 0 | 0 | 112 | S331 G332 Q338 E339 | S331-H335 PolarHBondContact O-N 2.87Å; S331-H335 VanDerWaalsContact O-N 3.1Å; G332-H335 PolarHBondContact O-N 2.89Å; H335-Q338 PolarHBondContact O-N 2.88Å; H335-E339 WeakPolarHBondContact O-CB 3.29Å; H335-E339 PolarHBondContact O-N 3.44Å |
| 336 | Q | 74.4 | Confident | 70.9 | Confident | 125 Ų | 125 | 111.2 Ų | 111.2 | 58% | 0.584 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.4 | -35.4 | 172.5 | -77.8 | -170.2 | -7 | 0 | 0 | 113.1 | G332 K340 | G332-Q336 PolarHBondContact O-N 3Å; Q336-K340 WeakPolarHBondContact O-CB 3.47Å; Q336-K340 WeakPolarHBondContact O-CG 3.28Å; Q336-K340 PolarHBondContact O-N 2.76Å |
| 337 | L | 76.1 | Confident | 72.8 | Confident | 113 Ų | 113 | 110.4 Ų | 110.4 | 59% | 0.592 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65 | -47.9 | 175.5 | -172 | 71.2 | 0 | 0 | 0 | 110.4 | L333 L334 E339 K340 E341 | L333-L337 VanDerWaalsContact O-CB 3.31Å; L333-L337 WeakPolarHBondContact O-CB 3.3Å; L333-L337 PolarHBondContact O-N 2.67Å; L334-L337 WeakPolarHBondContact O-CB 3.46Å; L334-L337 PolarHBondContact O-N 2.61Å; L337-E339 PolarHBondContact O-N 3.28Å; L337-K340 PolarHBondContact O-N 3.31Å; L337-E341 WeakPolarHBondContact O-CB 3.44Å; L337-E341 PolarHBondContact O-N 3.27Å |
| 338 | Q | 78.3 | Confident | 74.6 | Confident | 120 Ų | 120 | 107.5 Ų | 107.5 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.6 | -39.9 | 177.6 | -173 | 176 | -6.3 | 0 | 0 | 112.2 | L334 H335 E341 R342 | L334-Q338 PolarHBondContact O-N 2.93Å; H335-Q338 PolarHBondContact O-N 2.88Å; Q338-E341 PolarHBondContact O-N 3.46Å; Q338-R342 WeakPolarHBondContact O-CB 3.4Å; Q338-R342 PolarHBondContact O-N 2.85Å |
| 339 | E | 76.6 | Confident | 76.2 | Confident | 82 Ų | 82 | 111.4 Ų | 111.4 | 38% | 0.383 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.7 | -42.5 | 174.3 | -164.6 | 65.9 | -116.6 | 0 | 0 | 111.7 | H335 L337 R342 L343 | H335-E339 WeakPolarHBondContact O-CB 3.29Å; H335-E339 PolarHBondContact O-N 3.44Å; L337-E339 PolarHBondContact O-N 3.28Å; E339-R342 PolarHBondContact O-N 3.45Å; E339-R342 IonicContact OE1-CZ 3.16Å; E339-R342 IonicContact OE1-NE 2.79Å; E339-R342 PolarHBondContact OE1-NE 2.91Å; E339-R342 IonicContact OE1-NH2 2.68Å; E339-R342 PolarHBondContact OE1-NH2 3.36Å; E339-L343 WeakPolarHBondContact O-CG 3.37Å; E339-L343 PolarHBondContact O-N 2.84Å |
| 340 | K | 79.6 | Confident | 77.6 | Confident | 151 Ų | 151 | 108.4 Ų | 108.4 | 66% | 0.657 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.2 | -32.3 | 175.2 | -75.6 | -170.3 | 175.5 | -173.9 | 0 | 113 | Q336 L337 L343 L344 | Q336-K340 WeakPolarHBondContact O-CB 3.47Å; Q336-K340 WeakPolarHBondContact O-CG 3.28Å; Q336-K340 PolarHBondContact O-N 2.76Å; L337-K340 PolarHBondContact O-N 3.31Å; K340-L343 PolarHBondContact O-N 2.95Å; K340-L344 WeakPolarHBondContact O-CB 3.25Å; K340-L344 PolarHBondContact O-N 2.7Å |
| 341 | E | 82.7 | Confident | 79 | Confident | 128 Ų | 128 | 105.1 Ų | 105.1 | 60% | 0.598 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -72 | -34.9 | 176.2 | -166.3 | 154.2 | -131.4 | 0 | 0 | 111.6 | L337 Q338 S345 | L337-E341 WeakPolarHBondContact O-CB 3.44Å; L337-E341 PolarHBondContact O-N 3.27Å; Q338-E341 PolarHBondContact O-N 3.46Å; E341-S345 WeakPolarHBondContact O-CB 3.43Å; E341-S345 PolarHBondContact O-N 3Å; E341-S345 PolarHBondContact O-OG 3.19Å |
| 342 | R | 87.9 | Confident | 80.1 | Confident | 144 Ų | 144 | 103.2 Ų | 103.2 | 54% | 0.543 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.2 | -50.5 | 167.4 | -171.8 | -173.1 | 71.7 | 79.1 | -2.9 | 111.5 | Q338 E339 L344 S345 A346 | Q338-R342 WeakPolarHBondContact O-CB 3.4Å; Q338-R342 PolarHBondContact O-N 2.85Å; E339-R342 PolarHBondContact O-N 3.45Å; E339-R342 IonicContact OE1-CZ 3.16Å; E339-R342 IonicContact OE1-NE 2.79Å; E339-R342 PolarHBondContact OE1-NE 2.91Å; E339-R342 IonicContact OE1-NH2 2.68Å; E339-R342 PolarHBondContact OE1-NH2 3.36Å; R342-L344 PolarHBondContact O-N 2.87Å; R342-S345 WeakPolarHBondContact O-CB 3.46Å; R342-S345 PolarHBondContact O-N 2.93Å; R342-A346 PolarHBondContact O-N 3.31Å |
| 343 | L | 86.1 | Confident | 81 | Confident | 87 Ų | 87 | 102.7 Ų | 102.7 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 178.1 | -72.1 | 169.2 | 0 | 0 | 0 | 112.8 | E339 K340 S345 A346 M347 | E339-L343 WeakPolarHBondContact O-CG 3.37Å; E339-L343 PolarHBondContact O-N 2.84Å; K340-L343 PolarHBondContact O-N 2.95Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-A346 PolarHBondContact O-N 3.11Å; L343-M347 WeakPolarHBondContact O-CB 3.31Å; L343-M347 WeakPolarHBondContact O-CG 3.48Å; L343-M347 PolarHBondContact O-N 3.15Å |
| 344 | L | 82.9 | Confident | 81.6 | Confident | 95 Ų | 95 | 100.4 Ų | 100.4 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.4 | -29.3 | 175.8 | -174.4 | 147.5 | 0 | 0 | 0 | 112.2 | K340 R342 K348 | K340-L344 WeakPolarHBondContact O-CB 3.25Å; K340-L344 PolarHBondContact O-N 2.7Å; R342-L344 PolarHBondContact O-N 2.87Å; L344-K348 HydrophobicContact CD2-CD 4Å; L344-K348 VanDerWaalsContact CD2-CE 3.5Å; L344-K348 WeakPolarHBondContact O-CG 3.48Å; L344-K348 PolarHBondContact O-N 3.42Å; L344-K348 VanDerWaalsContact O-N 3.15Å |
| 345 | S | 83.6 | Confident | 82.6 | Confident | 63 Ų | 63 | 102.3 Ų | 102.3 | 44% | 0.441 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.3 | -46.4 | 172.3 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | E341 R342 L343 M347 K348 E349 | E341-S345 WeakPolarHBondContact O-CB 3.43Å; E341-S345 PolarHBondContact O-N 3Å; E341-S345 PolarHBondContact O-OG 3.19Å; R342-S345 WeakPolarHBondContact O-CB 3.46Å; R342-S345 PolarHBondContact O-N 2.93Å; L343-S345 VanDerWaalsContact C-N 3.31Å; S345-M347 PolarHBondContact O-N 2.76Å; S345-K348 WeakPolarHBondContact O-CB 3.5Å; S345-K348 PolarHBondContact O-N 2.98Å; S345-K348 VanDerWaalsContact O-N 3.11Å; S345-E349 PolarHBondContact O-N 3.5Å |
| 346 | A | 83.3 | Confident | 83.4 | Confident | 37 Ų | 37 | 100.3 Ų | 100.3 | 31% | 0.306 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | R342 L343 K348 E349 D350 | R342-A346 PolarHBondContact O-N 3.31Å; L343-A346 PolarHBondContact O-N 3.11Å; A346-K348 VanDerWaalsContact C-N 3.27Å; A346-K348 PolarHBondContact O-N 3.44Å; A346-E349 WeakPolarHBondContact O-CB 3.29Å; A346-E349 PolarHBondContact O-N 2.84Å; A346-D350 PolarHBondContact O-N 3.39Å |
| 347 | M | 82.3 | Confident | 84.1 | Confident | 139 Ų | 139 | 101.3 Ų | 101.3 | 69% | 0.685 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.8 | -32.3 | 174.5 | -80 | -92.5 | 152.6 | 0 | 0 | 113.5 | L343 S345 A351 | L343-M347 WeakPolarHBondContact O-CB 3.31Å; L343-M347 WeakPolarHBondContact O-CG 3.48Å; L343-M347 PolarHBondContact O-N 3.15Å; S345-M347 PolarHBondContact O-N 2.76Å; M347-A351 WeakPolarHBondContact O-CB 3.4Å; M347-A351 PolarHBondContact O-N 3.42Å |
| 348 | K | 85.3 | Confident | 84.7 | Confident | 141 Ų | 141 | 99.7 Ų | 99.7 | 61% | 0.613 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.5 | -36.3 | 172.6 | -78.9 | 171.2 | 175.6 | 172.1 | 0 | 112.3 | L344 S345 A346 A352 | L344-K348 HydrophobicContact CD2-CD 4Å; L344-K348 VanDerWaalsContact CD2-CE 3.5Å; L344-K348 WeakPolarHBondContact O-CG 3.48Å; L344-K348 PolarHBondContact O-N 3.42Å; L344-K348 VanDerWaalsContact O-N 3.15Å; S345-K348 WeakPolarHBondContact O-CB 3.5Å; S345-K348 PolarHBondContact O-N 2.98Å; S345-K348 VanDerWaalsContact O-N 3.11Å; A346-K348 VanDerWaalsContact C-N 3.27Å; A346-K348 PolarHBondContact O-N 3.44Å; K348-A352 WeakPolarHBondContact O-CB 3.3Å; K348-A352 PolarHBondContact O-N 3.1Å |
| 349 | E | 86.4 | Confident | 85.4 | Confident | 147 Ų | 147 | 99 Ų | 99 | 69% | 0.687 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.3 | -45.2 | 176.7 | -168.3 | 168 | -172.3 | 0 | 0 | 111.2 | S345 A346 A351 A352 A353 | S345-E349 PolarHBondContact O-N 3.5Å; A346-E349 WeakPolarHBondContact O-CB 3.29Å; A346-E349 PolarHBondContact O-N 2.84Å; E349-A351 VanDerWaalsContact C-N 3.35Å; E349-A351 PolarHBondContact O-N 3.44Å; E349-A352 WeakPolarHBondContact O-CB 3.44Å; E349-A352 PolarHBondContact O-N 3.25Å; E349-A352 VanDerWaalsContact O-N 3.16Å; E349-A353 WeakPolarHBondContact O-CB 3.3Å; E349-A353 PolarHBondContact O-N 3.3Å |
| 350 | D | 81.9 | Confident | 86 | Confident | 95 Ų | 95 | 99.9 Ų | 99.9 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 172.1 | -81.1 | -38.6 | 0 | 0 | 0 | 112.3 | A346 S354 | A346-D350 PolarHBondContact O-N 3.39Å; D350-S354 VanDerWaalsContact O-CB 3.25Å; D350-S354 WeakPolarHBondContact O-CB 3.41Å; D350-S354 PolarHBondContact O-N 2.89Å; D350-S354 PolarHBondContact O-OG 3.15Å |
| 351 | A | 84.8 | Confident | 86.4 | Confident | 59 Ų | 59 | 98 Ų | 98 | 49% | 0.488 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.5 | -37.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M347 E349 K355 | M347-A351 WeakPolarHBondContact O-CB 3.4Å; M347-A351 PolarHBondContact O-N 3.42Å; E349-A351 VanDerWaalsContact C-N 3.35Å; E349-A351 PolarHBondContact O-N 3.44Å; A351-K355 VanDerWaalsContact O-CB 3.3Å; A351-K355 WeakPolarHBondContact O-CB 3.32Å; A351-K355 PolarHBondContact O-N 3.22Å |
| 352 | A | 87.6 | Confident | 86.7 | Confident | 57 Ų | 57 | 95.6 Ų | 95.6 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.8 | -45.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K348 E349 S354 K355 E356 | K348-A352 WeakPolarHBondContact O-CB 3.3Å; K348-A352 PolarHBondContact O-N 3.1Å; E349-A352 WeakPolarHBondContact O-CB 3.44Å; E349-A352 PolarHBondContact O-N 3.25Å; E349-A352 VanDerWaalsContact O-N 3.16Å; A352-S354 VanDerWaalsContact C-N 3.34Å; A352-S354 PolarHBondContact O-N 3.17Å; A352-K355 WeakPolarHBondContact O-CB 3.37Å; A352-K355 PolarHBondContact O-N 3.08Å; A352-E356 PolarHBondContact O-N 3.05Å |
| 353 | A | 87.8 | Confident | 86.9 | Confident | 36 Ų | 36 | 95.2 Ų | 95.2 | 30% | 0.298 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E349 E356 R357 | E349-A353 WeakPolarHBondContact O-CB 3.3Å; E349-A353 PolarHBondContact O-N 3.3Å; A353-E356 PolarHBondContact O-N 2.79Å; A353-R357 WeakPolarHBondContact O-CG 3.49Å; A353-R357 PolarHBondContact O-N 3.29Å |
| 354 | S | 81.9 | Confident | 87 | Confident | 56 Ų | 56 | 96.7 Ų | 96.7 | 39% | 0.392 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -38.6 | 175.5 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | D350 A352 C358 | D350-S354 VanDerWaalsContact O-CB 3.25Å; D350-S354 WeakPolarHBondContact O-CB 3.41Å; D350-S354 PolarHBondContact O-N 2.89Å; D350-S354 PolarHBondContact O-OG 3.15Å; A352-S354 VanDerWaalsContact C-N 3.34Å; A352-S354 PolarHBondContact O-N 3.17Å; S354-C358 PolarHBondContact O-N 2.85Å; S354-C358 PolarHBondContact O-SG 3.27Å |
| 355 | K | 90.8 | Very high | 87.4 | Confident | 149 Ų | 149 | 97.9 Ų | 97.9 | 65% | 0.648 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.8 | -38.2 | 172.5 | -174.1 | 173 | -176.9 | 173.5 | 0 | 111.9 | A351 A352 C358 K359 | A351-K355 VanDerWaalsContact O-CB 3.3Å; A351-K355 WeakPolarHBondContact O-CB 3.32Å; A351-K355 PolarHBondContact O-N 3.22Å; A352-K355 WeakPolarHBondContact O-CB 3.37Å; A352-K355 PolarHBondContact O-N 3.08Å; K355-C358 WeakPolarHBondContact O-CB 3.35Å; K355-C358 PolarHBondContact O-N 3.45Å; K355-K359 PolarHBondContact O-N 2.96Å; K355-K359 VanDerWaalsContact O-N 3.14Å |
| 356 | E | 90.7 | Very high | 87.8 | Confident | 82 Ų | 82 | 99.2 Ų | 99.2 | 38% | 0.383 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.9 | -43.2 | 177.4 | -151.5 | 61.9 | -141.1 | 0 | 0 | 112 | A352 A353 C358 K359 Q360 | A352-E356 PolarHBondContact O-N 3.05Å; A353-E356 PolarHBondContact O-N 2.79Å; E356-C358 VanDerWaalsContact C-N 3.28Å; E356-C358 PolarHBondContact O-N 2.88Å; E356-K359 WeakPolarHBondContact O-CB 3.34Å; E356-K359 PolarHBondContact O-N 2.94Å; E356-K359 WeakPolarHBondContact OE1-CD 3.46Å; E356-K359 IonicContact OE1-NZ 2.8Å; E356-K359 PolarHBondContact OE1-NZ 3.4Å; E356-K359 VanDerWaalsContact OE2-CE 3.27Å; E356-K359 WeakPolarHBondContact OE2-CE 3.42Å; E356-K359 IonicContact OE2-NZ 2.81Å; E356-K359 PolarHBondContact OE2-NZ 3.04Å; E356-Q360 WeakPolarHBondContact O-CG 3.39Å; E356-Q360 PolarHBondContact O-N 3.41Å |
| 357 | R | 90.3 | Very high | 88 | Confident | 146 Ų | 146 | 99.5 Ų | 99.5 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.7 | -40.8 | 171.2 | -71.1 | 172.2 | -172.4 | 137.7 | 1.3 | 111.9 | A353 K359 Q360 L361 | A353-R357 WeakPolarHBondContact O-CG 3.49Å; A353-R357 PolarHBondContact O-N 3.29Å; R357-K359 PolarHBondContact O-N 3.41Å; R357-Q360 PolarHBondContact O-N 3.26Å; R357-L361 PolarHBondContact O-N 3.42Å |
| 358 | C | 86.9 | Confident | 88.1 | Confident | 80 Ų | 80 | 97.8 Ų | 97.8 | 54% | 0.541 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -39.5 | 173.7 | -78.4 | 0 | 0 | 0 | 0 | 112.8 | S354 K355 E356 T362 | S354-C358 PolarHBondContact O-N 2.85Å; S354-C358 PolarHBondContact O-SG 3.27Å; K355-C358 WeakPolarHBondContact O-CB 3.35Å; K355-C358 PolarHBondContact O-N 3.45Å; E356-C358 VanDerWaalsContact C-N 3.28Å; E356-C358 PolarHBondContact O-N 2.88Å; C358-T362 WeakPolarHBondContact O-CB 3.23Å; C358-T362 PolarHBondContact O-N 2.7Å; C358-T362 PolarHBondContact O-OG1 3.43Å |
| 359 | K | 93 | Very high | 88.4 | Confident | 104 Ų | 104 | 98 Ų | 98 | 45% | 0.452 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65 | -44.6 | 173.4 | -62.7 | -172.7 | -145.1 | 152.9 | 0 | 111.6 | K355 E356 R357 T362 Q363 | K355-K359 PolarHBondContact O-N 2.96Å; K355-K359 VanDerWaalsContact O-N 3.14Å; E356-K359 WeakPolarHBondContact O-CB 3.34Å; E356-K359 PolarHBondContact O-N 2.94Å; E356-K359 WeakPolarHBondContact OE1-CD 3.46Å; E356-K359 IonicContact OE1-NZ 2.8Å; E356-K359 PolarHBondContact OE1-NZ 3.4Å; E356-K359 VanDerWaalsContact OE2-CE 3.27Å; E356-K359 WeakPolarHBondContact OE2-CE 3.42Å; E356-K359 IonicContact OE2-NZ 2.81Å; E356-K359 PolarHBondContact OE2-NZ 3.04Å; R357-K359 PolarHBondContact O-N 3.41Å; K359-T362 WeakPolarHBondContact O-CB 3.48Å; K359-T362 PolarHBondContact O-N 3.04Å; K359-Q363 WeakPolarHBondContact O-CB 3.4Å; K359-Q363 PolarHBondContact O-N 3.02Å |
| 360 | Q | 89.4 | Confident | 88.6 | Confident | 101 Ų | 101 | 96.8 Ų | 96.8 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.1 | -51.9 | -179.8 | -72.6 | 170.7 | -19.4 | 0 | 0 | 110.7 | E356 R357 T362 Q363 E364 | E356-Q360 WeakPolarHBondContact O-CG 3.39Å; E356-Q360 PolarHBondContact O-N 3.41Å; R357-Q360 PolarHBondContact O-N 3.26Å; Q360-T362 VanDerWaalsContact C-N 3.3Å; Q360-T362 PolarHBondContact O-N 2.97Å; Q360-Q363 PolarHBondContact O-N 2.79Å; Q360-Q363 VanDerWaalsContact O-N 3.08Å; Q360-E364 WeakPolarHBondContact O-CB 3.48Å; Q360-E364 WeakPolarHBondContact O-CG 3.23Å; Q360-E364 PolarHBondContact O-N 3.43Å |
| 361 | L | 89.6 | Confident | 89.1 | Confident | 111 Ų | 111 | 98.6 Ų | 98.6 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -57.8 | -39.5 | 173.8 | -77.3 | 164.6 | 0 | 0 | 0 | 112.9 | R357 M365 | R357-L361 PolarHBondContact O-N 3.42Å; L361-M365 VanDerWaalsContact O-CB 3.22Å; L361-M365 WeakPolarHBondContact O-CB 3.39Å; L361-M365 PolarHBondContact O-N 3.29Å |
| 362 | T | 87.9 | Confident | 89.2 | Confident | 78 Ų | 78 | 98.6 Ų | 98.6 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 176.2 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | C358 K359 Q360 M365 M366 | C358-T362 WeakPolarHBondContact O-CB 3.23Å; C358-T362 PolarHBondContact O-N 2.7Å; C358-T362 PolarHBondContact O-OG1 3.43Å; K359-T362 WeakPolarHBondContact O-CB 3.48Å; K359-T362 PolarHBondContact O-N 3.04Å; Q360-T362 VanDerWaalsContact C-N 3.3Å; Q360-T362 PolarHBondContact O-N 2.97Å; T362-M365 HydrophobicContact CG2-CE 4.36Å; T362-M366 VanDerWaalsContact O-CG 3.31Å; T362-M366 WeakPolarHBondContact O-CG 3.44Å; T362-M366 PolarHBondContact O-N 3.44Å; T362-M366 VanDerWaalsContact O-N 3.09Å |
| 363 | Q | 91.5 | Very high | 89.4 | Confident | 137 Ų | 137 | 99.5 Ų | 99.5 | 64% | 0.64 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71.6 | -42.8 | 178.2 | -175.6 | 172.7 | -7.1 | 0 | 0 | 111.6 | K359 Q360 M366 T367 | K359-Q363 WeakPolarHBondContact O-CB 3.4Å; K359-Q363 PolarHBondContact O-N 3.02Å; Q360-Q363 PolarHBondContact O-N 2.79Å; Q360-Q363 VanDerWaalsContact O-N 3.08Å; Q363-M366 PolarHBondContact O-N 2.82Å; Q363-T367 WeakPolarHBondContact O-CG2 3.39Å; Q363-T367 PolarHBondContact O-N 3.3Å |
| 364 | E | 88.4 | Confident | 89.6 | Confident | 118 Ų | 118 | 101.2 Ų | 101.2 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.5 | -51.4 | 174.2 | -74.3 | 170.8 | 176.8 | 0 | 0 | 110.7 | Q360 M366 T367 E368 | Q360-E364 WeakPolarHBondContact O-CB 3.48Å; Q360-E364 WeakPolarHBondContact O-CG 3.23Å; Q360-E364 PolarHBondContact O-N 3.43Å; E364-M366 VanDerWaalsContact C-N 3.28Å; E364-M366 PolarHBondContact O-N 3.24Å; E364-T367 PolarHBondContact O-N 2.85Å; E364-T367 VanDerWaalsContact O-N 3.09Å; E364-T367 PolarHBondContact O-OG1 3.22Å; E364-E368 PolarHBondContact O-N 3.37Å |
| 365 | M | 92.2 | Very high | 90 | Very high | 120 Ų | 120 | 102 Ų | 102 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -53.9 | -41.3 | 174.1 | 179.4 | -169.2 | 67.3 | 0 | 0 | 112.5 | L361 T362 E368 K369 | L361-M365 VanDerWaalsContact O-CB 3.22Å; L361-M365 WeakPolarHBondContact O-CB 3.39Å; L361-M365 PolarHBondContact O-N 3.29Å; T362-M365 HydrophobicContact CG2-CE 4.36Å; M365-E368 PolarHBondContact O-N 2.85Å; M365-K369 WeakPolarHBondContact O-CB 3.37Å; M365-K369 PolarHBondContact O-N 3.01Å |
| 366 | M | 90.8 | Very high | 89.9 | Confident | 90 Ų | 90 | 99.1 Ų | 99.1 | 44% | 0.443 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 176 | -76.6 | -65.8 | -63.1 | 0 | 0 | 112 | T362 Q363 E364 E368 K369 E370 | T362-M366 VanDerWaalsContact O-CG 3.31Å; T362-M366 WeakPolarHBondContact O-CG 3.44Å; T362-M366 PolarHBondContact O-N 3.44Å; T362-M366 VanDerWaalsContact O-N 3.09Å; Q363-M366 PolarHBondContact O-N 2.82Å; E364-M366 VanDerWaalsContact C-N 3.28Å; E364-M366 PolarHBondContact O-N 3.24Å; M366-E368 VanDerWaalsContact C-N 3.28Å; M366-E368 PolarHBondContact O-N 3.45Å; M366-K369 PolarHBondContact O-N 3.22Å; M366-E370 WeakPolarHBondContact O-CG 3.28Å; M366-E370 PolarHBondContact O-N 2.95Å |
| 367 | T | 88.4 | Confident | 90 | Very high | 43 Ų | 43 | 97.4 Ų | 97.4 | 26% | 0.264 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -33.4 | 175.6 | 66.5 | 0 | 0 | 0 | 0 | 112.4 | Q363 E364 E370 R371 | Q363-T367 WeakPolarHBondContact O-CG2 3.39Å; Q363-T367 PolarHBondContact O-N 3.3Å; E364-T367 PolarHBondContact O-N 2.85Å; E364-T367 VanDerWaalsContact O-N 3.09Å; E364-T367 PolarHBondContact O-OG1 3.22Å; T367-E370 WeakPolarHBondContact O-CB 3.47Å; T367-E370 PolarHBondContact O-N 2.8Å; T367-R371 WeakPolarHBondContact O-CG 3.36Å; T367-R371 PolarHBondContact O-N 2.75Å; T367-R371 PolarHBondContact OG1-NH1 2.8Å; T367-R371 PolarHBondContact OG1-NH2 3Å |
| 368 | E | 83.9 | Confident | 90.1 | Very high | 104 Ų | 104 | 98.6 Ų | 98.6 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -75.9 | -34.2 | 179.6 | -160.2 | 53 | -136.5 | 0 | 0 | 112 | E364 M365 M366 E370 R371 S372 | E364-E368 PolarHBondContact O-N 3.37Å; M365-E368 PolarHBondContact O-N 2.85Å; M366-E368 VanDerWaalsContact C-N 3.28Å; M366-E368 PolarHBondContact O-N 3.45Å; E368-E370 VanDerWaalsContact C-N 3.29Å; E368-E370 PolarHBondContact O-N 3.13Å; E368-R371 PolarHBondContact O-N 3.45Å; E368-R371 WeakPolarHBondContact OE2-CD 3.26Å; E368-R371 IonicContact OE2-CZ 3.68Å; E368-R371 IonicContact OE2-NE 3.35Å; E368-R371 IonicContact OE2-NH1 3.26Å; E368-R371 PolarHBondContact OE2-NH1 3.15Å; E368-S372 WeakPolarHBondContact O-CB 3.39Å; E368-S372 PolarHBondContact O-N 2.99Å |
| 369 | K | 92.8 | Very high | 90.3 | Very high | 145 Ų | 145 | 100.4 Ų | 100.4 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60 | -39.6 | 167.2 | -176.5 | 179.2 | 178.9 | -179.7 | 0 | 111.7 | M365 M366 S373 | M365-K369 WeakPolarHBondContact O-CB 3.37Å; M365-K369 PolarHBondContact O-N 3.01Å; M366-K369 PolarHBondContact O-N 3.22Å; K369-S373 WeakPolarHBondContact O-CB 3.49Å; K369-S373 PolarHBondContact O-N 2.87Å |
| 370 | E | 91.1 | Very high | 90.2 | Very high | 122 Ų | 122 | 102.3 Ų | 102.3 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68 | -45.7 | 175 | -72 | 171.9 | 179.1 | 0 | 0 | 112 | M366 T367 E368 S372 S373 V374 | M366-E370 WeakPolarHBondContact O-CG 3.28Å; M366-E370 PolarHBondContact O-N 2.95Å; T367-E370 WeakPolarHBondContact O-CB 3.47Å; T367-E370 PolarHBondContact O-N 2.8Å; E368-E370 VanDerWaalsContact C-N 3.29Å; E368-E370 PolarHBondContact O-N 3.13Å; E370-S372 PolarHBondContact O-N 2.85Å; E370-S373 PolarHBondContact O-N 3.39Å; E370-V374 WeakPolarHBondContact O-CG2 3.26Å; E370-V374 PolarHBondContact O-N 3.25Å |
| 371 | R | 92 | Very high | 90.4 | Very high | 132 Ų | 132 | 102.9 Ų | 102.9 | 50% | 0.498 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.8 | -48.5 | 173.3 | -70.9 | -176.1 | -161 | 90.5 | 12.3 | 111.6 | T367 E368 S373 V374 V375 | T367-R371 WeakPolarHBondContact O-CG 3.36Å; T367-R371 PolarHBondContact O-N 2.75Å; T367-R371 PolarHBondContact OG1-NH1 2.8Å; T367-R371 PolarHBondContact OG1-NH2 3Å; E368-R371 PolarHBondContact O-N 3.45Å; E368-R371 WeakPolarHBondContact OE2-CD 3.26Å; E368-R371 IonicContact OE2-CZ 3.68Å; E368-R371 IonicContact OE2-NE 3.35Å; E368-R371 IonicContact OE2-NH1 3.26Å; E368-R371 PolarHBondContact OE2-NH1 3.15Å; R371-S373 VanDerWaalsContact C-N 3.34Å; R371-S373 PolarHBondContact O-N 3.36Å; R371-V374 PolarHBondContact O-N 3.49Å; R371-V374 VanDerWaalsContact O-N 3.14Å; R371-V375 WeakPolarHBondContact O-CG2 3.17Å; R371-V375 PolarHBondContact O-N 3.1Å |
| 372 | S | 87.1 | Confident | 90.5 | Very high | 60 Ų | 60 | 103.4 Ų | 103.4 | 42% | 0.42 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.7 | -44.9 | 176 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | E368 E370 V374 V375 I376 | E368-S372 WeakPolarHBondContact O-CB 3.39Å; E368-S372 PolarHBondContact O-N 2.99Å; E370-S372 PolarHBondContact O-N 2.85Å; S372-V374 VanDerWaalsContact C-N 3.32Å; S372-V374 PolarHBondContact O-N 3.37Å; S372-V375 PolarHBondContact O-N 3.49Å; S372-I376 VanDerWaalsContact O-CG1 3.31Å; S372-I376 WeakPolarHBondContact O-CG1 3.32Å; S372-I376 PolarHBondContact O-N 3.43Å |
| 373 | S | 90.4 | Very high | 90.5 | Very high | 76 Ų | 76 | 104 Ų | 104 | 53% | 0.531 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 175.8 | -169 | 0 | 0 | 0 | 0 | 112.9 | K369 E370 R371 A377 | K369-S373 WeakPolarHBondContact O-CB 3.49Å; K369-S373 PolarHBondContact O-N 2.87Å; E370-S373 PolarHBondContact O-N 3.39Å; R371-S373 VanDerWaalsContact C-N 3.34Å; R371-S373 PolarHBondContact O-N 3.36Å; S373-A377 WeakPolarHBondContact O-CB 3.47Å; S373-A377 PolarHBondContact O-N 3.5Å |
| 374 | V | 92.4 | Very high | 90.6 | Very high | 72 Ų | 72 | 98.2 Ų | 98.2 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.1 | -37.8 | 175.3 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | E370 R371 S372 A377 R378 | E370-V374 WeakPolarHBondContact O-CG2 3.26Å; E370-V374 PolarHBondContact O-N 3.25Å; R371-V374 PolarHBondContact O-N 3.49Å; R371-V374 VanDerWaalsContact O-N 3.14Å; S372-V374 VanDerWaalsContact C-N 3.32Å; S372-V374 PolarHBondContact O-N 3.37Å; V374-A377 PolarHBondContact O-N 3.39Å; V374-R378 WeakPolarHBondContact O-CG 3.36Å; V374-R378 PolarHBondContact O-N 2.9Å |
| 375 | V | 90.3 | Very high | 90.7 | Very high | 73 Ų | 73 | 95.1 Ų | 95.1 | 44% | 0.442 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 173.5 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | R371 S372 A377 R378 M379 | R371-V375 WeakPolarHBondContact O-CG2 3.17Å; R371-V375 PolarHBondContact O-N 3.1Å; S372-V375 PolarHBondContact O-N 3.49Å; V375-A377 VanDerWaalsContact C-N 3.31Å; V375-A377 PolarHBondContact O-N 3.42Å; V375-R378 PolarHBondContact O-N 3.19Å; V375-M379 HydrophobicContact CG1-CG 4.37Å; V375-M379 WeakPolarHBondContact O-CG 3.47Å; V375-M379 PolarHBondContact O-N 3.31Å |
| 376 | I | 89 | Confident | 90.5 | Very high | 87 Ų | 87 | 93.3 Ų | 93.3 | 45% | 0.446 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.9 | -39.9 | 177 | -68.7 | 164.5 | 0 | 0 | 0 | 111.2 | S372 M379 K380 | S372-I376 VanDerWaalsContact O-CG1 3.31Å; S372-I376 WeakPolarHBondContact O-CG1 3.32Å; S372-I376 PolarHBondContact O-N 3.43Å; I376-M379 PolarHBondContact O-N 3.08Å; I376-K380 HydrophobicContact CG2-CD 4.41Å; I376-K380 WeakPolarHBondContact O-CG 3.47Å; I376-K380 PolarHBondContact O-N 3.13Å |
| 377 | A | 92.4 | Very high | 90.4 | Very high | 46 Ų | 46 | 94.5 Ų | 94.5 | 38% | 0.38 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.2 | -51.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S373 V374 V375 M379 K380 D381 | S373-A377 WeakPolarHBondContact O-CB 3.47Å; S373-A377 PolarHBondContact O-N 3.5Å; V374-A377 PolarHBondContact O-N 3.39Å; V375-A377 VanDerWaalsContact C-N 3.31Å; V375-A377 PolarHBondContact O-N 3.42Å; A377-M379 VanDerWaalsContact C-N 3.29Å; A377-M379 PolarHBondContact O-N 3.01Å; A377-K380 WeakPolarHBondContact O-CB 3.27Å; A377-K380 PolarHBondContact O-N 3.47Å; A377-K380 VanDerWaalsContact O-N 3.11Å; A377-D381 PolarHBondContact O-N 3.08Å |
| 378 | R | 93.1 | Very high | 90.6 | Very high | 171 Ų | 171 | 99.2 Ų | 99.2 | 65% | 0.645 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -58.9 | -37.7 | 177.5 | -70.4 | 173 | -175.9 | 174.5 | 2.4 | 113 | V374 V375 D381 R382 | V374-R378 WeakPolarHBondContact O-CG 3.36Å; V374-R378 PolarHBondContact O-N 2.9Å; V375-R378 PolarHBondContact O-N 3.19Å; R378-D381 PolarHBondContact O-N 3.05Å; R378-R382 PolarHBondContact O-N 3.49Å |
| 379 | M | 90.4 | Very high | 90.8 | Very high | 119 Ų | 119 | 98.8 Ų | 98.8 | 59% | 0.586 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.6 | -40.2 | 176.6 | -69.1 | -61.2 | 177.3 | 0 | 0 | 111.7 | V375 I376 A377 R382 I383 | V375-M379 HydrophobicContact CG1-CG 4.37Å; V375-M379 WeakPolarHBondContact O-CG 3.47Å; V375-M379 PolarHBondContact O-N 3.31Å; I376-M379 PolarHBondContact O-N 3.08Å; A377-M379 VanDerWaalsContact C-N 3.29Å; A377-M379 PolarHBondContact O-N 3.01Å; M379-R382 PolarHBondContact O-N 3.39Å; M379-I383 WeakPolarHBondContact O-CB 3.49Å; M379-I383 WeakPolarHBondContact O-CD1 3.24Å; M379-I383 VanDerWaalsContact O-CG1 3.25Å; M379-I383 WeakPolarHBondContact O-CG1 3.33Å; M379-I383 PolarHBondContact O-N 3.44Å |
| 380 | K | 92.1 | Very high | 90.6 | Very high | 144 Ų | 144 | 97.3 Ų | 97.3 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.1 | -42.4 | 172.6 | -74 | 179.5 | 178.6 | -174 | 0 | 112.2 | I376 A377 I383 G384 | I376-K380 HydrophobicContact CG2-CD 4.41Å; I376-K380 WeakPolarHBondContact O-CG 3.47Å; I376-K380 PolarHBondContact O-N 3.13Å; A377-K380 WeakPolarHBondContact O-CB 3.27Å; A377-K380 PolarHBondContact O-N 3.47Å; A377-K380 VanDerWaalsContact O-N 3.11Å; K380-I383 PolarHBondContact O-N 3.07Å; K380-G384 PolarHBondContact O-N 2.96Å |
| 381 | D | 92.6 | Very high | 90.6 | Very high | 113 Ų | 113 | 95.5 Ų | 95.5 | 60% | 0.604 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.4 | -43.3 | 175.1 | -68.7 | -28.3 | 0 | 0 | 0 | 111.3 | A377 R378 G384 T385 | A377-D381 PolarHBondContact O-N 3.08Å; R378-D381 PolarHBondContact O-N 3.05Å; D381-G384 CarbonylContact O-C 3.57Å; D381-G384 PolarHBondContact O-N 2.92Å; D381-T385 PolarHBondContact O-N 3.22Å |
| 382 | R | 91.5 | Very high | 90.6 | Very high | 122 Ų | 122 | 93.9 Ų | 93.9 | 46% | 0.46 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 177 | -173.2 | 63.5 | -172.4 | 130.6 | -4 | 111.9 | R378 M379 G384 T385 L386 E389 | R378-R382 PolarHBondContact O-N 3.49Å; M379-R382 PolarHBondContact O-N 3.39Å; R382-G384 VanDerWaalsContact C-N 3.34Å; R382-G384 PolarHBondContact O-N 3.46Å; R382-T385 WeakPolarHBondContact CA-OG1 3.5Å; R382-T385 WeakPolarHBondContact CD-OG1 3.39Å; R382-T385 PolarHBondContact NH1-OG1 3.22Å; R382-T385 PolarHBondContact O-N 2.99Å; R382-T385 VanDerWaalsContact O-N 3.13Å; R382-T385 PolarHBondContact O-OG1 3.28Å; R382-L386 HydrophobicContact CG-CD1 4.14Å; R382-L386 WeakPolarHBondContact O-CG 3.3Å; R382-L386 PolarHBondContact O-N 3.36Å; R382-E389 IonicContact NH1-OE1 3.65Å; R382-E389 PolarHBondContact NH1-OE1 2.85Å; R382-E389 IonicContact NH1-OE2 2.62Å; R382-E389 IonicContact NH2-OE2 2.73Å |
| 383 | I | 88.6 | Confident | 90.8 | Very high | 89 Ų | 89 | 97 Ų | 97 | 46% | 0.456 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.5 | -49.5 | 172.5 | -69.7 | 163.1 | 0 | 0 | 0 | 109.8 | M379 K380 T385 L386 E387 | M379-I383 WeakPolarHBondContact O-CB 3.49Å; M379-I383 WeakPolarHBondContact O-CD1 3.24Å; M379-I383 VanDerWaalsContact O-CG1 3.25Å; M379-I383 WeakPolarHBondContact O-CG1 3.33Å; M379-I383 PolarHBondContact O-N 3.44Å; K380-I383 PolarHBondContact O-N 3.07Å; I383-T385 PolarHBondContact O-N 2.94Å; I383-L386 PolarHBondContact O-N 2.89Å; I383-E387 HydrophobicContact CG2-CG 4.23Å; I383-E387 WeakPolarHBondContact CG2-OE1 3.35Å; I383-E387 WeakPolarHBondContact O-CG 3.5Å; I383-E387 PolarHBondContact O-N 3.23Å |
| 384 | G | 92.3 | Very high | 90.8 | Very high | 16 Ų | 16 | 98.5 Ų | 98.5 | 17% | 0.165 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -65.1 | -18.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | K380 D381 R382 K388 | K380-G384 PolarHBondContact O-N 2.96Å; D381-G384 CarbonylContact O-C 3.57Å; D381-G384 PolarHBondContact O-N 2.92Å; R382-G384 VanDerWaalsContact C-N 3.34Å; R382-G384 PolarHBondContact O-N 3.46Å; G384-K388 VanDerWaalsContact O-CD 3.22Å; G384-K388 WeakPolarHBondContact O-CD 3.35Å; G384-K388 WeakPolarHBondContact O-CE 3.46Å; G384-K388 VanDerWaalsContact O-CG 3.27Å; G384-K388 WeakPolarHBondContact O-CG 3.3Å |
| 385 | T | 91.1 | Very high | 90.7 | Very high | 53 Ų | 53 | 100.2 Ų | 100.2 | 33% | 0.325 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -79.8 | -45.3 | 166 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | D381 R382 I383 E387 K388 E389 | D381-T385 PolarHBondContact O-N 3.22Å; R382-T385 WeakPolarHBondContact CA-OG1 3.5Å; R382-T385 WeakPolarHBondContact CD-OG1 3.39Å; R382-T385 PolarHBondContact NH1-OG1 3.22Å; R382-T385 PolarHBondContact O-N 2.99Å; R382-T385 VanDerWaalsContact O-N 3.13Å; R382-T385 PolarHBondContact O-OG1 3.28Å; I383-T385 PolarHBondContact O-N 2.94Å; T385-E387 VanDerWaalsContact C-N 3.33Å; T385-E387 PolarHBondContact O-N 2.89Å; T385-K388 PolarHBondContact O-N 3.18Å; T385-K388 VanDerWaalsContact O-N 3.1Å; T385-E389 WeakPolarHBondContact O-CB 3.33Å; T385-E389 VanDerWaalsContact O-CG 3.31Å; T385-E389 WeakPolarHBondContact O-CG 3.39Å; T385-E389 PolarHBondContact O-N 3.44Å |
| 386 | L | 88.6 | Confident | 90.9 | Very high | 83 Ų | 83 | 103.7 Ų | 103.7 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.6 | -37.9 | 178.5 | -71.1 | 167.2 | 0 | 0 | 0 | 112.1 | R382 I383 K388 E389 H390 | R382-L386 HydrophobicContact CG-CD1 4.14Å; R382-L386 WeakPolarHBondContact O-CG 3.3Å; R382-L386 PolarHBondContact O-N 3.36Å; I383-L386 PolarHBondContact O-N 2.89Å; L386-K388 VanDerWaalsContact C-N 3.35Å; L386-K388 PolarHBondContact O-N 3.06Å; L386-E389 PolarHBondContact O-N 3.39Å; L386-H390 VanDerWaalsContact O-CB 3.3Å; L386-H390 WeakPolarHBondContact O-CB 3.44Å; L386-H390 PolarHBondContact O-N 3.4Å |
| 387 | E | 88.3 | Confident | 90.8 | Very high | 114 Ų | 114 | 104.9 Ų | 104.9 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 172.9 | -72.9 | 171.9 | 166.7 | 0 | 0 | 111.8 | I383 T385 N391 | I383-E387 HydrophobicContact CG2-CG 4.23Å; I383-E387 WeakPolarHBondContact CG2-OE1 3.35Å; I383-E387 WeakPolarHBondContact O-CG 3.5Å; I383-E387 PolarHBondContact O-N 3.23Å; T385-E387 VanDerWaalsContact C-N 3.33Å; T385-E387 PolarHBondContact O-N 2.89Å; E387-N391 WeakPolarHBondContact O-CB 3.47Å; E387-N391 PolarHBondContact O-N 3.48Å; E387-N391 PolarHBondContact O-ND2 2.83Å |
| 388 | K | 93 | Very high | 90.7 | Very high | 143 Ų | 143 | 108.7 Ų | 108.7 | 62% | 0.622 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.2 | -43.3 | 176.5 | -69.8 | 168.3 | -168.6 | 166 | 0 | 111.5 | G384 T385 L386 H390 N391 I392 | G384-K388 VanDerWaalsContact O-CD 3.22Å; G384-K388 WeakPolarHBondContact O-CD 3.35Å; G384-K388 WeakPolarHBondContact O-CE 3.46Å; G384-K388 VanDerWaalsContact O-CG 3.27Å; G384-K388 WeakPolarHBondContact O-CG 3.3Å; T385-K388 PolarHBondContact O-N 3.18Å; T385-K388 VanDerWaalsContact O-N 3.1Å; L386-K388 VanDerWaalsContact C-N 3.35Å; L386-K388 PolarHBondContact O-N 3.06Å; K388-H390 VanDerWaalsContact C-N 3.32Å; K388-H390 PolarHBondContact O-N 3.19Å; K388-N391 PolarHBondContact O-N 3.25Å; K388-I392 WeakPolarHBondContact O-CB 3.38Å; K388-I392 WeakPolarHBondContact O-CD1 3.14Å; K388-I392 VanDerWaalsContact O-CG1 3.23Å; K388-I392 WeakPolarHBondContact O-CG1 3.15Å; K388-I392 PolarHBondContact O-N 3.29Å |
| 389 | E | 88.4 | Confident | 90.5 | Very high | 94 Ų | 94 | 102.5 Ų | 102.5 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.3 | -45 | 174.1 | -71.3 | 162.2 | -148.5 | 0 | 0 | 110.6 | R382 T385 L386 I392 F393 | R382-E389 IonicContact NH1-OE1 3.65Å; R382-E389 PolarHBondContact NH1-OE1 2.85Å; R382-E389 IonicContact NH1-OE2 2.62Å; R382-E389 IonicContact NH2-OE2 2.73Å; T385-E389 WeakPolarHBondContact O-CB 3.33Å; T385-E389 VanDerWaalsContact O-CG 3.31Å; T385-E389 WeakPolarHBondContact O-CG 3.39Å; T385-E389 PolarHBondContact O-N 3.44Å; L386-E389 PolarHBondContact O-N 3.39Å; E389-I392 PolarHBondContact O-N 3.5Å; E389-F393 WeakPolarHBondContact O-CB 3.4Å; E389-F393 PolarHBondContact O-N 3.31Å |
| 390 | H | 88.9 | Confident | 90.3 | Very high | 114 Ų | 114 | 99.9 Ų | 99.9 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 176.2 | -173.2 | 81.8 | 0 | 0 | 0 | 112.8 | L386 K388 I392 F393 Q394 | L386-H390 VanDerWaalsContact O-CB 3.3Å; L386-H390 WeakPolarHBondContact O-CB 3.44Å; L386-H390 PolarHBondContact O-N 3.4Å; K388-H390 VanDerWaalsContact C-N 3.32Å; K388-H390 PolarHBondContact O-N 3.19Å; H390-I392 VanDerWaalsContact C-N 3.33Å; H390-I392 PolarHBondContact O-N 2.92Å; H390-F393 PolarHBondContact O-N 2.82Å; H390-Q394 WeakPolarHBondContact O-CB 3.34Å; H390-Q394 PolarHBondContact O-N 3.07Å |
| 391 | N | 89.4 | Confident | 90.3 | Very high | 85 Ų | 85 | 99.6 Ų | 99.6 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 175.8 | -83.9 | -86.6 | 0 | 0 | 0 | 112 | E387 K388 N395 | E387-N391 WeakPolarHBondContact O-CB 3.47Å; E387-N391 PolarHBondContact O-N 3.48Å; E387-N391 PolarHBondContact O-ND2 2.83Å; K388-N391 PolarHBondContact O-N 3.25Å; N391-N395 WeakPolarHBondContact O-CB 3.31Å; N391-N395 PolarHBondContact O-N 3.41Å; N391-N395 PolarHBondContact O-ND2 2.96Å |
| 392 | I | 92 | Very high | 90.3 | Very high | 97 Ų | 97 | 100.3 Ų | 100.3 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 175 | -70.1 | 164 | 0 | 0 | 0 | 110.5 | K388 E389 H390 N395 K396 | K388-I392 WeakPolarHBondContact O-CB 3.38Å; K388-I392 WeakPolarHBondContact O-CD1 3.14Å; K388-I392 VanDerWaalsContact O-CG1 3.23Å; K388-I392 WeakPolarHBondContact O-CG1 3.15Å; K388-I392 PolarHBondContact O-N 3.29Å; E389-I392 PolarHBondContact O-N 3.5Å; H390-I392 VanDerWaalsContact C-N 3.33Å; H390-I392 PolarHBondContact O-N 2.92Å; I392-N395 PolarHBondContact O-N 3.4Å; I392-K396 HydrophobicContact CG2-CD 4.33Å; I392-K396 WeakPolarHBondContact O-CB 3.36Å; I392-K396 WeakPolarHBondContact O-CG 3.38Å; I392-K396 PolarHBondContact O-N 3.05Å |
| 393 | F | 92.8 | Very high | 90.1 | Very high | 126 Ų | 126 | 100.8 Ų | 100.8 | 55% | 0.553 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -44.5 | 176.8 | -178.6 | -106.2 | 0 | 0 | 0 | 112.3 | E389 H390 N395 K396 M397 | E389-F393 WeakPolarHBondContact O-CB 3.4Å; E389-F393 PolarHBondContact O-N 3.31Å; H390-F393 PolarHBondContact O-N 2.82Å; F393-N395 PolarHBondContact O-N 2.88Å; F393-K396 PolarHBondContact O-N 3.17Å; F393-M397 HydrophobicContact CD1-CE 4.06Å; F393-M397 HydrophobicContact CE1-CE 3.36Å; F393-M397 HydrophobicContact CZ-CE 3.87Å; F393-M397 WeakPolarHBondContact O-CB 3.44Å; F393-M397 PolarHBondContact O-N 3.16Å |
| 394 | Q | 89.7 | Confident | 90 | Very high | 107 Ų | 107 | 100.2 Ų | 100.2 | 50% | 0.5 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 176.3 | -170.1 | 178.9 | 28.5 | 0 | 0 | 111.8 | H390 M397 H398 | H390-Q394 WeakPolarHBondContact O-CB 3.34Å; H390-Q394 PolarHBondContact O-N 3.07Å; Q394-M397 PolarHBondContact O-N 3.25Å; Q394-H398 PolarHBondContact O-N 3.48Å |
| 395 | N | 91.2 | Very high | 89.9 | Confident | 108 Ų | 108 | 103.7 Ų | 103.7 | 58% | 0.578 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.6 | -41.8 | 175.4 | -75.5 | -47 | 0 | 0 | 0 | 112.3 | N391 I392 F393 H398 A399 | N391-N395 WeakPolarHBondContact O-CB 3.31Å; N391-N395 PolarHBondContact O-N 3.41Å; N391-N395 PolarHBondContact O-ND2 2.96Å; I392-N395 PolarHBondContact O-N 3.4Å; F393-N395 PolarHBondContact O-N 2.88Å; N395-H398 PolarHBondContact O-N 3.24Å; N395-A399 WeakPolarHBondContact O-CB 3.15Å; N395-A399 PolarHBondContact O-N 3.45Å |
| 396 | K | 93.3 | Very high | 89.8 | Confident | 147 Ų | 147 | 106.7 Ų | 106.7 | 64% | 0.639 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 173.5 | -78.3 | -179.3 | 175.4 | -171.6 | 0 | 112.2 | I392 F393 A399 S400 | I392-K396 HydrophobicContact CG2-CD 4.33Å; I392-K396 WeakPolarHBondContact O-CB 3.36Å; I392-K396 WeakPolarHBondContact O-CG 3.38Å; I392-K396 PolarHBondContact O-N 3.05Å; F393-K396 PolarHBondContact O-N 3.17Å; K396-A399 PolarHBondContact O-N 2.91Å; K396-S400 VanDerWaalsContact O-CB 3.27Å; K396-S400 WeakPolarHBondContact O-CB 3.35Å; K396-S400 PolarHBondContact O-N 2.72Å |
| 397 | M | 86.3 | Confident | 89.9 | Confident | 112 Ų | 112 | 109.1 Ų | 109.1 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.4 | -43.6 | 177.1 | -172.2 | -168.5 | -60.9 | 0 | 0 | 111.3 | F393 Q394 Y401 | F393-M397 HydrophobicContact CD1-CE 4.06Å; F393-M397 HydrophobicContact CE1-CE 3.36Å; F393-M397 HydrophobicContact CZ-CE 3.87Å; F393-M397 WeakPolarHBondContact O-CB 3.44Å; F393-M397 PolarHBondContact O-N 3.16Å; Q394-M397 PolarHBondContact O-N 3.25Å; M397-Y401 WeakPolarHBondContact O-CB 3.36Å; M397-Y401 PolarHBondContact O-N 3.42Å |
| 398 | H | 90.3 | Very high | 89.8 | Confident | 126 Ų | 126 | 110 Ų | 110 | 58% | 0.583 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.4 | -41.5 | 177.8 | -167 | 61.2 | 0 | 0 | 0 | 112.5 | Q394 N395 Y401 Q402 | Q394-H398 PolarHBondContact O-N 3.48Å; N395-H398 PolarHBondContact O-N 3.24Å; H398-Y401 PolarHBondContact O-N 3.34Å; H398-Q402 PolarHBondContact O-N 3.27Å |
| 399 | A | 89.1 | Confident | 89.7 | Confident | 41 Ų | 41 | 109.2 Ų | 109.2 | 34% | 0.339 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N395 K396 Y401 Q402 E403 | N395-A399 WeakPolarHBondContact O-CB 3.15Å; N395-A399 PolarHBondContact O-N 3.45Å; K396-A399 PolarHBondContact O-N 2.91Å; A399-Y401 VanDerWaalsContact C-N 3.31Å; A399-Y401 PolarHBondContact O-N 3.45Å; A399-Q402 WeakPolarHBondContact O-CB 3.29Å; A399-Q402 PolarHBondContact O-N 2.89Å; A399-Q402 VanDerWaalsContact O-N 3.1Å; A399-E403 WeakPolarHBondContact O-CG 3.43Å; A399-E403 PolarHBondContact O-N 3.02Å |
| 400 | S | 86 | Confident | 89.9 | Confident | 64 Ų | 64 | 110 Ų | 110 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.9 | -37.9 | 176.7 | 179.5 | 0 | 0 | 0 | 0 | 112.3 | K396 E403 T404 | K396-S400 VanDerWaalsContact O-CB 3.27Å; K396-S400 WeakPolarHBondContact O-CB 3.35Å; K396-S400 PolarHBondContact O-N 2.72Å; S400-E403 PolarHBondContact O-N 2.85Å; S400-T404 WeakPolarHBondContact O-CB 3.44Å; S400-T404 PolarHBondContact O-N 3.48Å; S400-T404 PolarHBondContact O-OG1 3.12Å |
| 401 | Y | 93 | Very high | 89.9 | Confident | 138 Ų | 138 | 111.5 Ų | 111.5 | 54% | 0.541 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 172.3 | -177.5 | -102.4 | 0 | 0 | 0 | 112.2 | M397 H398 A399 T404 Q405 | M397-Y401 WeakPolarHBondContact O-CB 3.36Å; M397-Y401 PolarHBondContact O-N 3.42Å; H398-Y401 PolarHBondContact O-N 3.34Å; A399-Y401 VanDerWaalsContact C-N 3.31Å; A399-Y401 PolarHBondContact O-N 3.45Å; Y401-T404 WeakPolarHBondContact O-CB 3.47Å; Y401-T404 PolarHBondContact O-N 2.83Å; Y401-Q405 HydrophobicContact CE1-CG 4.24Å; Y401-Q405 VanDerWaalsContact CZ-NE2 3.34Å; Y401-Q405 PolarHBondContact O-N 3.43Å; Y401-Q405 PolarHBondContact OH-NE2 2.92Å; Y401-Q405 VanDerWaalsContact OH-NE2 3.11Å |
| 402 | Q | 92.1 | Very high | 90.1 | Very high | 128 Ų | 128 | 112 Ų | 112 | 60% | 0.598 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.4 | -40 | 176.5 | -170.1 | 178.2 | 16.6 | 0 | 0 | 112.3 | H398 A399 Q405 Q406 | H398-Q402 PolarHBondContact O-N 3.27Å; A399-Q402 WeakPolarHBondContact O-CB 3.29Å; A399-Q402 PolarHBondContact O-N 2.89Å; A399-Q402 VanDerWaalsContact O-N 3.1Å; Q402-Q405 PolarHBondContact O-N 2.98Å; Q402-Q406 PolarHBondContact O-N 2.83Å |
| 403 | E | 87.4 | Confident | 90.1 | Very high | 132 Ų | 132 | 113.7 Ų | 113.7 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.2 | -40.2 | 172.9 | -73 | 176.5 | 177.7 | 0 | 0 | 111.7 | A399 S400 Q406 M407 | A399-E403 WeakPolarHBondContact O-CG 3.43Å; A399-E403 PolarHBondContact O-N 3.02Å; S400-E403 PolarHBondContact O-N 2.85Å; E403-Q406 PolarHBondContact O-N 3.1Å; E403-M407 WeakPolarHBondContact O-CB 3.49Å; E403-M407 PolarHBondContact O-N 2.85Å |
| 404 | T | 87.3 | Confident | 90 | Very high | 76 Ų | 76 | 112.1 Ų | 112.1 | 47% | 0.466 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 175.1 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | S400 Y401 Q406 M407 Q408 | S400-T404 WeakPolarHBondContact O-CB 3.44Å; S400-T404 PolarHBondContact O-N 3.48Å; S400-T404 PolarHBondContact O-OG1 3.12Å; Y401-T404 WeakPolarHBondContact O-CB 3.47Å; Y401-T404 PolarHBondContact O-N 2.83Å; T404-Q406 PolarHBondContact O-N 3.28Å; T404-M407 PolarHBondContact O-N 3.42Å; T404-Q408 WeakPolarHBondContact O-CB 3.28Å; T404-Q408 PolarHBondContact O-N 3.38Å |
| 405 | Q | 89.2 | Confident | 90 | Very high | 90 Ų | 90 | 110.8 Ų | 110.8 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 173.1 | -73.8 | -171 | -14.3 | 0 | 0 | 112 | Y401 Q402 M407 Q408 M409 | Y401-Q405 HydrophobicContact CE1-CG 4.24Å; Y401-Q405 VanDerWaalsContact CZ-NE2 3.34Å; Y401-Q405 PolarHBondContact O-N 3.43Å; Y401-Q405 PolarHBondContact OH-NE2 2.92Å; Y401-Q405 VanDerWaalsContact OH-NE2 3.11Å; Q402-Q405 PolarHBondContact O-N 2.98Å; Q405-M407 VanDerWaalsContact C-N 3.33Å; Q405-M407 PolarHBondContact O-N 3.35Å; Q405-Q408 PolarHBondContact O-N 3.01Å; Q405-M409 WeakPolarHBondContact O-CG 3.44Å; Q405-M409 PolarHBondContact O-N 3.27Å |
| 406 | Q | 90.5 | Very high | 90.1 | Very high | 116 Ų | 116 | 111 Ų | 111 | 54% | 0.542 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 177.6 | -161.9 | -163.2 | 77.7 | 0 | 0 | 111.9 | Q402 E403 T404 K410 | Q402-Q406 PolarHBondContact O-N 2.83Å; E403-Q406 PolarHBondContact O-N 3.1Å; T404-Q406 PolarHBondContact O-N 3.28Å; Q406-K410 VanDerWaalsContact O-CG 3.31Å; Q406-K410 WeakPolarHBondContact O-CG 3.29Å; Q406-K410 PolarHBondContact O-N 2.81Å |
| 407 | M | 89.5 | Confident | 90.1 | Very high | 133 Ų | 133 | 110.1 Ų | 110.1 | 66% | 0.655 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.6 | -41.4 | 175.2 | -167.2 | -175.7 | -58.6 | 0 | 0 | 111.4 | E403 T404 Q405 K410 F411 | E403-M407 WeakPolarHBondContact O-CB 3.49Å; E403-M407 PolarHBondContact O-N 2.85Å; T404-M407 PolarHBondContact O-N 3.42Å; Q405-M407 VanDerWaalsContact C-N 3.33Å; Q405-M407 PolarHBondContact O-N 3.35Å; M407-K410 PolarHBondContact O-N 3.43Å; M407-F411 WeakPolarHBondContact O-CB 3.22Å; M407-F411 PolarHBondContact O-N 2.87Å |
| 408 | Q | 86.3 | Confident | 90.3 | Very high | 132 Ų | 132 | 109.8 Ų | 109.8 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.6 | -43.9 | 176 | -169.7 | 173.4 | 15.6 | 0 | 0 | 111.7 | T404 Q405 K410 F411 Q412 | T404-Q408 WeakPolarHBondContact O-CB 3.28Å; T404-Q408 PolarHBondContact O-N 3.38Å; Q405-Q408 PolarHBondContact O-N 3.01Å; Q408-K410 PolarHBondContact O-N 2.89Å; Q408-F411 PolarHBondContact O-N 2.99Å; Q408-Q412 PolarHBondContact O-N 3.46Å |
| 409 | M | 90.5 | Very high | 90.4 | Very high | 128 Ų | 128 | 108.9 Ų | 108.9 | 63% | 0.631 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.6 | -41.7 | 173.4 | -73.1 | -61.2 | -56.6 | 0 | 0 | 112.5 | Q405 Q412 Q413 | Q405-M409 WeakPolarHBondContact O-CG 3.44Å; Q405-M409 PolarHBondContact O-N 3.27Å; M409-Q412 PolarHBondContact O-N 3.42Å; M409-Q413 WeakPolarHBondContact O-CB 3.42Å; M409-Q413 PolarHBondContact O-N 3.37Å |
| 410 | K | 92.3 | Very high | 90.6 | Very high | 110 Ų | 110 | 109.9 Ų | 109.9 | 48% | 0.478 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 174.9 | -76.2 | 166.2 | 173.2 | 170.9 | 0 | 112.1 | Q406 M407 Q408 Q413 V414 | Q406-K410 VanDerWaalsContact O-CG 3.31Å; Q406-K410 WeakPolarHBondContact O-CG 3.29Å; Q406-K410 PolarHBondContact O-N 2.81Å; M407-K410 PolarHBondContact O-N 3.43Å; Q408-K410 PolarHBondContact O-N 2.89Å; K410-Q413 PolarHBondContact O-N 3.47Å; K410-V414 WeakPolarHBondContact O-CG2 3.44Å; K410-V414 PolarHBondContact O-N 3.22Å |
| 411 | F | 89.6 | Confident | 91 | Very high | 146 Ų | 146 | 112.5 Ų | 112.5 | 64% | 0.64 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.2 | -46.6 | 176.4 | -177.1 | -89.3 | 0 | 0 | 0 | 111 | M407 Q408 Q413 V414 Q415 | M407-F411 WeakPolarHBondContact O-CB 3.22Å; M407-F411 PolarHBondContact O-N 2.87Å; Q408-F411 PolarHBondContact O-N 2.99Å; F411-Q413 PolarHBondContact O-N 2.82Å; F411-V414 PolarHBondContact O-N 3.09Å; F411-Q415 PolarHBondContact O-N 3.25Å |
| 412 | Q | 93.5 | Very high | 91 | Very high | 95 Ų | 95 | 109.3 Ų | 109.3 | 44% | 0.444 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 176 | -177 | 171.2 | -19.5 | 0 | 0 | 112 | Q408 M409 V414 Q415 E416 | Q408-Q412 PolarHBondContact O-N 3.46Å; M409-Q412 PolarHBondContact O-N 3.42Å; Q412-V414 VanDerWaalsContact C-N 3.33Å; Q412-V414 PolarHBondContact O-N 2.82Å; Q412-Q415 WeakPolarHBondContact O-CB 3.47Å; Q412-Q415 PolarHBondContact O-N 3.32Å; Q412-E416 HydrophobicContact CG-CG 4.42Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.44Å; Q412-E416 PolarHBondContact NE2-OE1 3Å; Q412-E416 WeakPolarHBondContact O-CG 3.31Å; Q412-E416 PolarHBondContact O-N 2.89Å |
| 413 | Q | 92.4 | Very high | 90.9 | Very high | 132 Ų | 132 | 105.7 Ų | 105.7 | 62% | 0.617 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.2 | -39.9 | 175.5 | -172.8 | 179.2 | 10.5 | 0 | 0 | 112.5 | M409 K410 F411 Q417 | M409-Q413 WeakPolarHBondContact O-CB 3.42Å; M409-Q413 PolarHBondContact O-N 3.37Å; K410-Q413 PolarHBondContact O-N 3.47Å; F411-Q413 PolarHBondContact O-N 2.82Å; Q413-Q417 WeakPolarHBondContact O-CB 3.43Å; Q413-Q417 PolarHBondContact O-N 2.93Å |
| 414 | V | 91.1 | Very high | 91.3 | Very high | 93 Ų | 93 | 104.3 Ų | 104.3 | 56% | 0.564 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.1 | -37 | 175.2 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | K410 F411 Q412 Q417 M418 | K410-V414 WeakPolarHBondContact O-CG2 3.44Å; K410-V414 PolarHBondContact O-N 3.22Å; F411-V414 PolarHBondContact O-N 3.09Å; Q412-V414 VanDerWaalsContact C-N 3.33Å; Q412-V414 PolarHBondContact O-N 2.82Å; V414-Q417 PolarHBondContact O-N 3.37Å; V414-M418 WeakPolarHBondContact O-CB 3.4Å; V414-M418 PolarHBondContact O-N 3.48Å |
| 415 | Q | 90.1 | Very high | 91.6 | Very high | 80 Ų | 80 | 104.8 Ų | 104.8 | 37% | 0.374 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -48.6 | 173.2 | -178.4 | -179.7 | -20.6 | 0 | 0 | 111.2 | F411 Q412 Q417 M418 E419 | F411-Q415 PolarHBondContact O-N 3.25Å; Q412-Q415 WeakPolarHBondContact O-CB 3.47Å; Q412-Q415 PolarHBondContact O-N 3.32Å; Q415-Q417 VanDerWaalsContact C-N 3.31Å; Q415-Q417 PolarHBondContact O-N 3.2Å; Q415-M418 PolarHBondContact O-N 3.47Å; Q415-M418 VanDerWaalsContact O-N 3.17Å; Q415-E419 HydrophobicContact CG-CG 4.44Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.2Å; Q415-E419 PolarHBondContact NE2-OE1 3.43Å; Q415-E419 WeakPolarHBondContact O-CB 3.35Å; Q415-E419 WeakPolarHBondContact O-CG 3.45Å; Q415-E419 PolarHBondContact O-N 2.94Å |
| 416 | E | 93.6 | Very high | 91.7 | Very high | 111 Ų | 111 | 107.3 Ų | 107.3 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 177.3 | -73.1 | 173.5 | -165.6 | 0 | 0 | 111.7 | Q412 E419 A420 | Q412-E416 HydrophobicContact CG-CG 4.42Å; Q412-E416 WeakPolarHBondContact CG-OE1 3.44Å; Q412-E416 PolarHBondContact NE2-OE1 3Å; Q412-E416 WeakPolarHBondContact O-CG 3.31Å; Q412-E416 PolarHBondContact O-N 2.89Å; E416-E419 PolarHBondContact O-N 3.07Å; E416-A420 WeakPolarHBondContact O-CB 3.36Å; E416-A420 PolarHBondContact O-N 3.35Å |
| 417 | Q | 91.4 | Very high | 91.9 | Very high | 129 Ų | 129 | 108 Ų | 108 | 60% | 0.603 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.6 | -45.7 | 173.3 | -177.4 | 176.6 | -12 | 0 | 0 | 112.1 | Q413 V414 Q415 A420 E421 | Q413-Q417 WeakPolarHBondContact O-CB 3.43Å; Q413-Q417 PolarHBondContact O-N 2.93Å; V414-Q417 PolarHBondContact O-N 3.37Å; Q415-Q417 VanDerWaalsContact C-N 3.31Å; Q415-Q417 PolarHBondContact O-N 3.2Å; Q417-A420 PolarHBondContact O-N 3.35Å; Q417-E421 PolarHBondContact O-N 3.33Å |
| 418 | M | 92.1 | Very high | 92.1 | Very high | 105 Ų | 105 | 105.6 Ų | 105.6 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 177.7 | -178.3 | -178.7 | 63 | 0 | 0 | 111.8 | V414 Q415 E421 I422 | V414-M418 WeakPolarHBondContact O-CB 3.4Å; V414-M418 PolarHBondContact O-N 3.48Å; Q415-M418 PolarHBondContact O-N 3.47Å; Q415-M418 VanDerWaalsContact O-N 3.17Å; M418-E421 PolarHBondContact O-N 3.42Å; M418-I422 HydrophobicContact CG-CD1 3.89Å; M418-I422 WeakPolarHBondContact O-CB 3.4Å; M418-I422 VanDerWaalsContact O-CG1 3.23Å; M418-I422 WeakPolarHBondContact O-CG1 3.45Å; M418-I422 PolarHBondContact O-N 3.09Å |
| 419 | E | 92.7 | Very high | 92.3 | Very high | 107 Ų | 107 | 103.4 Ų | 103.4 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 175.9 | -74.5 | -176.7 | -154.4 | 0 | 0 | 111.9 | Q415 E416 I422 A423 | Q415-E419 HydrophobicContact CG-CG 4.44Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.2Å; Q415-E419 PolarHBondContact NE2-OE1 3.43Å; Q415-E419 WeakPolarHBondContact O-CB 3.35Å; Q415-E419 WeakPolarHBondContact O-CG 3.45Å; Q415-E419 PolarHBondContact O-N 2.94Å; E416-E419 PolarHBondContact O-N 3.07Å; E419-I422 PolarHBondContact O-N 2.82Å; E419-A423 WeakPolarHBondContact O-CB 3.37Å; E419-A423 PolarHBondContact O-N 2.95Å |
| 420 | A | 92.9 | Very high | 92.5 | Very high | 62 Ų | 62 | 98.2 Ų | 98.2 | 51% | 0.512 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | E416 Q417 A423 H424 | E416-A420 WeakPolarHBondContact O-CB 3.36Å; E416-A420 PolarHBondContact O-N 3.35Å; Q417-A420 PolarHBondContact O-N 3.35Å; A420-A423 WeakPolarHBondContact O-CB 3.3Å; A420-A423 PolarHBondContact O-N 3.5Å; A420-H424 PolarHBondContact O-N 3.5Å |
| 421 | E | 93.5 | Very high | 92.6 | Very high | 120 Ų | 120 | 97.7 Ų | 97.7 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.1 | -38.6 | 176.5 | -170.5 | 164.1 | -157.8 | 0 | 0 | 111.9 | Q417 M418 A423 H424 L425 | Q417-E421 PolarHBondContact O-N 3.33Å; M418-E421 PolarHBondContact O-N 3.42Å; E421-A423 VanDerWaalsContact C-N 3.3Å; E421-A423 PolarHBondContact O-N 2.91Å; E421-H424 WeakPolarHBondContact O-CB 3.43Å; E421-H424 PolarHBondContact O-N 2.93Å; E421-L425 HydrophobicContact CG-CD1 4.35Å; E421-L425 WeakPolarHBondContact O-CB 3.29Å; E421-L425 WeakPolarHBondContact O-CG 3.46Å; E421-L425 PolarHBondContact O-N 3.38Å |
| 422 | I | 92.4 | Very high | 92.8 | Very high | 71 Ų | 71 | 95.9 Ų | 95.9 | 36% | 0.364 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.3 | -37.4 | 170.1 | -72.4 | 167.5 | 0 | 0 | 0 | 111.2 | M418 E419 K426 | M418-I422 HydrophobicContact CG-CD1 3.89Å; M418-I422 WeakPolarHBondContact O-CB 3.4Å; M418-I422 VanDerWaalsContact O-CG1 3.23Å; M418-I422 WeakPolarHBondContact O-CG1 3.45Å; M418-I422 PolarHBondContact O-N 3.09Å; E419-I422 PolarHBondContact O-N 2.82Å; I422-K426 HydrophobicContact CG2-CD 4.03Å; I422-K426 VanDerWaalsContact CG2-CE 3.48Å; I422-K426 WeakPolarHBondContact O-CB 3.49Å; I422-K426 WeakPolarHBondContact O-CD 3.36Å; I422-K426 WeakPolarHBondContact O-CG 3.38Å; I422-K426 PolarHBondContact O-N 3.39Å |
| 423 | A | 91.9 | Very high | 92.8 | Very high | 52 Ų | 52 | 99.3 Ų | 99.3 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E419 A420 E421 K426 Q427 | E419-A423 WeakPolarHBondContact O-CB 3.37Å; E419-A423 PolarHBondContact O-N 2.95Å; A420-A423 WeakPolarHBondContact O-CB 3.3Å; A420-A423 PolarHBondContact O-N 3.5Å; E421-A423 VanDerWaalsContact C-N 3.3Å; E421-A423 PolarHBondContact O-N 2.91Å; A423-K426 PolarHBondContact O-N 2.89Å; A423-Q427 PolarHBondContact O-N 2.77Å |
| 424 | H | 94.8 | Very high | 92.9 | Very high | 103 Ų | 103 | 97.8 Ų | 97.8 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.6 | -51.8 | 174.1 | -170.8 | -89.2 | 0 | 0 | 0 | 111.5 | A420 E421 K426 Q427 E428 | A420-H424 PolarHBondContact O-N 3.5Å; E421-H424 WeakPolarHBondContact O-CB 3.43Å; E421-H424 PolarHBondContact O-N 2.93Å; H424-K426 VanDerWaalsContact C-N 3.28Å; H424-K426 PolarHBondContact O-N 3.18Å; H424-Q427 CarbonylContact O-C 3.55Å; H424-Q427 WeakPolarHBondContact O-CA 3.32Å; H424-Q427 WeakPolarHBondContact O-CB 3.42Å; H424-Q427 PolarHBondContact O-N 2.91Å; H424-E428 IonicContact CE1-OE1 2.72Å; H424-E428 PolarHBondContact CE1-OE1 3.23Å; H424-E428 IonicContact CE1-OE2 2.7Å; H424-E428 PolarHBondContact CE1-OE2 2.84Å; H424-E428 VanDerWaalsContact ND1-CD 3.34Å; H424-E428 IonicContact ND1-OE1 3.37Å; H424-E428 IonicContact ND1-OE2 3.62Å; H424-E428 PolarHBondContact ND1-OE2 2.82Å; H424-E428 PolarHBondContact O-N 3.45Å |
| 425 | L | 93.4 | Very high | 93 | Very high | 85 Ų | 85 | 95.6 Ų | 95.6 | 45% | 0.445 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.3 | -35.4 | 177.7 | -70.5 | 168.3 | 0 | 0 | 0 | 112 | E421 N429 | E421-L425 HydrophobicContact CG-CD1 4.35Å; E421-L425 WeakPolarHBondContact O-CB 3.29Å; E421-L425 WeakPolarHBondContact O-CG 3.46Å; E421-L425 PolarHBondContact O-N 3.38Å; L425-N429 WeakPolarHBondContact O-CB 3.45Å; L425-N429 PolarHBondContact O-N 2.66Å; L425-N429 PolarHBondContact O-ND2 3.03Å |
| 426 | K | 91.6 | Very high | 93.1 | Very high | 144 Ų | 144 | 96.1 Ų | 96.1 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.7 | -38.5 | 171.8 | -78.1 | 166.7 | -177.7 | 169.6 | 0 | 112.2 | I422 A423 H424 G430 | I422-K426 HydrophobicContact CG2-CD 4.03Å; I422-K426 VanDerWaalsContact CG2-CE 3.48Å; I422-K426 WeakPolarHBondContact O-CB 3.49Å; I422-K426 WeakPolarHBondContact O-CD 3.36Å; I422-K426 WeakPolarHBondContact O-CG 3.38Å; I422-K426 PolarHBondContact O-N 3.39Å; A423-K426 PolarHBondContact O-N 2.89Å; H424-K426 VanDerWaalsContact C-N 3.28Å; H424-K426 PolarHBondContact O-N 3.18Å; K426-G430 PolarHBondContact O-N 2.96Å |
| 427 | Q | 95.6 | Very high | 93.1 | Very high | 131 Ų | 131 | 93.5 Ų | 93.5 | 61% | 0.612 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.6 | -45.5 | 176.1 | -178.5 | 177.1 | -13.1 | 0 | 0 | 111.8 | A423 H424 N429 G430 I431 | A423-Q427 PolarHBondContact O-N 2.77Å; H424-Q427 CarbonylContact O-C 3.55Å; H424-Q427 WeakPolarHBondContact O-CA 3.32Å; H424-Q427 WeakPolarHBondContact O-CB 3.42Å; H424-Q427 PolarHBondContact O-N 2.91Å; Q427-N429 PolarHBondContact O-N 2.97Å; Q427-G430 CarbonylContact O-C 3.54Å; Q427-G430 VanDerWaalsContact O-CA 3.3Å; Q427-G430 WeakPolarHBondContact O-CA 3.42Å; Q427-G430 PolarHBondContact O-N 2.9Å; Q427-I431 HydrophobicContact CG-CD1 4.21Å; Q427-I431 WeakPolarHBondContact O-CG1 3.46Å; Q427-I431 PolarHBondContact O-N 3.46Å |
| 428 | E | 92.1 | Very high | 93.2 | Very high | 81 Ų | 81 | 92.5 Ų | 92.5 | 38% | 0.379 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.2 | -44 | 174.9 | -70.7 | -178 | 122.6 | 0 | 0 | 111.7 | H424 G430 I431 L432 | H424-E428 IonicContact CE1-OE1 2.72Å; H424-E428 PolarHBondContact CE1-OE1 3.23Å; H424-E428 IonicContact CE1-OE2 2.7Å; H424-E428 PolarHBondContact CE1-OE2 2.84Å; H424-E428 VanDerWaalsContact ND1-CD 3.34Å; H424-E428 IonicContact ND1-OE1 3.37Å; H424-E428 IonicContact ND1-OE2 3.62Å; H424-E428 PolarHBondContact ND1-OE2 2.82Å; H424-E428 PolarHBondContact O-N 3.45Å; E428-G430 PolarHBondContact O-N 3.38Å; E428-I431 PolarHBondContact O-N 3.36Å; E428-L432 WeakPolarHBondContact O-CB 3.32Å; E428-L432 WeakPolarHBondContact O-CG 3.46Å; E428-L432 PolarHBondContact O-N 3.04Å |
| 429 | N | 91.5 | Very high | 93.1 | Very high | 86 Ų | 86 | 91.6 Ų | 91.6 | 46% | 0.46 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.4 | -21.4 | 172.2 | -80.8 | -81.3 | 0 | 0 | 0 | 112.9 | L425 Q427 R433 | L425-N429 WeakPolarHBondContact O-CB 3.45Å; L425-N429 PolarHBondContact O-N 2.66Å; L425-N429 PolarHBondContact O-ND2 3.03Å; Q427-N429 PolarHBondContact O-N 2.97Å; N429-R433 WeakPolarHBondContact O-CG 3.19Å; N429-R433 PolarHBondContact O-N 3.27Å; N429-R433 PolarHBondContact O-NE 3.5Å; N429-R433 PolarHBondContact O-NH2 2.68Å |
| 430 | G | 95.1 | Very high | 93.1 | Very high | 19 Ų | 19 | 89.4 Ų | 89.4 | 20% | 0.196 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -66.9 | -60 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K426 Q427 E428 L432 R433 D434 | K426-G430 PolarHBondContact O-N 2.96Å; Q427-G430 CarbonylContact O-C 3.54Å; Q427-G430 VanDerWaalsContact O-CA 3.3Å; Q427-G430 WeakPolarHBondContact O-CA 3.42Å; Q427-G430 PolarHBondContact O-N 2.9Å; E428-G430 PolarHBondContact O-N 3.38Å; G430-L432 VanDerWaalsContact C-N 3.27Å; G430-L432 PolarHBondContact O-N 3.19Å; G430-R433 WeakPolarHBondContact O-CA 3.31Å; G430-R433 PolarHBondContact O-N 2.86Å; G430-D434 PolarHBondContact O-N 3.15Å |
| 431 | I | 93.6 | Very high | 92.9 | Very high | 100 Ų | 100 | 90.5 Ų | 90.5 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -54.9 | -40.7 | -179.3 | -63.8 | 165.4 | 0 | 0 | 0 | 111.8 | Q427 E428 D434 A435 | Q427-I431 HydrophobicContact CG-CD1 4.21Å; Q427-I431 WeakPolarHBondContact O-CG1 3.46Å; Q427-I431 PolarHBondContact O-N 3.46Å; E428-I431 PolarHBondContact O-N 3.36Å; I431-D434 PolarHBondContact O-N 3.24Å; I431-A435 VanDerWaalsContact O-CB 3.29Å; I431-A435 WeakPolarHBondContact O-CB 3.47Å; I431-A435 PolarHBondContact O-N 3.11Å |
| 432 | L | 93.3 | Very high | 92.8 | Very high | 107 Ų | 107 | 90 Ų | 90 | 56% | 0.56 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -66.3 | -39.1 | 176.4 | -71.1 | 172.4 | 0 | 0 | 0 | 112.4 | E428 G430 A435 V436 | E428-L432 WeakPolarHBondContact O-CB 3.32Å; E428-L432 WeakPolarHBondContact O-CG 3.46Å; E428-L432 PolarHBondContact O-N 3.04Å; G430-L432 VanDerWaalsContact C-N 3.27Å; G430-L432 PolarHBondContact O-N 3.19Å; L432-A435 PolarHBondContact O-N 3.41Å; L432-V436 WeakPolarHBondContact O-CB 3.44Å; L432-V436 VanDerWaalsContact O-CG2 3.28Å; L432-V436 WeakPolarHBondContact O-CG2 3.4Å; L432-V436 PolarHBondContact O-N 3.32Å |
| 433 | R | 94.3 | Very high | 92.7 | Very high | 167 Ų | 167 | 91.1 Ų | 91.1 | 63% | 0.63 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68 | -38.7 | 173.7 | -80.3 | 176.4 | -69 | -169.2 | -0.8 | 111.8 | N429 G430 V436 S437 | N429-R433 WeakPolarHBondContact O-CG 3.19Å; N429-R433 PolarHBondContact O-N 3.27Å; N429-R433 PolarHBondContact O-NE 3.5Å; N429-R433 PolarHBondContact O-NH2 2.68Å; G430-R433 WeakPolarHBondContact O-CA 3.31Å; G430-R433 PolarHBondContact O-N 2.86Å; R433-V436 PolarHBondContact O-N 3.4Å; R433-S437 WeakPolarHBondContact O-CB 3.42Å; R433-S437 PolarHBondContact O-N 3.17Å |
| 434 | D | 94.3 | Very high | 92.6 | Very high | 101 Ų | 101 | 93.8 Ų | 93.8 | 54% | 0.54 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.2 | -35.9 | 175.9 | -66.1 | -22.7 | 0 | 0 | 0 | 111.6 | G430 I431 N438 | G430-D434 PolarHBondContact O-N 3.15Å; I431-D434 PolarHBondContact O-N 3.24Å; D434-N438 VanDerWaalsContact O-CB 3.3Å; D434-N438 WeakPolarHBondContact O-CB 3.45Å; D434-N438 PolarHBondContact O-N 3.15Å; D434-N438 PolarHBondContact O-ND2 2.8Å |
| 435 | A | 93.6 | Very high | 92.4 | Very high | 47 Ų | 47 | 92.5 Ų | 92.5 | 39% | 0.388 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.5 | -43.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I431 L432 N438 T439 | I431-A435 VanDerWaalsContact O-CB 3.29Å; I431-A435 WeakPolarHBondContact O-CB 3.47Å; I431-A435 PolarHBondContact O-N 3.11Å; L432-A435 PolarHBondContact O-N 3.41Å; A435-N438 PolarHBondContact O-N 3.06Å; A435-T439 WeakPolarHBondContact O-CB 3.32Å; A435-T439 WeakPolarHBondContact O-CG2 3.5Å; A435-T439 PolarHBondContact O-N 2.92Å; A435-T439 PolarHBondContact O-OG1 2.86Å |
| 436 | V | 91.9 | Very high | 92.3 | Very high | 90 Ų | 90 | 93.9 Ų | 93.9 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 173.2 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | L432 R433 N438 T439 T440 | L432-V436 WeakPolarHBondContact O-CB 3.44Å; L432-V436 VanDerWaalsContact O-CG2 3.28Å; L432-V436 WeakPolarHBondContact O-CG2 3.4Å; L432-V436 PolarHBondContact O-N 3.32Å; R433-V436 PolarHBondContact O-N 3.4Å; V436-N438 PolarHBondContact O-N 2.84Å; V436-T439 WeakPolarHBondContact CA-OG1 3.41Å; V436-T439 PolarHBondContact O-N 3.4Å; V436-T439 PolarHBondContact O-OG1 3.27Å; V436-T440 WeakPolarHBondContact O-CB 3.19Å; V436-T440 PolarHBondContact O-N 2.79Å; V436-T440 PolarHBondContact O-OG1 3.02Å |
| 437 | S | 93.4 | Very high | 92.3 | Very high | 57 Ų | 57 | 92.3 Ų | 92.3 | 40% | 0.399 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 175.4 | -174.2 | 0 | 0 | 0 | 0 | 112 | R433 T439 T440 N441 | R433-S437 WeakPolarHBondContact O-CB 3.42Å; R433-S437 PolarHBondContact O-N 3.17Å; S437-T439 PolarHBondContact O-N 3.28Å; S437-T440 PolarHBondContact O-N 3.11Å; S437-N441 WeakPolarHBondContact O-CB 3.49Å; S437-N441 PolarHBondContact O-N 3.16Å; S437-N441 PolarHBondContact O-ND2 2.84Å; S437-N441 VanDerWaalsContact O-ND2 3.12Å; S437-N441 PolarHBondContact OG-ND2 3.48Å |
| 438 | N | 92.4 | Very high | 92 | Very high | 107 Ų | 107 | 89.2 Ų | 89.2 | 57% | 0.572 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.4 | -37.9 | 177.8 | -83.5 | -61.1 | 0 | 0 | 0 | 113.1 | D434 A435 V436 Q442 | D434-N438 VanDerWaalsContact O-CB 3.3Å; D434-N438 WeakPolarHBondContact O-CB 3.45Å; D434-N438 PolarHBondContact O-N 3.15Å; D434-N438 PolarHBondContact O-ND2 2.8Å; A435-N438 PolarHBondContact O-N 3.06Å; V436-N438 PolarHBondContact O-N 2.84Å; N438-Q442 VanDerWaalsContact O-CB 3.24Å; N438-Q442 WeakPolarHBondContact O-CB 3.39Å; N438-Q442 PolarHBondContact O-N 3.4Å |
| 439 | T | 91 | Very high | 92 | Very high | 86 Ų | 86 | 88.2 Ų | 88.2 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.7 | -38.1 | 175.8 | 47.6 | 0 | 0 | 0 | 0 | 112.2 | A435 V436 S437 Q442 L443 | A435-T439 WeakPolarHBondContact O-CB 3.32Å; A435-T439 WeakPolarHBondContact O-CG2 3.5Å; A435-T439 PolarHBondContact O-N 2.92Å; A435-T439 PolarHBondContact O-OG1 2.86Å; V436-T439 WeakPolarHBondContact CA-OG1 3.41Å; V436-T439 PolarHBondContact O-N 3.4Å; V436-T439 PolarHBondContact O-OG1 3.27Å; S437-T439 PolarHBondContact O-N 3.28Å; T439-Q442 PolarHBondContact O-N 2.83Å; T439-L443 WeakPolarHBondContact O-CB 3.45Å; T439-L443 PolarHBondContact O-N 3.31Å |
| 440 | T | 91.6 | Very high | 92 | Very high | 62 Ų | 62 | 90.6 Ų | 90.6 | 38% | 0.38 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -52.6 | 170.6 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | V436 S437 Q442 L443 E444 | V436-T440 WeakPolarHBondContact O-CB 3.19Å; V436-T440 PolarHBondContact O-N 2.79Å; V436-T440 PolarHBondContact O-OG1 3.02Å; S437-T440 PolarHBondContact O-N 3.11Å; T440-Q442 VanDerWaalsContact C-N 3.26Å; T440-Q442 PolarHBondContact O-N 3.27Å; T440-L443 WeakPolarHBondContact O-CA 3.25Å; T440-L443 WeakPolarHBondContact O-CB 3.4Å; T440-L443 PolarHBondContact O-N 2.86Å; T440-E444 HydrophobicContact CG2-CG 4.49Å; T440-E444 PolarHBondContact O-N 2.84Å |
| 441 | N | 90.6 | Very high | 91.9 | Very high | 84 Ų | 84 | 93.9 Ų | 93.9 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.4 | -38.2 | 177.7 | -66.5 | -25.4 | 0 | 0 | 0 | 111.8 | S437 S445 | S437-N441 WeakPolarHBondContact O-CB 3.49Å; S437-N441 PolarHBondContact O-N 3.16Å; S437-N441 PolarHBondContact O-ND2 2.84Å; S437-N441 VanDerWaalsContact O-ND2 3.12Å; S437-N441 PolarHBondContact OG-ND2 3.48Å; N441-S445 WeakPolarHBondContact O-CB 3.43Å; N441-S445 PolarHBondContact O-N 3.44Å |
| 442 | Q | 91 | Very high | 91.8 | Very high | 109 Ų | 109 | 93.5 Ų | 93.5 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.1 | -36.4 | 175.4 | -165.8 | -169.5 | 103.7 | 0 | 0 | 112.1 | N438 T439 T440 K446 | N438-Q442 VanDerWaalsContact O-CB 3.24Å; N438-Q442 WeakPolarHBondContact O-CB 3.39Å; N438-Q442 PolarHBondContact O-N 3.4Å; T439-Q442 PolarHBondContact O-N 2.83Å; T440-Q442 VanDerWaalsContact C-N 3.26Å; T440-Q442 PolarHBondContact O-N 3.27Å; Q442-K446 HydrophobicContact CG-CD 4.38Å; Q442-K446 WeakPolarHBondContact O-CB 3.38Å; Q442-K446 VanDerWaalsContact O-CG 3.26Å; Q442-K446 WeakPolarHBondContact O-CG 2.77Å; Q442-K446 PolarHBondContact O-N 2.98Å |
| 443 | L | 90.6 | Very high | 91.8 | Very high | 95 Ų | 95 | 94.6 Ų | 94.6 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.9 | -46.8 | 175.8 | -179.1 | 61.9 | 0 | 0 | 0 | 111.4 | T439 T440 S445 K446 Q447 | T439-L443 WeakPolarHBondContact O-CB 3.45Å; T439-L443 PolarHBondContact O-N 3.31Å; T440-L443 WeakPolarHBondContact O-CA 3.25Å; T440-L443 WeakPolarHBondContact O-CB 3.4Å; T440-L443 PolarHBondContact O-N 2.86Å; L443-S445 VanDerWaalsContact C-N 3.31Å; L443-S445 PolarHBondContact O-N 2.89Å; L443-K446 PolarHBondContact O-N 2.85Å; L443-Q447 HydrophobicContact CD1-CG 4.43Å; L443-Q447 WeakPolarHBondContact O-CB 3.38Å; L443-Q447 WeakPolarHBondContact O-CG 3.25Å; L443-Q447 PolarHBondContact O-N 2.97Å |
| 444 | E | 88.3 | Confident | 91.7 | Very high | 109 Ų | 109 | 92.1 Ų | 92.1 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 175.4 | -70.5 | -177.1 | -176.7 | 0 | 0 | 111.9 | T440 S448 | T440-E444 HydrophobicContact CG2-CG 4.49Å; T440-E444 PolarHBondContact O-N 2.84Å; E444-S448 VanDerWaalsContact O-CB 3.23Å; E444-S448 WeakPolarHBondContact O-CB 3.33Å; E444-S448 PolarHBondContact O-N 3.35Å; E444-S448 PolarHBondContact O-OG 3.42Å |
| 445 | S | 91.6 | Very high | 91.7 | Very high | 76 Ų | 76 | 95.4 Ų | 95.4 | 53% | 0.531 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | 173.3 | -178.1 | 0 | 0 | 0 | 0 | 112.1 | N441 L443 S448 A449 | N441-S445 WeakPolarHBondContact O-CB 3.43Å; N441-S445 PolarHBondContact O-N 3.44Å; L443-S445 VanDerWaalsContact C-N 3.31Å; L443-S445 PolarHBondContact O-N 2.89Å; S445-S448 PolarHBondContact O-N 2.88Å; S445-A449 WeakPolarHBondContact O-CB 3.19Å; S445-A449 PolarHBondContact O-N 2.96Å |
| 446 | K | 91.9 | Very high | 91.6 | Very high | 114 Ų | 114 | 98.6 Ų | 98.6 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62 | -48.7 | 174.2 | -78.5 | 167.4 | 172.1 | 171.8 | 0 | 111.9 | Q442 L443 S448 A449 E450 | Q442-K446 HydrophobicContact CG-CD 4.38Å; Q442-K446 WeakPolarHBondContact O-CB 3.38Å; Q442-K446 VanDerWaalsContact O-CG 3.26Å; Q442-K446 WeakPolarHBondContact O-CG 2.77Å; Q442-K446 PolarHBondContact O-N 2.98Å; L443-K446 PolarHBondContact O-N 2.85Å; K446-S448 VanDerWaalsContact C-N 3.31Å; K446-S448 PolarHBondContact O-N 3.01Å; K446-A449 WeakPolarHBondContact O-CB 3.33Å; K446-A449 PolarHBondContact O-N 3.35Å; K446-A449 VanDerWaalsContact O-N 3.15Å; K446-E450 PolarHBondContact O-N 3.25Å |
| 447 | Q | 90.5 | Very high | 91.5 | Very high | 111 Ų | 111 | 96.8 Ų | 96.8 | 52% | 0.519 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 175.9 | -73.1 | 178.5 | -3.6 | 0 | 0 | 111.5 | L443 A449 E450 L451 | L443-Q447 HydrophobicContact CD1-CG 4.43Å; L443-Q447 WeakPolarHBondContact O-CB 3.38Å; L443-Q447 WeakPolarHBondContact O-CG 3.25Å; L443-Q447 PolarHBondContact O-N 2.97Å; Q447-A449 PolarHBondContact O-N 3.01Å; Q447-E450 PolarHBondContact O-N 3.5Å; Q447-L451 VanDerWaalsContact O-CB 3.23Å; Q447-L451 WeakPolarHBondContact O-CB 3.38Å; Q447-L451 PolarHBondContact O-N 3.27Å |
| 448 | S | 90 | Very high | 91.4 | Very high | 65 Ų | 65 | 97.5 Ų | 97.5 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -38.8 | 175.2 | -63 | 0 | 0 | 0 | 0 | 112.4 | E444 S445 K446 N452 | E444-S448 VanDerWaalsContact O-CB 3.23Å; E444-S448 WeakPolarHBondContact O-CB 3.33Å; E444-S448 PolarHBondContact O-N 3.35Å; E444-S448 PolarHBondContact O-OG 3.42Å; S445-S448 PolarHBondContact O-N 2.88Å; K446-S448 VanDerWaalsContact C-N 3.31Å; K446-S448 PolarHBondContact O-N 3.01Å; S448-N452 WeakPolarHBondContact O-CB 3.38Å; S448-N452 VanDerWaalsContact O-CG 3.29Å; S448-N452 PolarHBondContact O-N 2.95Å; S448-N452 PolarHBondContact O-ND2 2.99Å |
| 449 | A | 91.8 | Very high | 91.4 | Very high | 61 Ų | 61 | 94.2 Ų | 94.2 | 50% | 0.504 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.7 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S445 K446 Q447 N452 K453 | S445-A449 WeakPolarHBondContact O-CB 3.19Å; S445-A449 PolarHBondContact O-N 2.96Å; K446-A449 WeakPolarHBondContact O-CB 3.33Å; K446-A449 PolarHBondContact O-N 3.35Å; K446-A449 VanDerWaalsContact O-N 3.15Å; Q447-A449 PolarHBondContact O-N 3.01Å; A449-N452 PolarHBondContact O-N 3.48Å; A449-K453 WeakPolarHBondContact O-CB 3.45Å; A449-K453 PolarHBondContact O-N 3.37Å |
| 450 | E | 92.1 | Very high | 91.4 | Very high | 136 Ų | 136 | 95.1 Ų | 95.1 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.4 | -41 | 175.1 | -73 | -173.8 | 168.5 | 0 | 0 | 112.3 | K446 Q447 N452 K453 L454 | K446-E450 PolarHBondContact O-N 3.25Å; Q447-E450 PolarHBondContact O-N 3.5Å; E450-N452 VanDerWaalsContact C-N 3.35Å; E450-N452 PolarHBondContact O-N 3.24Å; E450-K453 WeakPolarHBondContact O-CB 3.46Å; E450-K453 PolarHBondContact O-N 2.63Å; E450-L454 WeakPolarHBondContact O-CB 3.28Å; E450-L454 PolarHBondContact O-N 3.01Å |
| 451 | L | 92.7 | Very high | 91.4 | Very high | 87 Ų | 87 | 97 Ų | 97 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 175.9 | -160.7 | 166.1 | 0 | 0 | 0 | 110.7 | Q447 L454 R455 | Q447-L451 VanDerWaalsContact O-CB 3.23Å; Q447-L451 WeakPolarHBondContact O-CB 3.38Å; Q447-L451 PolarHBondContact O-N 3.27Å; L451-L454 PolarHBondContact O-N 2.9Å; L451-R455 HydrophobicContact CD2-CG 4.21Å; L451-R455 WeakPolarHBondContact O-CG 3.46Å; L451-R455 PolarHBondContact O-N 3.27Å |
| 452 | N | 90.8 | Very high | 91.5 | Very high | 93 Ų | 93 | 97 Ų | 97 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -37.8 | 172.9 | -76.3 | -36.8 | 0 | 0 | 0 | 112.8 | S448 A449 E450 R455 Q456 | S448-N452 WeakPolarHBondContact O-CB 3.38Å; S448-N452 VanDerWaalsContact O-CG 3.29Å; S448-N452 PolarHBondContact O-N 2.95Å; S448-N452 PolarHBondContact O-ND2 2.99Å; A449-N452 PolarHBondContact O-N 3.48Å; E450-N452 VanDerWaalsContact C-N 3.35Å; E450-N452 PolarHBondContact O-N 3.24Å; N452-R455 PolarHBondContact O-N 3.41Å; N452-Q456 PolarHBondContact O-N 2.88Å |
| 453 | K | 93.8 | Very high | 91.5 | Very high | 129 Ų | 129 | 95.1 Ų | 95.1 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.7 | -45.7 | 172.5 | -177.3 | -174.2 | 173.3 | -170.7 | 0 | 111.1 | A449 E450 R455 Q456 D457 | A449-K453 WeakPolarHBondContact O-CB 3.45Å; A449-K453 PolarHBondContact O-N 3.37Å; E450-K453 WeakPolarHBondContact O-CB 3.46Å; E450-K453 PolarHBondContact O-N 2.63Å; K453-R455 VanDerWaalsContact C-N 3.35Å; K453-R455 PolarHBondContact O-N 3.45Å; K453-Q456 CarbonylContact O-C 3.6Å; K453-Q456 WeakPolarHBondContact O-CA 3.22Å; K453-Q456 VanDerWaalsContact O-CB 3.3Å; K453-Q456 WeakPolarHBondContact O-CB 3.35Å; K453-Q456 PolarHBondContact O-N 2.79Å; K453-D457 PolarHBondContact O-N 2.86Å |
| 454 | L | 92.6 | Very high | 91.5 | Very high | 115 Ų | 115 | 94.9 Ų | 94.9 | 60% | 0.602 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.5 | -41 | 177.7 | -167.7 | 70.7 | 0 | 0 | 0 | 111.4 | E450 L451 Q456 D457 C458 | E450-L454 WeakPolarHBondContact O-CB 3.28Å; E450-L454 PolarHBondContact O-N 3.01Å; L451-L454 PolarHBondContact O-N 2.9Å; L454-Q456 VanDerWaalsContact C-N 3.31Å; L454-Q456 PolarHBondContact O-N 3.37Å; L454-D457 PolarHBondContact O-N 3.34Å; L454-C458 PolarHBondContact O-N 3.37Å; L454-C458 PolarHBondContact O-SG 2.79Å |
| 455 | R | 92.7 | Very high | 91.6 | Very high | 171 Ų | 171 | 94.7 Ų | 94.7 | 65% | 0.645 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.3 | -40.2 | 170.1 | -74.7 | 173.4 | 176.2 | -176.5 | 1.8 | 112.2 | L451 N452 K453 G459 | L451-R455 HydrophobicContact CD2-CG 4.21Å; L451-R455 WeakPolarHBondContact O-CG 3.46Å; L451-R455 PolarHBondContact O-N 3.27Å; N452-R455 PolarHBondContact O-N 3.41Å; K453-R455 VanDerWaalsContact C-N 3.35Å; K453-R455 PolarHBondContact O-N 3.45Å; R455-G459 PolarHBondContact O-N 2.87Å |
| 456 | Q | 92.1 | Very high | 91.4 | Very high | 114 Ų | 114 | 96.1 Ų | 96.1 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.7 | -38 | 175.9 | -161.3 | -169.3 | 49.9 | 0 | 0 | 112.2 | N452 K453 L454 G459 R460 | N452-Q456 PolarHBondContact O-N 2.88Å; K453-Q456 CarbonylContact O-C 3.6Å; K453-Q456 WeakPolarHBondContact O-CA 3.22Å; K453-Q456 VanDerWaalsContact O-CB 3.3Å; K453-Q456 WeakPolarHBondContact O-CB 3.35Å; K453-Q456 PolarHBondContact O-N 2.79Å; L454-Q456 VanDerWaalsContact C-N 3.31Å; L454-Q456 PolarHBondContact O-N 3.37Å; Q456-G459 PolarHBondContact O-N 3.08Å; Q456-R460 PolarHBondContact O-N 3.1Å; Q456-R460 VanDerWaalsContact OE1-CZ 3.28Å |
| 457 | D | 90.9 | Very high | 91.4 | Very high | 52 Ų | 52 | 96.1 Ų | 96.1 | 28% | 0.278 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.2 | -39.6 | 175 | -76.2 | -44.1 | 0 | 0 | 0 | 112.2 | K453 L454 G459 R460 L461 | K453-D457 PolarHBondContact O-N 2.86Å; L454-D457 PolarHBondContact O-N 3.34Å; D457-G459 VanDerWaalsContact C-N 3.3Å; D457-G459 PolarHBondContact O-N 2.9Å; D457-R460 VanDerWaalsContact CG-NH2 3.32Å; D457-R460 PolarHBondContact O-N 3.05Å; D457-R460 IonicContact OD1-CZ 2.78Å; D457-R460 IonicContact OD1-NE 3.73Å; D457-R460 PolarHBondContact OD1-NE 3.31Å; D457-R460 IonicContact OD1-NH2 2.76Å; D457-R460 PolarHBondContact OD1-NH2 3.02Å; D457-R460 IonicContact OD2-NH2 3.15Å; D457-L461 WeakPolarHBondContact O-CB 3.45Å; D457-L461 VanDerWaalsContact O-CG 3.32Å; D457-L461 WeakPolarHBondContact O-CG 3.12Å; D457-L461 PolarHBondContact O-N 2.96Å |
| 458 | C | 89.8 | Confident | 91.4 | Very high | 72 Ų | 72 | 96.4 Ų | 96.4 | 49% | 0.486 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 167.7 | -67.6 | 0 | 0 | 0 | 0 | 111.4 | L454 L461 V462 | L454-C458 PolarHBondContact O-N 3.37Å; L454-C458 PolarHBondContact O-SG 2.79Å; C458-L461 PolarHBondContact O-N 2.82Å; C458-V462 WeakPolarHBondContact O-CB 3.34Å; C458-V462 VanDerWaalsContact O-CG2 3.3Å; C458-V462 WeakPolarHBondContact O-CG2 3.27Å; C458-V462 PolarHBondContact O-N 2.69Å |
| 459 | G | 92.9 | Very high | 91.3 | Very high | 37 Ų | 37 | 97.2 Ų | 97.2 | 38% | 0.381 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | R455 Q456 D457 V462 S463 | R455-G459 PolarHBondContact O-N 2.87Å; Q456-G459 PolarHBondContact O-N 3.08Å; D457-G459 VanDerWaalsContact C-N 3.3Å; D457-G459 PolarHBondContact O-N 2.9Å; G459-V462 PolarHBondContact O-N 2.81Å; G459-S463 PolarHBondContact O-N 3.41Å; G459-S463 PolarHBondContact O-OG 3.49Å; G459-S463 VanDerWaalsContact O-OG 3.11Å |
| 460 | R | 91.9 | Very high | 91.2 | Very high | 106 Ų | 106 | 96 Ų | 96 | 40% | 0.4 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.3 | -50.4 | 174 | -80.3 | -173.8 | -87.4 | -89.7 | -1.8 | 111.8 | Q456 D457 V462 S463 E464 | Q456-R460 PolarHBondContact O-N 3.1Å; Q456-R460 VanDerWaalsContact OE1-CZ 3.28Å; D457-R460 VanDerWaalsContact CG-NH2 3.32Å; D457-R460 PolarHBondContact O-N 3.05Å; D457-R460 IonicContact OD1-CZ 2.78Å; D457-R460 IonicContact OD1-NE 3.73Å; D457-R460 PolarHBondContact OD1-NE 3.31Å; D457-R460 IonicContact OD1-NH2 2.76Å; D457-R460 PolarHBondContact OD1-NH2 3.02Å; D457-R460 IonicContact OD2-NH2 3.15Å; R460-V462 PolarHBondContact O-N 3.21Å; R460-S463 WeakPolarHBondContact O-CB 3.27Å; R460-S463 PolarHBondContact O-N 3.49Å; R460-S463 VanDerWaalsContact O-N 3.15Å; R460-E464 PolarHBondContact O-N 3.34Å |
| 461 | L | 91.6 | Very high | 91.1 | Very high | 100 Ų | 100 | 94.5 Ų | 94.5 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | -178.3 | -71.2 | 169.9 | 0 | 0 | 0 | 112.3 | D457 C458 E464 L465 | D457-L461 WeakPolarHBondContact O-CB 3.45Å; D457-L461 VanDerWaalsContact O-CG 3.32Å; D457-L461 WeakPolarHBondContact O-CG 3.12Å; D457-L461 PolarHBondContact O-N 2.96Å; C458-L461 PolarHBondContact O-N 2.82Å; L461-E464 PolarHBondContact O-N 3.02Å; L461-L465 WeakPolarHBondContact O-CB 3.06Å; L461-L465 VanDerWaalsContact O-CG 3.25Å; L461-L465 WeakPolarHBondContact O-CG 3.32Å; L461-L465 PolarHBondContact O-N 3.3Å |
| 462 | V | 92.1 | Very high | 90.7 | Very high | 84 Ų | 84 | 96.1 Ų | 96.1 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -42 | 172.3 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | C458 G459 R460 L465 N466 | C458-V462 WeakPolarHBondContact O-CB 3.34Å; C458-V462 VanDerWaalsContact O-CG2 3.3Å; C458-V462 WeakPolarHBondContact O-CG2 3.27Å; C458-V462 PolarHBondContact O-N 2.69Å; G459-V462 PolarHBondContact O-N 2.81Å; R460-V462 PolarHBondContact O-N 3.21Å; V462-L465 PolarHBondContact O-N 3.32Å; V462-N466 WeakPolarHBondContact O-CB 3.46Å; V462-N466 VanDerWaalsContact O-CG 3.27Å; V462-N466 PolarHBondContact O-N 3.43Å; V462-N466 PolarHBondContact O-ND2 3.35Å |
| 463 | S | 90.3 | Very high | 90.3 | Very high | 71 Ų | 71 | 98.6 Ų | 98.6 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 174.1 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | G459 R460 L465 N466 E467 | G459-S463 PolarHBondContact O-N 3.41Å; G459-S463 PolarHBondContact O-OG 3.49Å; G459-S463 VanDerWaalsContact O-OG 3.11Å; R460-S463 WeakPolarHBondContact O-CB 3.27Å; R460-S463 PolarHBondContact O-N 3.49Å; R460-S463 VanDerWaalsContact O-N 3.15Å; S463-L465 PolarHBondContact O-N 2.86Å; S463-N466 PolarHBondContact O-N 3.33Å; S463-E467 PolarHBondContact O-N 3.32Å |
| 464 | E | 92 | Very high | 89.9 | Confident | 89 Ų | 89 | 98.2 Ų | 98.2 | 42% | 0.416 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 174.9 | -81.8 | -167.1 | -136.1 | 0 | 0 | 113 | R460 L461 E467 K468 | R460-E464 PolarHBondContact O-N 3.34Å; L461-E464 PolarHBondContact O-N 3.02Å; E464-E467 PolarHBondContact O-N 2.97Å; E464-K468 VanDerWaalsContact O-CB 3.31Å; E464-K468 WeakPolarHBondContact O-CB 3.46Å; E464-K468 WeakPolarHBondContact O-CD 3.19Å; E464-K468 VanDerWaalsContact O-CG 3.29Å; E464-K468 WeakPolarHBondContact O-CG 3.43Å; E464-K468 PolarHBondContact O-N 3.45Å; E464-K468 IonicContact OE2-NZ 2.65Å; E464-K468 PolarHBondContact OE2-NZ 2.87Å |
| 465 | L | 89.4 | Confident | 89.4 | Confident | 106 Ų | 106 | 98.6 Ų | 98.6 | 56% | 0.555 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.6 | -39.8 | 176.1 | -76.7 | 169.1 | 0 | 0 | 0 | 111.3 | L461 V462 S463 K468 T469 | L461-L465 WeakPolarHBondContact O-CB 3.06Å; L461-L465 VanDerWaalsContact O-CG 3.25Å; L461-L465 WeakPolarHBondContact O-CG 3.32Å; L461-L465 PolarHBondContact O-N 3.3Å; V462-L465 PolarHBondContact O-N 3.32Å; S463-L465 PolarHBondContact O-N 2.86Å; L465-K468 PolarHBondContact O-N 3.36Å; L465-T469 VanDerWaalsContact O-CB 3.29Å; L465-T469 WeakPolarHBondContact O-CB 3.35Å; L465-T469 PolarHBondContact O-N 2.83Å; L465-T469 PolarHBondContact O-OG1 3.19Å |
| 466 | N | 88.1 | Confident | 88.9 | Confident | 106 Ų | 106 | 92 Ų | 92 | 57% | 0.567 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65 | -43.2 | 173.6 | -72.5 | -25.9 | 0 | 0 | 0 | 111.5 | V462 S463 T469 G470 | V462-N466 WeakPolarHBondContact O-CB 3.46Å; V462-N466 VanDerWaalsContact O-CG 3.27Å; V462-N466 PolarHBondContact O-N 3.43Å; V462-N466 PolarHBondContact O-ND2 3.35Å; S463-N466 PolarHBondContact O-N 3.33Å; N466-T469 PolarHBondContact O-N 3.12Å; N466-G470 PolarHBondContact O-N 2.98Å |
| 467 | E | 91.4 | Very high | 88.6 | Confident | 114 Ų | 114 | 90.5 Ų | 90.5 | 53% | 0.533 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -47 | 173.1 | -87.7 | -161.8 | -148.6 | 0 | 0 | 112.6 | S463 E464 T469 G470 K471 | S463-E467 PolarHBondContact O-N 3.32Å; E464-E467 PolarHBondContact O-N 2.97Å; E467-T469 VanDerWaalsContact C-N 3.3Å; E467-T469 PolarHBondContact O-N 2.9Å; E467-G470 PolarHBondContact O-N 2.82Å; E467-K471 WeakPolarHBondContact O-CB 3.34Å; E467-K471 WeakPolarHBondContact O-CD 3.46Å; E467-K471 VanDerWaalsContact O-CG 3.3Å; E467-K471 WeakPolarHBondContact O-CG 3.45Å; E467-K471 PolarHBondContact O-N 3.23Å; E467-K471 IonicContact OE2-NZ 2.7Å; E467-K471 PolarHBondContact OE2-NZ 3.31Å |
| 468 | K | 89.8 | Confident | 88.2 | Confident | 117 Ų | 117 | 93.9 Ų | 93.9 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 177.8 | -76.6 | 162.9 | 178.7 | 154.4 | 0 | 111.1 | E464 L465 K471 L472 | E464-K468 VanDerWaalsContact O-CB 3.31Å; E464-K468 WeakPolarHBondContact O-CB 3.46Å; E464-K468 WeakPolarHBondContact O-CD 3.19Å; E464-K468 VanDerWaalsContact O-CG 3.29Å; E464-K468 WeakPolarHBondContact O-CG 3.43Å; E464-K468 PolarHBondContact O-N 3.45Å; E464-K468 IonicContact OE2-NZ 2.65Å; E464-K468 PolarHBondContact OE2-NZ 2.87Å; L465-K468 PolarHBondContact O-N 3.36Å; K468-K471 PolarHBondContact O-N 2.87Å; K468-L472 VanDerWaalsContact O-CB 3.28Å; K468-L472 WeakPolarHBondContact O-CB 3.38Å; K468-L472 PolarHBondContact O-N 3.48Å |
| 469 | T | 89.4 | Confident | 88.1 | Confident | 82 Ų | 82 | 96.7 Ų | 96.7 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 173.7 | -58 | 0 | 0 | 0 | 0 | 111.2 | L465 N466 E467 L472 Q473 | L465-T469 VanDerWaalsContact O-CB 3.29Å; L465-T469 WeakPolarHBondContact O-CB 3.35Å; L465-T469 PolarHBondContact O-N 2.83Å; L465-T469 PolarHBondContact O-OG1 3.19Å; N466-T469 PolarHBondContact O-N 3.12Å; E467-T469 VanDerWaalsContact C-N 3.3Å; E467-T469 PolarHBondContact O-N 2.9Å; T469-L472 PolarHBondContact O-N 3.28Å; T469-Q473 WeakPolarHBondContact O-CB 3.28Å; T469-Q473 PolarHBondContact O-N 3.43Å |
| 470 | G | 89.4 | Confident | 87.7 | Confident | 35 Ų | 35 | 101.5 Ų | 101.5 | 36% | 0.361 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | N466 E467 Q473 Q474 | N466-G470 PolarHBondContact O-N 2.98Å; E467-G470 PolarHBondContact O-N 2.82Å; G470-Q473 PolarHBondContact O-N 3.24Å; G470-Q474 WeakPolarHBondContact O-CB 3.37Å; G470-Q474 PolarHBondContact O-N 3.06Å |
| 471 | K | 89.1 | Confident | 87.4 | Confident | 105 Ų | 105 | 100.9 Ų | 100.9 | 46% | 0.457 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 175.5 | -73.8 | 161.4 | 178.4 | 165.5 | 0 | 111.6 | E467 K468 Q473 Q474 E475 | E467-K471 WeakPolarHBondContact O-CB 3.34Å; E467-K471 WeakPolarHBondContact O-CD 3.46Å; E467-K471 VanDerWaalsContact O-CG 3.3Å; E467-K471 WeakPolarHBondContact O-CG 3.45Å; E467-K471 PolarHBondContact O-N 3.23Å; E467-K471 IonicContact OE2-NZ 2.7Å; E467-K471 PolarHBondContact OE2-NZ 3.31Å; K468-K471 PolarHBondContact O-N 2.87Å; K471-Q473 VanDerWaalsContact C-N 3.31Å; K471-Q473 PolarHBondContact O-N 3.16Å; K471-Q474 WeakPolarHBondContact O-CB 3.38Å; K471-Q474 PolarHBondContact O-N 3.07Å; K471-Q474 VanDerWaalsContact O-N 3.17Å; K471-E475 WeakPolarHBondContact O-CG 3.5Å; K471-E475 PolarHBondContact O-N 2.88Å |
| 472 | L | 84.1 | Confident | 87 | Confident | 121 Ų | 121 | 99 Ų | 99 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61 | -39.2 | 173.9 | -169.5 | 80.4 | 0 | 0 | 0 | 111.9 | K468 T469 E475 G476 | K468-L472 VanDerWaalsContact O-CB 3.28Å; K468-L472 WeakPolarHBondContact O-CB 3.38Å; K468-L472 PolarHBondContact O-N 3.48Å; T469-L472 PolarHBondContact O-N 3.28Å; L472-E475 PolarHBondContact O-N 3.44Å; L472-G476 PolarHBondContact O-N 3.07Å |
| 473 | Q | 82.1 | Confident | 86.7 | Confident | 144 Ų | 144 | 99.6 Ų | 99.6 | 67% | 0.673 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.6 | -37.4 | 175.8 | -168.3 | 172.7 | 5.3 | 0 | 0 | 111.7 | T469 G470 K471 G476 V477 | T469-Q473 WeakPolarHBondContact O-CB 3.28Å; T469-Q473 PolarHBondContact O-N 3.43Å; G470-Q473 PolarHBondContact O-N 3.24Å; K471-Q473 VanDerWaalsContact C-N 3.31Å; K471-Q473 PolarHBondContact O-N 3.16Å; Q473-G476 PolarHBondContact O-N 3.09Å; Q473-V477 PolarHBondContact O-N 2.79Å; Q473-V477 VanDerWaalsContact O-N 3.09Å |
| 474 | Q | 85.3 | Confident | 86.4 | Confident | 121 Ų | 121 | 102.3 Ų | 102.3 | 57% | 0.565 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.5 | -43.8 | 173.4 | -171.5 | 178.6 | 14.2 | 0 | 0 | 112.1 | G470 K471 G476 V477 Q478 | G470-Q474 WeakPolarHBondContact O-CB 3.37Å; G470-Q474 PolarHBondContact O-N 3.06Å; K471-Q474 WeakPolarHBondContact O-CB 3.38Å; K471-Q474 PolarHBondContact O-N 3.07Å; K471-Q474 VanDerWaalsContact O-N 3.17Å; Q474-G476 VanDerWaalsContact C-N 3.3Å; Q474-G476 PolarHBondContact O-N 2.98Å; Q474-V477 PolarHBondContact O-N 3.23Å; Q474-V477 VanDerWaalsContact O-N 3.17Å; Q474-Q478 PolarHBondContact O-N 2.88Å |
| 475 | E | 82.4 | Confident | 86.2 | Confident | 123 Ų | 123 | 100.4 Ų | 100.4 | 58% | 0.575 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.8 | -39.2 | 171.6 | -74 | 178.6 | 179.4 | 0 | 0 | 111.5 | K471 L472 V477 Q478 K479 | K471-E475 WeakPolarHBondContact O-CG 3.5Å; K471-E475 PolarHBondContact O-N 2.88Å; L472-E475 PolarHBondContact O-N 3.44Å; E475-V477 VanDerWaalsContact C-N 3.3Å; E475-V477 PolarHBondContact O-N 2.98Å; E475-Q478 PolarHBondContact O-N 3.29Å; E475-K479 WeakPolarHBondContact O-CB 3.44Å; E475-K479 PolarHBondContact O-N 2.93Å |
| 476 | G | 82.4 | Confident | 85.9 | Confident | 34 Ų | 34 | 98 Ų | 98 | 35% | 0.351 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -33.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L472 Q473 Q474 K480 | L472-G476 PolarHBondContact O-N 3.07Å; Q473-G476 PolarHBondContact O-N 3.09Å; Q474-G476 VanDerWaalsContact C-N 3.3Å; Q474-G476 PolarHBondContact O-N 2.98Å; G476-K480 WeakPolarHBondContact O-CG 3.45Å; G476-K480 PolarHBondContact O-N 2.97Å |
| 477 | V | 86.8 | Confident | 85.8 | Confident | 82 Ų | 82 | 97.3 Ų | 97.3 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.8 | -45.6 | 171.8 | 172.9 | 0 | 0 | 0 | 0 | 111 | Q473 Q474 E475 K479 K480 N481 | Q473-V477 PolarHBondContact O-N 2.79Å; Q473-V477 VanDerWaalsContact O-N 3.09Å; Q474-V477 PolarHBondContact O-N 3.23Å; Q474-V477 VanDerWaalsContact O-N 3.17Å; E475-V477 VanDerWaalsContact C-N 3.3Å; E475-V477 PolarHBondContact O-N 2.98Å; V477-K479 VanDerWaalsContact C-N 3.3Å; V477-K479 PolarHBondContact O-N 3.33Å; V477-K480 PolarHBondContact O-N 3.24Å; V477-N481 VanDerWaalsContact O-CG 3.32Å; V477-N481 PolarHBondContact O-N 2.95Å; V477-N481 PolarHBondContact O-OD1 2.95Å |
| 478 | Q | 82.3 | Confident | 85.5 | Confident | 123 Ų | 123 | 98.3 Ų | 98.3 | 58% | 0.575 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.8 | -39.5 | 176.8 | -71.7 | -170.4 | 3.2 | 0 | 0 | 112.2 | Q474 E475 N481 A482 | Q474-Q478 PolarHBondContact O-N 2.88Å; E475-Q478 PolarHBondContact O-N 3.29Å; Q478-N481 PolarHBondContact O-N 3.18Å; Q478-A482 WeakPolarHBondContact O-CB 3.09Å; Q478-A482 PolarHBondContact O-N 2.64Å |
| 479 | K | 86.4 | Confident | 85.4 | Confident | 131 Ų | 131 | 98 Ų | 98 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.2 | -46.4 | 174.5 | 179.8 | 175.7 | 169 | 179.6 | 0 | 111.6 | E475 V477 N481 A482 E483 | E475-K479 WeakPolarHBondContact O-CB 3.44Å; E475-K479 PolarHBondContact O-N 2.93Å; V477-K479 VanDerWaalsContact C-N 3.3Å; V477-K479 PolarHBondContact O-N 3.33Å; K479-N481 VanDerWaalsContact C-N 3.32Å; K479-N481 PolarHBondContact O-N 3.2Å; K479-A482 PolarHBondContact O-N 2.94Å; K479-E483 WeakPolarHBondContact CE-OE1 3.4Å; K479-E483 HydrophobicContact CG-CG 4.41Å; K479-E483 IonicContact NZ-OE1 2.85Å; K479-E483 WeakPolarHBondContact O-CB 3.45Å; K479-E483 WeakPolarHBondContact O-CG 3.49Å; K479-E483 PolarHBondContact O-N 3.47Å |
| 480 | K | 86.3 | Confident | 85.3 | Confident | 138 Ų | 138 | 101 Ų | 101 | 60% | 0.6 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.2 | -40.9 | 175.5 | -75.8 | 177.8 | 177.8 | -177.9 | 0 | 112.2 | G476 V477 E483 Q484 | G476-K480 WeakPolarHBondContact O-CG 3.45Å; G476-K480 PolarHBondContact O-N 2.97Å; V477-K480 PolarHBondContact O-N 3.24Å; K480-E483 PolarHBondContact O-N 3.12Å; K480-Q484 WeakPolarHBondContact O-CG 3.38Å; K480-Q484 PolarHBondContact O-N 2.92Å |
| 481 | N | 85.7 | Confident | 85.4 | Confident | 92 Ų | 92 | 103.5 Ų | 103.5 | 49% | 0.492 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 176.8 | -63.8 | -3.3 | 0 | 0 | 0 | 111.5 | V477 Q478 K479 Q484 A485 | V477-N481 VanDerWaalsContact O-CG 3.32Å; V477-N481 PolarHBondContact O-N 2.95Å; V477-N481 PolarHBondContact O-OD1 2.95Å; Q478-N481 PolarHBondContact O-N 3.18Å; K479-N481 VanDerWaalsContact C-N 3.32Å; K479-N481 PolarHBondContact O-N 3.2Å; N481-Q484 PolarHBondContact O-N 2.86Å; N481-A485 PolarHBondContact O-N 3.29Å |
| 482 | A | 81.8 | Confident | 85.1 | Confident | 60 Ų | 60 | 103.9 Ų | 103.9 | 50% | 0.496 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q478 K479 A485 A486 | Q478-A482 WeakPolarHBondContact O-CB 3.09Å; Q478-A482 PolarHBondContact O-N 2.64Å; K479-A482 PolarHBondContact O-N 2.94Å; A482-A485 PolarHBondContact O-N 2.85Å; A482-A486 WeakPolarHBondContact O-CB 3.41Å; A482-A486 PolarHBondContact O-N 3.5Å |
| 483 | E | 85.9 | Confident | 85.2 | Confident | 98 Ų | 98 | 103 Ų | 103 | 46% | 0.458 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 173.2 | -74.7 | 172.1 | 162.7 | 0 | 0 | 111.5 | K479 K480 A486 T487 | K479-E483 WeakPolarHBondContact CE-OE1 3.4Å; K479-E483 HydrophobicContact CG-CG 4.41Å; K479-E483 IonicContact NZ-OE1 2.85Å; K479-E483 WeakPolarHBondContact O-CB 3.45Å; K479-E483 WeakPolarHBondContact O-CG 3.49Å; K479-E483 PolarHBondContact O-N 3.47Å; K480-E483 PolarHBondContact O-N 3.12Å; E483-A486 PolarHBondContact O-N 3.36Å; E483-T487 PolarHBondContact O-N 3.31Å; E483-T487 PolarHBondContact O-OG1 3.08Å |
| 484 | Q | 84.1 | Confident | 85.4 | Confident | 128 Ų | 128 | 102 Ų | 102 | 60% | 0.598 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.1 | -42.2 | 172.7 | -73.5 | 176 | -6.7 | 0 | 0 | 112.7 | K480 N481 A486 T487 Q488 | K480-Q484 WeakPolarHBondContact O-CG 3.38Å; K480-Q484 PolarHBondContact O-N 2.92Å; N481-Q484 PolarHBondContact O-N 2.86Å; Q484-A486 VanDerWaalsContact C-N 3.31Å; Q484-A486 PolarHBondContact O-N 2.91Å; Q484-T487 PolarHBondContact O-N 3.45Å; Q484-T487 PolarHBondContact O-OG1 3.19Å; Q484-Q488 PolarHBondContact O-N 3.37Å |
| 485 | A | 87.5 | Confident | 85.3 | Confident | 48 Ų | 48 | 100 Ų | 100 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -38.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N481 A482 Q488 L489 | N481-A485 PolarHBondContact O-N 3.29Å; A482-A485 PolarHBondContact O-N 2.85Å; A485-Q488 PolarHBondContact O-N 3.13Å; A485-L489 WeakPolarHBondContact O-CG 3.14Å; A485-L489 PolarHBondContact O-N 3.41Å |
| 486 | A | 82.8 | Confident | 85.4 | Confident | 57 Ų | 57 | 96.8 Ų | 96.8 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.5 | -38.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A482 E483 Q484 K490 | A482-A486 WeakPolarHBondContact O-CB 3.41Å; A482-A486 PolarHBondContact O-N 3.5Å; E483-A486 PolarHBondContact O-N 3.36Å; Q484-A486 VanDerWaalsContact C-N 3.31Å; Q484-A486 PolarHBondContact O-N 2.91Å; A486-K490 WeakPolarHBondContact O-CB 3.43Å; A486-K490 PolarHBondContact O-N 3.35Å |
| 487 | T | 86.5 | Confident | 85.4 | Confident | 90 Ų | 90 | 100 Ų | 100 | 55% | 0.552 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -68.1 | -37.4 | 173.5 | 55.7 | 0 | 0 | 0 | 0 | 111.8 | E483 Q484 K490 V491 | E483-T487 PolarHBondContact O-N 3.31Å; E483-T487 PolarHBondContact O-OG1 3.08Å; Q484-T487 PolarHBondContact O-N 3.45Å; Q484-T487 PolarHBondContact O-OG1 3.19Å; T487-K490 WeakPolarHBondContact O-CB 3.31Å; T487-K490 PolarHBondContact O-N 2.93Å; T487-V491 PolarHBondContact O-N 3.14Å; T487-V491 VanDerWaalsContact O-N 3.08Å |
| 488 | Q | 86.5 | Confident | 85.4 | Confident | 135 Ų | 135 | 101 Ų | 101 | 63% | 0.631 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 175 | -167.2 | 173.3 | 18.8 | 0 | 0 | 112.4 | Q484 A485 K490 V491 Q492 | Q484-Q488 PolarHBondContact O-N 3.37Å; A485-Q488 PolarHBondContact O-N 3.13Å; Q488-K490 VanDerWaalsContact C-N 3.33Å; Q488-K490 PolarHBondContact O-N 3.04Å; Q488-V491 PolarHBondContact O-N 3.32Å; Q488-Q492 PolarHBondContact O-N 2.99Å; Q488-Q492 VanDerWaalsContact O-N 3.14Å |
| 489 | L | 87.5 | Confident | 85.7 | Confident | 111 Ų | 111 | 102 Ų | 102 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64 | -35.8 | 173 | -74 | 171.3 | 0 | 0 | 0 | 112.3 | A485 Q492 L493 | A485-L489 WeakPolarHBondContact O-CG 3.14Å; A485-L489 PolarHBondContact O-N 3.41Å; L489-Q492 PolarHBondContact O-N 2.89Å; L489-L493 PolarHBondContact O-N 3.37Å |
| 490 | K | 87.4 | Confident | 85.5 | Confident | 146 Ų | 146 | 103.2 Ų | 103.2 | 64% | 0.635 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -39.1 | 175.1 | -172.6 | 175.7 | 179.5 | 179.6 | 0 | 112.2 | A486 T487 Q488 L493 Q494 | A486-K490 WeakPolarHBondContact O-CB 3.43Å; A486-K490 PolarHBondContact O-N 3.35Å; T487-K490 WeakPolarHBondContact O-CB 3.31Å; T487-K490 PolarHBondContact O-N 2.93Å; Q488-K490 VanDerWaalsContact C-N 3.33Å; Q488-K490 PolarHBondContact O-N 3.04Å; K490-L493 PolarHBondContact O-N 3.27Å; K490-Q494 PolarHBondContact O-N 2.88Å |
| 491 | V | 90.2 | Very high | 85.5 | Confident | 87 Ų | 87 | 103.1 Ų | 103.1 | 53% | 0.527 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 173.4 | 174 | 0 | 0 | 0 | 0 | 110.9 | T487 Q488 L493 Q494 E495 | T487-V491 PolarHBondContact O-N 3.14Å; T487-V491 VanDerWaalsContact O-N 3.08Å; Q488-V491 PolarHBondContact O-N 3.32Å; V491-L493 VanDerWaalsContact C-N 3.34Å; V491-L493 PolarHBondContact O-N 3.44Å; V491-Q494 PolarHBondContact O-N 3.24Å; V491-E495 PolarHBondContact O-N 2.89Å |
| 492 | Q | 84.4 | Confident | 85.7 | Confident | 113 Ų | 113 | 103.5 Ų | 103.5 | 53% | 0.528 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 176.3 | -71.3 | -174.3 | -8.4 | 0 | 0 | 113 | Q488 L489 E495 A496 | Q488-Q492 PolarHBondContact O-N 2.99Å; Q488-Q492 VanDerWaalsContact O-N 3.14Å; L489-Q492 PolarHBondContact O-N 2.89Å; Q492-E495 PolarHBondContact O-N 2.79Å; Q492-A496 WeakPolarHBondContact O-CB 3.36Å; Q492-A496 PolarHBondContact O-N 3.5Å |
| 493 | L | 85.3 | Confident | 86 | Confident | 103 Ų | 103 | 103.8 Ų | 103.8 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 173.5 | -168 | 79.2 | 0 | 0 | 0 | 110.6 | L489 K490 V491 E495 A496 E497 | L489-L493 PolarHBondContact O-N 3.37Å; K490-L493 PolarHBondContact O-N 3.27Å; V491-L493 VanDerWaalsContact C-N 3.34Å; V491-L493 PolarHBondContact O-N 3.44Å; L493-E495 VanDerWaalsContact C-N 3.32Å; L493-E495 PolarHBondContact O-N 3.39Å; L493-A496 CarbonylContact O-C 3.57Å; L493-A496 WeakPolarHBondContact O-CA 3.48Å; L493-A496 WeakPolarHBondContact O-CB 3.47Å; L493-A496 PolarHBondContact O-N 3.49Å; L493-E497 WeakPolarHBondContact O-CG 3.46Å; L493-E497 PolarHBondContact O-N 2.88Å |
| 494 | Q | 85.4 | Confident | 85.7 | Confident | 123 Ų | 123 | 101.5 Ų | 101.5 | 58% | 0.575 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.9 | -31.9 | -178.4 | -157.1 | 171.1 | 8.5 | 0 | 0 | 112.5 | K490 V491 R498 | K490-Q494 PolarHBondContact O-N 2.88Å; V491-Q494 PolarHBondContact O-N 3.24Å; Q494-R498 PolarHBondContact O-N 3.31Å |
| 495 | E | 84.4 | Confident | 85.9 | Confident | 78 Ų | 78 | 98.9 Ų | 98.9 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 168.3 | -74 | -146.2 | 100.8 | 0 | 0 | 113.2 | V491 Q492 L493 R498 R499 | V491-E495 PolarHBondContact O-N 2.89Å; Q492-E495 PolarHBondContact O-N 2.79Å; L493-E495 VanDerWaalsContact C-N 3.32Å; L493-E495 PolarHBondContact O-N 3.39Å; E495-R498 IonicContact OE1-NH2 3.48Å; E495-R498 PolarHBondContact OE1-NH2 3.04Å; E495-R498 VanDerWaalsContact OE1-NH2 3.13Å; E495-R499 VanDerWaalsContact O-CG 3.28Å; E495-R499 WeakPolarHBondContact O-CG 3.4Å; E495-R499 PolarHBondContact O-N 3.21Å |
| 496 | A | 83 | Confident | 86 | Confident | 56 Ų | 56 | 103.2 Ų | 103.2 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69 | -38.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q492 L493 R499 W500 | Q492-A496 WeakPolarHBondContact O-CB 3.36Å; Q492-A496 PolarHBondContact O-N 3.5Å; L493-A496 CarbonylContact O-C 3.57Å; L493-A496 WeakPolarHBondContact O-CA 3.48Å; L493-A496 WeakPolarHBondContact O-CB 3.47Å; L493-A496 PolarHBondContact O-N 3.49Å; A496-R499 PolarHBondContact O-N 3.03Å; A496-W500 WeakPolarHBondContact O-CB 3.46Å; A496-W500 PolarHBondContact O-N 2.85Å |
| 497 | E | 82.9 | Confident | 86.1 | Confident | 102 Ų | 102 | 104.1 Ų | 104.1 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -51 | 172 | -72.3 | 170.5 | 158.3 | 0 | 0 | 110.8 | L493 R499 W500 E501 | L493-E497 WeakPolarHBondContact O-CG 3.46Å; L493-E497 PolarHBondContact O-N 2.88Å; E497-R499 PolarHBondContact O-N 3.46Å; E497-W500 WeakPolarHBondContact O-CA 3.41Å; E497-W500 WeakPolarHBondContact O-CB 3.44Å; E497-W500 PolarHBondContact O-N 3.01Å; E497-E501 PolarHBondContact O-N 3.31Å |
| 498 | R | 86.8 | Confident | 86.1 | Confident | 101 Ų | 101 | 107.3 Ų | 107.3 | 38% | 0.381 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.1 | -45.6 | 174.6 | 179.1 | -178.8 | 58.8 | 77.2 | -3.5 | 112.5 | Q494 E495 W500 E501 E502 | Q494-R498 PolarHBondContact O-N 3.31Å; E495-R498 IonicContact OE1-NH2 3.48Å; E495-R498 PolarHBondContact OE1-NH2 3.04Å; E495-R498 VanDerWaalsContact OE1-NH2 3.13Å; R498-W500 VanDerWaalsContact C-N 3.29Å; R498-W500 PolarHBondContact O-N 3.2Å; R498-E501 PolarHBondContact O-N 3.47Å; R498-E502 WeakPolarHBondContact CG-OE1 3.4Å; R498-E502 IonicContact CZ-OE1 2.73Å; R498-E502 IonicContact NH1-OE1 3.68Å; R498-E502 PolarHBondContact NH1-OE1 3.29Å; R498-E502 IonicContact NH1-OE2 3.36Å; R498-E502 PolarHBondContact NH1-OE2 3.4Å; R498-E502 WeakPolarHBondContact O-CG 3.45Å; R498-E502 PolarHBondContact O-N 2.9Å |
| 499 | R | 88.1 | Confident | 86.2 | Confident | 145 Ų | 145 | 107.3 Ų | 107.3 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -34.5 | 176.7 | -72.2 | 175 | -166 | -163.2 | 6.6 | 112.2 | E495 A496 E497 V503 | E495-R499 VanDerWaalsContact O-CG 3.28Å; E495-R499 WeakPolarHBondContact O-CG 3.4Å; E495-R499 PolarHBondContact O-N 3.21Å; A496-R499 PolarHBondContact O-N 3.03Å; E497-R499 PolarHBondContact O-N 3.46Å; R499-V503 WeakPolarHBondContact O-CG2 3.35Å; R499-V503 PolarHBondContact O-N 2.67Å |
| 500 | W | 82.6 | Confident | 86 | Confident | 157 Ų | 157 | 108.3 Ų | 108.3 | 60% | 0.595 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.3 | -38.8 | 174.2 | 179.5 | -111.9 | 0 | 0 | 0 | 112 | A496 E497 R498 V503 Q504 | A496-W500 WeakPolarHBondContact O-CB 3.46Å; A496-W500 PolarHBondContact O-N 2.85Å; E497-W500 WeakPolarHBondContact O-CA 3.41Å; E497-W500 WeakPolarHBondContact O-CB 3.44Å; E497-W500 PolarHBondContact O-N 3.01Å; R498-W500 VanDerWaalsContact C-N 3.29Å; R498-W500 PolarHBondContact O-N 3.2Å; W500-V503 HydrophobicContact CE3-CG1 4.49Å; W500-V503 HydrophobicContact CZ3-CG1 4.47Å; W500-V503 PolarHBondContact O-N 2.78Å; W500-Q504 HydrophobicContact CD2-CG 4.26Å; W500-Q504 HydrophobicContact CG-CG 4.49Å; W500-Q504 HydrophobicContact CZ2-CG 4.19Å; W500-Q504 WeakPolarHBondContact O-CB 3.39Å; W500-Q504 VanDerWaalsContact O-CG 3.26Å; W500-Q504 WeakPolarHBondContact O-CG 3.44Å; W500-Q504 PolarHBondContact O-N 3.03Å |
| 501 | E | 87.2 | Confident | 85.6 | Confident | 136 Ų | 136 | 104.5 Ų | 104.5 | 64% | 0.636 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 172.5 | -69.3 | -174.6 | 149.6 | 0 | 0 | 112.3 | E497 R498 Q504 S505 | E497-E501 PolarHBondContact O-N 3.31Å; R498-E501 PolarHBondContact O-N 3.47Å; E501-Q504 PolarHBondContact O-N 3.4Å; E501-S505 VanDerWaalsContact O-CB 3.29Å; E501-S505 WeakPolarHBondContact O-CB 3.26Å; E501-S505 PolarHBondContact O-N 3.26Å |
| 502 | E | 89.3 | Confident | 85.3 | Confident | 99 Ų | 99 | 102.9 Ų | 102.9 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 172.7 | -73.8 | 163 | -174 | 0 | 0 | 111.4 | R498 S505 Y506 | R498-E502 WeakPolarHBondContact CG-OE1 3.4Å; R498-E502 IonicContact CZ-OE1 2.73Å; R498-E502 IonicContact NH1-OE1 3.68Å; R498-E502 PolarHBondContact NH1-OE1 3.29Å; R498-E502 IonicContact NH1-OE2 3.36Å; R498-E502 PolarHBondContact NH1-OE2 3.4Å; R498-E502 WeakPolarHBondContact O-CG 3.45Å; R498-E502 PolarHBondContact O-N 2.9Å; E502-S505 PolarHBondContact O-N 2.92Å; E502-Y506 PolarHBondContact O-N 2.84Å |
| 503 | V | 87.6 | Confident | 85.1 | Confident | 67 Ų | 67 | 101.2 Ų | 101.2 | 41% | 0.406 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 175 | 168.4 | 0 | 0 | 0 | 0 | 111.9 | R499 W500 S505 Y506 I507 | R499-V503 WeakPolarHBondContact O-CG2 3.35Å; R499-V503 PolarHBondContact O-N 2.67Å; W500-V503 HydrophobicContact CE3-CG1 4.49Å; W500-V503 HydrophobicContact CZ3-CG1 4.47Å; W500-V503 PolarHBondContact O-N 2.78Å; V503-S505 VanDerWaalsContact C-N 3.33Å; V503-S505 PolarHBondContact O-N 3.46Å; V503-Y506 PolarHBondContact O-N 2.89Å; V503-I507 HydrophobicContact CG1-CD1 3.86Å; V503-I507 HydrophobicContact CG1-CG1 4.47Å; V503-I507 VanDerWaalsContact O-CG1 3.29Å; V503-I507 WeakPolarHBondContact O-CG1 3.45Å; V503-I507 PolarHBondContact O-N 3.48Å |
| 504 | Q | 81.2 | Confident | 84.6 | Confident | 49 Ų | 49 | 102.1 Ų | 102.1 | 23% | 0.229 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -63 | -38.9 | 175.3 | -79.2 | -73.4 | -43.6 | 0 | 0 | 112 | W500 E501 I507 R508 | W500-Q504 HydrophobicContact CD2-CG 4.26Å; W500-Q504 HydrophobicContact CG-CG 4.49Å; W500-Q504 HydrophobicContact CZ2-CG 4.19Å; W500-Q504 WeakPolarHBondContact O-CB 3.39Å; W500-Q504 VanDerWaalsContact O-CG 3.26Å; W500-Q504 WeakPolarHBondContact O-CG 3.44Å; W500-Q504 PolarHBondContact O-N 3.03Å; E501-Q504 PolarHBondContact O-N 3.4Å; Q504-I507 PolarHBondContact O-N 3.06Å; Q504-R508 VanDerWaalsContact O-CG 3.31Å; Q504-R508 WeakPolarHBondContact O-CG 3.44Å; Q504-R508 PolarHBondContact O-N 2.85Å |
| 505 | S | 87.8 | Confident | 84.3 | Confident | 73 Ų | 73 | 101.6 Ų | 101.6 | 51% | 0.51 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 174.1 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | E501 E502 V503 I507 R508 K509 | E501-S505 VanDerWaalsContact O-CB 3.29Å; E501-S505 WeakPolarHBondContact O-CB 3.26Å; E501-S505 PolarHBondContact O-N 3.26Å; E502-S505 PolarHBondContact O-N 2.92Å; V503-S505 VanDerWaalsContact C-N 3.33Å; V503-S505 PolarHBondContact O-N 3.46Å; S505-I507 PolarHBondContact O-N 3.36Å; S505-R508 PolarHBondContact O-N 2.85Å; S505-K509 WeakPolarHBondContact O-CB 3.25Å; S505-K509 PolarHBondContact O-N 3.29Å |
| 506 | Y | 88.9 | Confident | 84.1 | Confident | 139 Ų | 139 | 100.6 Ų | 100.6 | 55% | 0.545 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 174 | 176.4 | -100.4 | 0 | 0 | 0 | 112.4 | E502 V503 K509 R510 | E502-Y506 PolarHBondContact O-N 2.84Å; V503-Y506 PolarHBondContact O-N 2.89Å; Y506-K509 PolarHBondContact O-N 3.11Å; Y506-R510 HydrophobicContact CD1-CG 4.43Å; Y506-R510 HydrophobicContact CE1-CG 3.91Å; Y506-R510 HydrophobicContact CE2-CG 4.02Å; Y506-R510 WeakPolarHBondContact O-CG 3.36Å; Y506-R510 PolarHBondContact O-N 2.84Å; Y506-R510 PolarHBondContact OH-NE 3.49Å; Y506-R510 VanDerWaalsContact OH-NE 3.1Å |
| 507 | I | 84.8 | Confident | 83.9 | Confident | 77 Ų | 77 | 100.4 Ų | 100.4 | 40% | 0.395 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.7 | -51.9 | 175.3 | -70.1 | 165.4 | 0 | 0 | 0 | 110.3 | V503 Q504 S505 K509 R510 T511 | V503-I507 HydrophobicContact CG1-CD1 3.86Å; V503-I507 HydrophobicContact CG1-CG1 4.47Å; V503-I507 VanDerWaalsContact O-CG1 3.29Å; V503-I507 WeakPolarHBondContact O-CG1 3.45Å; V503-I507 PolarHBondContact O-N 3.48Å; Q504-I507 PolarHBondContact O-N 3.06Å; S505-I507 PolarHBondContact O-N 3.36Å; I507-K509 VanDerWaalsContact C-N 3.28Å; I507-K509 PolarHBondContact O-N 3.02Å; I507-R510 CarbonylContact O-C 3.57Å; I507-R510 PolarHBondContact O-N 3.28Å; I507-R510 VanDerWaalsContact O-N 3.07Å; I507-T511 PolarHBondContact O-N 2.97Å; I507-T511 PolarHBondContact O-OG1 3.48Å |
| 508 | R | 86.4 | Confident | 83.3 | Confident | 156 Ų | 156 | 100.1 Ų | 100.1 | 59% | 0.589 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -57.8 | -40.5 | 178.2 | -71.4 | 173.2 | -160.4 | 131.3 | 7.6 | 112.2 | Q504 S505 T511 A512 | Q504-R508 VanDerWaalsContact O-CG 3.31Å; Q504-R508 WeakPolarHBondContact O-CG 3.44Å; Q504-R508 PolarHBondContact O-N 2.85Å; S505-R508 PolarHBondContact O-N 2.85Å; R508-T511 PolarHBondContact O-N 3.43Å; R508-A512 WeakPolarHBondContact O-CB 3.38Å; R508-A512 PolarHBondContact O-N 3.23Å |
| 509 | K | 89.3 | Confident | 82.7 | Confident | 135 Ų | 135 | 102.3 Ų | 102.3 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 175.2 | -169.6 | -176.7 | 178.1 | -168.4 | 0 | 111.5 | S505 Y506 I507 T511 A512 E513 | S505-K509 WeakPolarHBondContact O-CB 3.25Å; S505-K509 PolarHBondContact O-N 3.29Å; Y506-K509 PolarHBondContact O-N 3.11Å; I507-K509 VanDerWaalsContact C-N 3.28Å; I507-K509 PolarHBondContact O-N 3.02Å; K509-T511 VanDerWaalsContact C-N 3.35Å; K509-T511 PolarHBondContact O-N 3.37Å; K509-A512 PolarHBondContact O-N 2.95Å; K509-E513 WeakPolarHBondContact CE-OE1 3.29Å; K509-E513 IonicContact NZ-OE1 3.57Å; K509-E513 WeakPolarHBondContact O-CB 3.19Å; K509-E513 WeakPolarHBondContact O-CG 3.46Å; K509-E513 PolarHBondContact O-N 3.34Å |
| 510 | R | 83.8 | Confident | 82.1 | Confident | 132 Ų | 132 | 99.2 Ų | 99.2 | 50% | 0.498 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 175.1 | -75 | -51.3 | -147.6 | 160.2 | 10.4 | 113.1 | Y506 I507 E513 H514 | Y506-R510 HydrophobicContact CD1-CG 4.43Å; Y506-R510 HydrophobicContact CE1-CG 3.91Å; Y506-R510 HydrophobicContact CE2-CG 4.02Å; Y506-R510 WeakPolarHBondContact O-CG 3.36Å; Y506-R510 PolarHBondContact O-N 2.84Å; Y506-R510 PolarHBondContact OH-NE 3.49Å; Y506-R510 VanDerWaalsContact OH-NE 3.1Å; I507-R510 CarbonylContact O-C 3.57Å; I507-R510 PolarHBondContact O-N 3.28Å; I507-R510 VanDerWaalsContact O-N 3.07Å; R510-E513 WeakPolarHBondContact CD-OE2 3.4Å; R510-E513 IonicContact CZ-OE2 2.59Å; R510-E513 IonicContact NE-OE2 2.64Å; R510-E513 IonicContact NH1-OE2 3.88Å; R510-E513 PolarHBondContact NH1-OE2 2.92Å; R510-H514 WeakPolarHBondContact O-CB 3.32Å; R510-H514 PolarHBondContact O-N 3.45Å |
| 511 | T | 79.1 | Confident | 81.8 | Confident | 66 Ų | 66 | 96.6 Ų | 96.6 | 41% | 0.405 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -46 | 172.5 | -57.4 | 0 | 0 | 0 | 0 | 111 | I507 R508 K509 E513 H514 E515 | I507-T511 PolarHBondContact O-N 2.97Å; I507-T511 PolarHBondContact O-OG1 3.48Å; R508-T511 PolarHBondContact O-N 3.43Å; K509-T511 VanDerWaalsContact C-N 3.35Å; K509-T511 PolarHBondContact O-N 3.37Å; T511-E513 PolarHBondContact O-N 2.95Å; T511-H514 CarbonylContact O-C 3.54Å; T511-H514 WeakPolarHBondContact O-CB 3.49Å; T511-H514 PolarHBondContact O-N 3.22Å; T511-H514 VanDerWaalsContact O-N 3.13Å; T511-E515 HydrophobicContact CG2-CG 4.35Å; T511-E515 WeakPolarHBondContact O-CB 3.44Å; T511-E515 WeakPolarHBondContact O-CG 3.22Å; T511-E515 PolarHBondContact O-N 3.35Å |
| 512 | A | 82.2 | Confident | 81 | Confident | 53 Ų | 53 | 95.7 Ų | 95.7 | 44% | 0.438 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | R508 K509 H514 E515 A516 | R508-A512 WeakPolarHBondContact O-CB 3.38Å; R508-A512 PolarHBondContact O-N 3.23Å; K509-A512 PolarHBondContact O-N 2.95Å; A512-H514 VanDerWaalsContact C-N 3.32Å; A512-E515 PolarHBondContact O-N 2.95Å; A512-A516 WeakPolarHBondContact O-CB 3.34Å; A512-A516 PolarHBondContact O-N 3.49Å |
| 513 | E | 80.6 | Confident | 80.1 | Confident | 78 Ų | 78 | 95 Ų | 95 | 36% | 0.364 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 170.8 | -74.7 | 170.1 | -165.4 | 0 | 0 | 111.5 | K509 R510 T511 A517 | K509-E513 WeakPolarHBondContact CE-OE1 3.29Å; K509-E513 IonicContact NZ-OE1 3.57Å; K509-E513 WeakPolarHBondContact O-CB 3.19Å; K509-E513 WeakPolarHBondContact O-CG 3.46Å; K509-E513 PolarHBondContact O-N 3.34Å; R510-E513 WeakPolarHBondContact CD-OE2 3.4Å; R510-E513 IonicContact CZ-OE2 2.59Å; R510-E513 IonicContact NE-OE2 2.64Å; R510-E513 IonicContact NH1-OE2 3.88Å; R510-E513 PolarHBondContact NH1-OE2 2.92Å; T511-E513 PolarHBondContact O-N 2.95Å; E513-A517 WeakPolarHBondContact O-CB 3.49Å; E513-A517 PolarHBondContact O-N 3.04Å; E513-A517 VanDerWaalsContact O-N 3.11Å |
| 514 | H | 74.9 | Confident | 79.5 | Confident | 122 Ų | 122 | 97.2 Ų | 97.2 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.2 | -43.8 | 175.6 | -177.2 | -73.8 | 0 | 0 | 0 | 112.4 | R510 T511 A512 A516 A517 Q518 | R510-H514 WeakPolarHBondContact O-CB 3.32Å; R510-H514 PolarHBondContact O-N 3.45Å; T511-H514 CarbonylContact O-C 3.54Å; T511-H514 WeakPolarHBondContact O-CB 3.49Å; T511-H514 PolarHBondContact O-N 3.22Å; T511-H514 VanDerWaalsContact O-N 3.13Å; A512-H514 VanDerWaalsContact C-N 3.32Å; H514-A516 PolarHBondContact O-N 2.85Å; H514-A517 PolarHBondContact O-N 3.16Å; H514-Q518 PolarHBondContact CE1-OE1 3.01Å; H514-Q518 VanDerWaalsContact O-CB 3.25Å; H514-Q518 WeakPolarHBondContact O-CB 3.32Å; H514-Q518 PolarHBondContact O-N 3.27Å |
| 515 | E | 78.9 | Confident | 78.8 | Confident | 113 Ų | 113 | 101.5 Ų | 101.5 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 177.7 | -74.4 | 171.6 | 173.5 | 0 | 0 | 111.8 | T511 A512 Q518 Q519 | T511-E515 HydrophobicContact CG2-CG 4.35Å; T511-E515 WeakPolarHBondContact O-CB 3.44Å; T511-E515 WeakPolarHBondContact O-CG 3.22Å; T511-E515 PolarHBondContact O-N 3.35Å; A512-E515 PolarHBondContact O-N 2.95Å; E515-Q518 PolarHBondContact O-N 3.5Å; E515-Q519 PolarHBondContact O-N 2.93Å |
| 516 | A | 81 | Confident | 77.8 | Confident | 57 Ų | 57 | 101.8 Ų | 101.8 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A512 H514 Q518 Q519 D520 | A512-A516 WeakPolarHBondContact O-CB 3.34Å; A512-A516 PolarHBondContact O-N 3.49Å; H514-A516 PolarHBondContact O-N 2.85Å; A516-Q518 VanDerWaalsContact C-N 3.28Å; A516-Q518 PolarHBondContact O-N 2.9Å; A516-Q519 PolarHBondContact O-N 2.95Å; A516-D520 PolarHBondContact O-N 3.45Å |
| 517 | A | 77.9 | Confident | 76.6 | Confident | 51 Ų | 51 | 98.6 Ų | 98.6 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -34 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E513 H514 L521 | E513-A517 WeakPolarHBondContact O-CB 3.49Å; E513-A517 PolarHBondContact O-N 3.04Å; E513-A517 VanDerWaalsContact O-N 3.11Å; H514-A517 PolarHBondContact O-N 3.16Å; A517-L521 WeakPolarHBondContact O-CB 3.49Å; A517-L521 WeakPolarHBondContact O-CG 3.07Å; A517-L521 PolarHBondContact O-N 2.82Å |
| 518 | Q | 70.5 | Confident | 75.6 | Confident | 96 Ų | 96 | 100.5 Ų | 100.5 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.9 | -37.2 | 175.7 | -174.9 | 174.3 | -23.7 | 0 | 0 | 111.9 | H514 E515 A516 L521 Q522 | H514-Q518 PolarHBondContact CE1-OE1 3.01Å; H514-Q518 VanDerWaalsContact O-CB 3.25Å; H514-Q518 WeakPolarHBondContact O-CB 3.32Å; H514-Q518 PolarHBondContact O-N 3.27Å; E515-Q518 PolarHBondContact O-N 3.5Å; A516-Q518 VanDerWaalsContact C-N 3.28Å; A516-Q518 PolarHBondContact O-N 2.9Å; Q518-L521 PolarHBondContact O-N 3.45Å; Q518-Q522 WeakPolarHBondContact O-CB 3.17Å; Q518-Q522 PolarHBondContact O-N 3.13Å |
| 519 | Q | 75.4 | Confident | 74.2 | Confident | 147 Ų | 147 | 98.3 Ų | 98.3 | 69% | 0.687 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.9 | -39.2 | 172.9 | -77.9 | -170.6 | -14.5 | 0 | 0 | 112.6 | E515 A516 Q522 S523 | E515-Q519 PolarHBondContact O-N 2.93Å; A516-Q519 PolarHBondContact O-N 2.95Å; Q519-Q522 PolarHBondContact O-N 3.48Å; Q519-S523 WeakPolarHBondContact O-CB 3.49Å; Q519-S523 PolarHBondContact O-N 3.37Å |
| 520 | D | 75.4 | Confident | 72.6 | Confident | 80 Ų | 80 | 97.5 Ų | 97.5 | 43% | 0.428 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 171.8 | 170 | 67.6 | 0 | 0 | 0 | 111.6 | A516 Q522 S523 K524 | A516-D520 PolarHBondContact O-N 3.45Å; D520-Q522 VanDerWaalsContact C-N 3.34Å; D520-Q522 PolarHBondContact O-N 3Å; D520-S523 PolarHBondContact O-N 3.49Å; D520-K524 WeakPolarHBondContact O-CD 3.36Å; D520-K524 WeakPolarHBondContact O-CG 3.31Å; D520-K524 PolarHBondContact O-N 2.84Å; D520-K524 VanDerWaalsContact O-N 3.1Å; D520-K524 WeakPolarHBondContact OD1-CE 3.38Å; D520-K524 IonicContact OD1-NZ 2.81Å; D520-K524 PolarHBondContact OD1-NZ 2.88Å; D520-K524 IonicContact OD2-NZ 2.65Å; D520-K524 PolarHBondContact OD2-NZ 3.38Å |
| 521 | L | 74.9 | Confident | 71.5 | Confident | 102 Ų | 102 | 96.4 Ų | 96.4 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -37.9 | 171.4 | -81.7 | 168.4 | 0 | 0 | 0 | 112.7 | A517 Q518 K524 F525 | A517-L521 WeakPolarHBondContact O-CB 3.49Å; A517-L521 WeakPolarHBondContact O-CG 3.07Å; A517-L521 PolarHBondContact O-N 2.82Å; Q518-L521 PolarHBondContact O-N 3.45Å; L521-K524 CarbonylContact O-C 3.58Å; L521-K524 PolarHBondContact O-N 2.84Å; L521-F525 WeakPolarHBondContact O-CB 3.36Å; L521-F525 PolarHBondContact O-N 2.9Å |
| 522 | Q | 70.5 | Confident | 70.5 | Confident | 117 Ų | 117 | 97.5 Ų | 97.5 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74.5 | -33.7 | -178.1 | -166.8 | 156.7 | -3.6 | 0 | 0 | 112.1 | Q518 Q519 D520 F525 V526 | Q518-Q522 WeakPolarHBondContact O-CB 3.17Å; Q518-Q522 PolarHBondContact O-N 3.13Å; Q519-Q522 PolarHBondContact O-N 3.48Å; D520-Q522 VanDerWaalsContact C-N 3.34Å; D520-Q522 PolarHBondContact O-N 3Å; Q522-F525 PolarHBondContact O-N 3.25Å; Q522-V526 WeakPolarHBondContact O-CG2 3.24Å; Q522-V526 PolarHBondContact O-N 3.47Å |
| 523 | S | 70.4 | Confident | 69.1 | Low | 85 Ų | 85 | 102.8 Ų | 102.8 | 59% | 0.594 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.7 | -44.4 | 167.3 | -175 | 0 | 0 | 0 | 0 | 111.3 | Q519 D520 F525 V526 A527 | Q519-S523 WeakPolarHBondContact O-CB 3.49Å; Q519-S523 PolarHBondContact O-N 3.37Å; D520-S523 PolarHBondContact O-N 3.49Å; S523-F525 VanDerWaalsContact C-N 3.33Å; S523-F525 PolarHBondContact O-N 2.93Å; S523-V526 PolarHBondContact O-N 3.28Å; S523-A527 PolarHBondContact O-N 3Å; S523-A527 VanDerWaalsContact O-N 3.12Å |
| 524 | K | 74.4 | Confident | 67.8 | Low | 113 Ų | 113 | 104 Ų | 104 | 49% | 0.491 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.6 | -32.5 | 174.2 | -69.5 | 163.5 | -173.9 | 168.1 | 0 | 112.7 | D520 L521 K528 | D520-K524 WeakPolarHBondContact O-CD 3.36Å; D520-K524 WeakPolarHBondContact O-CG 3.31Å; D520-K524 PolarHBondContact O-N 2.84Å; D520-K524 VanDerWaalsContact O-N 3.1Å; D520-K524 WeakPolarHBondContact OD1-CE 3.38Å; D520-K524 IonicContact OD1-NZ 2.81Å; D520-K524 PolarHBondContact OD1-NZ 2.88Å; D520-K524 IonicContact OD2-NZ 2.65Å; D520-K524 PolarHBondContact OD2-NZ 3.38Å; L521-K524 CarbonylContact O-C 3.58Å; L521-K524 PolarHBondContact O-N 2.84Å; K524-K528 WeakPolarHBondContact O-CG 3.29Å; K524-K528 PolarHBondContact O-N 3.26Å; K524-K528 VanDerWaalsContact O-N 3.14Å |
| 525 | F | 66.7 | Low | 66.9 | Low | 140 Ų | 140 | 103.6 Ų | 103.6 | 61% | 0.614 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.4 | -46 | 173.7 | -109.7 | -86.8 | 0 | 0 | 0 | 111.8 | L521 Q522 S523 A527 K528 E529 | L521-F525 WeakPolarHBondContact O-CB 3.36Å; L521-F525 PolarHBondContact O-N 2.9Å; Q522-F525 PolarHBondContact O-N 3.25Å; S523-F525 VanDerWaalsContact C-N 3.33Å; S523-F525 PolarHBondContact O-N 2.93Å; F525-A527 VanDerWaalsContact C-N 3.25Å; F525-A527 PolarHBondContact O-N 3.38Å; F525-K528 CarbonylContact O-C 3.56Å; F525-K528 WeakPolarHBondContact O-CA 3.36Å; F525-K528 PolarHBondContact O-N 2.81Å; F525-E529 WeakPolarHBondContact O-CB 3.48Å; F525-E529 PolarHBondContact O-N 3.41Å |
| 526 | V | 68.5 | Low | 64.9 | Low | 79 Ų | 79 | 103.7 Ų | 103.7 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.7 | -36 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | Q522 S523 K528 N530 | Q522-V526 WeakPolarHBondContact O-CG2 3.24Å; Q522-V526 PolarHBondContact O-N 3.47Å; S523-V526 PolarHBondContact O-N 3.28Å; V526-K528 VanDerWaalsContact C-N 3.28Å; V526-K528 PolarHBondContact O-N 3.21Å; V526-N530 PolarHBondContact O-ND2 2.86Å |
| 527 | A | 63.5 | Low | 63.5 | Low | 71 Ų | 71 | 106.8 Ų | 106.8 | 59% | 0.587 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.9 | -30 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S523 F525 | S523-A527 PolarHBondContact O-N 3Å; S523-A527 VanDerWaalsContact O-N 3.12Å; F525-A527 VanDerWaalsContact C-N 3.25Å; F525-A527 PolarHBondContact O-N 3.38Å |
| 528 | K | 64.1 | Low | 62.3 | Low | 117 Ų | 117 | 111.6 Ų | 111.6 | 51% | 0.509 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -89.6 | -24.6 | 177.2 | -75.1 | -68.4 | 175.6 | -165.2 | 0 | 114.5 | K524 F525 V526 N530 E531 V532 | K524-K528 WeakPolarHBondContact O-CG 3.29Å; K524-K528 PolarHBondContact O-N 3.26Å; K524-K528 VanDerWaalsContact O-N 3.14Å; F525-K528 CarbonylContact O-C 3.56Å; F525-K528 WeakPolarHBondContact O-CA 3.36Å; F525-K528 PolarHBondContact O-N 2.81Å; V526-K528 VanDerWaalsContact C-N 3.28Å; V526-K528 PolarHBondContact O-N 3.21Å; K528-N530 VanDerWaalsContact C-N 3.32Å; K528-N530 PolarHBondContact O-N 2.71Å; K528-E531 WeakPolarHBondContact CD-OE2 3.43Å; K528-E531 WeakPolarHBondContact CE-OE2 3.3Å; K528-E531 IonicContact NZ-OE1 3.74Å; K528-E531 IonicContact NZ-OE2 2.56Å; K528-E531 PolarHBondContact NZ-OE2 3.44Å; K528-E531 CarbonylContact O-C 3.58Å; K528-E531 WeakPolarHBondContact O-CA 3.32Å; K528-E531 VanDerWaalsContact O-CB 3.25Å; K528-E531 WeakPolarHBondContact O-CB 3.47Å; K528-E531 PolarHBondContact O-N 3.46Å; K528-V532 WeakPolarHBondContact O-CG2 3.21Å; K528-V532 PolarHBondContact O-N 3.24Å |
| 529 | E | 55 | Low | 61 | Low | 110 Ų | 110 | 114.7 Ų | 114.7 | 51% | 0.514 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.5 | -33.2 | -177.6 | -166.4 | 161.6 | -166.2 | 0 | 0 | 111.6 | F525 E531 V532 Q533 | F525-E529 WeakPolarHBondContact O-CB 3.48Å; F525-E529 PolarHBondContact O-N 3.41Å; E529-E531 PolarHBondContact O-N 2.87Å; E529-V532 PolarHBondContact O-N 2.92Å; E529-Q533 PolarHBondContact O-N 3.4Å |
| 530 | N | 56.6 | Low | 59.1 | Low | 118 Ų | 118 | 112.5 Ų | 112.5 | 63% | 0.631 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.2 | -25 | 167.4 | -68.7 | -59.9 | 0 | 0 | 0 | 113.5 | V526 K528 | V526-N530 PolarHBondContact O-ND2 2.86Å; K528-N530 VanDerWaalsContact C-N 3.32Å; K528-N530 PolarHBondContact O-N 2.71Å |
| 531 | E | 60.9 | Low | 57.4 | Low | 109 Ų | 109 | 115.2 Ų | 115.2 | 51% | 0.509 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -86.8 | -30.7 | 175.5 | -152.5 | 175.8 | -163.4 | 0 | 0 | 111 | K528 E529 S534 | K528-E531 WeakPolarHBondContact CD-OE2 3.43Å; K528-E531 WeakPolarHBondContact CE-OE2 3.3Å; K528-E531 IonicContact NZ-OE1 3.74Å; K528-E531 IonicContact NZ-OE2 2.56Å; K528-E531 PolarHBondContact NZ-OE2 3.44Å; K528-E531 CarbonylContact O-C 3.58Å; K528-E531 WeakPolarHBondContact O-CA 3.32Å; K528-E531 VanDerWaalsContact O-CB 3.25Å; K528-E531 WeakPolarHBondContact O-CB 3.47Å; K528-E531 PolarHBondContact O-N 3.46Å; E529-E531 PolarHBondContact O-N 2.87Å; E531-S534 WeakPolarHBondContact O-CB 3.43Å; E531-S534 PolarHBondContact O-N 3.25Å |
| 532 | V | 58.1 | Low | 55.9 | Low | 89 Ų | 89 | 117 Ų | 117 | 54% | 0.539 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -78 | -28.7 | 179.1 | 171.5 | 0 | 0 | 0 | 0 | 113.1 | K528 E529 S534 L535 | K528-V532 WeakPolarHBondContact O-CG2 3.21Å; K528-V532 PolarHBondContact O-N 3.24Å; E529-V532 PolarHBondContact O-N 2.92Å; V532-S534 PolarHBondContact O-N 3.06Å; V532-S534 VanDerWaalsContact O-N 3.09Å; V532-L535 CarbonylContact O-C 3.56Å; V532-L535 WeakPolarHBondContact O-CA 3.39Å; V532-L535 PolarHBondContact O-N 2.96Å |
| 533 | Q | 52 | Low | 54.3 | Low | 165 Ų | 165 | 119.9 Ų | 119.9 | 77% | 0.771 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -17.1 | 172 | -72.7 | -173 | 6.6 | 0 | 0 | 113.5 | E529 | E529-Q533 PolarHBondContact O-N 3.4Š|
| 534 | S | 53.7 | Low | 53.1 | Low | 104 Ų | 104 | 122.3 Ų | 122.3 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -17.7 | 170.4 | -165.1 | 0 | 0 | 0 | 0 | 113.4 | E531 V532 | E531-S534 WeakPolarHBondContact O-CB 3.43Å; E531-S534 PolarHBondContact O-N 3.25Å; V532-S534 PolarHBondContact O-N 3.06Å; V532-S534 VanDerWaalsContact O-N 3.09Å |
| 535 | L | 56.9 | Low | 51.7 | Low | 112 Ų | 112 | 122 Ų | 122 | 59% | 0.586 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -117.8 | 99 | -169.9 | -67.2 | 176.5 | 0 | 0 | 0 | 112 | V532 | V532-L535 CarbonylContact O-C 3.56Å; V532-L535 WeakPolarHBondContact O-CA 3.39Å; V532-L535 PolarHBondContact O-N 2.96Å |
| 536 | H | 36.3 | Very low | 50.7 | Low | 116 Ų | 116 | 124.7 Ų | 124.7 | 54% | 0.537 | 68% | 0.681 | S | S | . | * | trans | 76.7 | 107.8 | 166.9 | -62.8 | -137.9 | 0 | 0 | 0 | 115.5 | K538 | H536-K538 HydrophobicContact CB-CB 3.82Å; H536-K538 WeakPolarHBondContact ND1-CB 3.47Å; H536-K538 PolarHBondContact ND1-O 3.43Å | ||
| 537 | S | 51.7 | Low | 49.6 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | S | Bend | cis | 59.8 | -4.3 | -2 | -160.8 | 0 | 0 | 0 | 0 | 117.7 | ||
| 538 | K | 52.6 | Low | 48.7 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 66% | 0.661 | 71% | 0.709 | S | S | * | * | trans | -157.9 | 33.2 | -170.1 | -80.9 | 176.6 | 175.9 | 177.4 | 0 | 110.8 | H536 | H536-K538 HydrophobicContact CB-CB 3.82Å; H536-K538 WeakPolarHBondContact ND1-CB 3.47Å; H536-K538 PolarHBondContact ND1-O 3.43Å | ||
| 539 | L | 42.3 | Very low | 48.1 | Very low | 162 Ų | 162 | 136.4 Ų | 136.4 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | trans | -125.5 | 36.1 | 160.3 | -160.7 | 60.5 | 0 | 0 | 0 | 110.2 | ||||
| 540 | T | 37 | Very low | 47.9 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 61% | 0.613 | 74% | 0.737 | S | S | * | * | trans | -50.8 | 151.6 | 153.8 | -36 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 541 | D | 39.5 | Very low | 47.8 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | trans | 66.4 | 90.6 | 168.3 | -54.2 | -37.1 | 0 | 0 | 0 | 118.6 | ||||
| 542 | T | 42.9 | Very low | 47.5 | Very low | 140 Ų | 140 | 146 Ų | 146 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | 171.1 | 66.9 | 133.8 | 28.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 543 | L | 36.2 | Very low | 47.4 | Very low | 177 Ų | 177 | 148.5 Ų | 148.5 | 93% | 0.927 | 77% | 0.767 | S | S | * | * | 68.4 | 128.5 | 79.6 | -158.1 | 75.2 | 0 | 0 | 0 | 114.6 | |||||
| 544 | V | 46.4 | Very low | 47.4 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | -108.8 | 140 | -171.9 | 173 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 545 | S | 44.8 | Very low | 47.5 | Very low | 106 Ų | 106 | 150.1 Ų | 150.1 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | -168.5 | 115.1 | 150.6 | -163.3 | 0 | 0 | 0 | 0 | 117 | Q547 | S545-Q547 PolarHBondContact O-N 2.92Š| ||
| 546 | K | 44.9 | Very low | 47.5 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | 17.6 | 87.9 | 127.1 | -171.7 | -162.6 | 177 | -170.3 | 0 | 119 | |||||
| 547 | Q | 46.9 | Very low | 48.4 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | trans | -152.7 | 42.3 | 161.6 | -152.1 | 173.3 | 0.4 | 0 | 0 | 115.7 | S545 | S545-Q547 PolarHBondContact O-N 2.92Š| ||
| 548 | Q | 43.8 | Very low | 48.6 | Very low | 175 Ų | 175 | 153.7 Ų | 153.7 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -133.5 | 6.6 | -179.2 | -84.6 | -171.8 | -15.4 | 0 | 0 | 116.3 | ||
| 549 | L | 51.2 | Low | 48.7 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -90.9 | -34.7 | -176.7 | -147.7 | 74.5 | 0 | 0 | 0 | 113.6 | ||
| 550 | E | 51.5 | Low | 49.3 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -78.7 | -28.6 | -165.8 | -69 | 166.4 | 159.4 | 0 | 0 | 113.7 | R552 | E550-R552 PolarHBondContact O-N 3.23Š|
| 551 | Q | 53.6 | Low | 49.9 | Very low | 174 Ų | 174 | 149.5 Ų | 149.5 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -68.5 | -16.2 | 177.9 | -79.7 | -175.9 | -24.3 | 0 | 0 | 114.4 | ||
| 552 | R | 55.8 | Low | 50.6 | Low | 197 Ų | 197 | 151.5 Ų | 151.5 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -79.9 | -20.3 | -178.4 | -96.1 | -171.2 | 172.8 | 115.1 | -1 | 114.9 | E550 | E550-R552 PolarHBondContact O-N 3.23Š|
| 553 | L | 54.6 | Low | 51.1 | Low | 142 Ų | 142 | 151.7 Ų | 151.7 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -74.4 | -28.8 | -174 | -148.4 | 74.6 | 0 | 0 | 0 | 112.7 | ||
| 554 | M | 53.3 | Low | 51.9 | Low | 153 Ų | 153 | 146.1 Ų | 146.1 | 75% | 0.754 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -76.2 | -27 | -174.3 | -166.2 | 162.9 | -78.3 | 0 | 0 | 113.7 | L556 | M554-L556 VanDerWaalsContact C-N 3.33Å; M554-L556 PolarHBondContact O-N 3.38Å |
| 555 | Q | 55.3 | Low | 52.2 | Low | 150 Ų | 150 | 143.7 Ų | 143.7 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -77 | -11.7 | -178.9 | -74 | -173.8 | -35.5 | 0 | 0 | 114.7 | ||
| 556 | L | 56.8 | Low | 52.8 | Low | 116 Ų | 116 | 146.2 Ų | 146.2 | 61% | 0.607 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -82.2 | -35.5 | -177.7 | -92.6 | 163.7 | 0 | 0 | 0 | 113.6 | M554 E558 S559 | M554-L556 VanDerWaalsContact C-N 3.33Å; M554-L556 PolarHBondContact O-N 3.38Å; L556-E558 VanDerWaalsContact C-N 3.29Å; L556-E558 PolarHBondContact O-N 3.31Å; L556-S559 WeakPolarHBondContact O-CB 3.36Å; L556-S559 PolarHBondContact O-N 3.23Å; L556-S559 VanDerWaalsContact O-N 3.11Å; L556-S559 PolarHBondContact O-OG 3.07Å |
| 557 | M | 54.5 | Low | 53.2 | Low | 144 Ų | 144 | 143.2 Ų | 143.2 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -59.6 | -38.5 | 179.6 | -86.9 | -176.1 | -75.8 | 0 | 0 | 112.8 | S559 E560 | M557-S559 PolarHBondContact O-N 2.89Å; M557-S559 VanDerWaalsContact O-N 3.14Å; M557-E560 PolarHBondContact O-N 3.27Å |
| 558 | E | 56.6 | Low | 53.7 | Low | 165 Ų | 165 | 141.1 Ų | 141.1 | 77% | 0.771 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -70.2 | -9.3 | -178.7 | -151.3 | 168.4 | -144.2 | 0 | 0 | 113.2 | L556 | L556-E558 VanDerWaalsContact C-N 3.29Å; L556-E558 PolarHBondContact O-N 3.31Å |
| 559 | S | 55.1 | Low | 54.4 | Low | 59 Ų | 59 | 136.6 Ų | 136.6 | 41% | 0.413 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -91.8 | -19.7 | 177.9 | 78.1 | 0 | 0 | 0 | 0 | 114.6 | L556 M557 | L556-S559 WeakPolarHBondContact O-CB 3.36Å; L556-S559 PolarHBondContact O-N 3.23Å; L556-S559 VanDerWaalsContact O-N 3.11Å; L556-S559 PolarHBondContact O-OG 3.07Å; M557-S559 PolarHBondContact O-N 2.89Å; M557-S559 VanDerWaalsContact O-N 3.14Å |
| 560 | E | 53.7 | Low | 55 | Low | 109 Ų | 109 | 134.1 Ų | 134.1 | 51% | 0.509 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -71.5 | -43.9 | 178.7 | -73.9 | -80.9 | 97.7 | 0 | 0 | 111.6 | M557 K562 R563 | M557-E560 PolarHBondContact O-N 3.27Å; E560-K562 PolarHBondContact O-N 3.23Å; E560-R563 WeakPolarHBondContact O-CB 3.37Å; E560-R563 PolarHBondContact O-N 3.35Å; E560-R563 IonicContact OE1-CZ 3.87Å; E560-R563 IonicContact OE1-NH1 3.31Å; E560-R563 PolarHBondContact OE1-NH1 2.89Å; E560-R563 IonicContact OE1-NH2 3.13Å; E560-R563 PolarHBondContact OE1-NH2 2.92Å; E560-R563 IonicContact OE2-NH1 3.78Å |
| 561 | Q | 49.7 | Very low | 55.5 | Low | 158 Ų | 158 | 132.9 Ų | 132.9 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -20.1 | -171.2 | -164.7 | 62.9 | 17.7 | 0 | 0 | 114 | ||
| 562 | K | 54.2 | Low | 56.2 | Low | 179 Ų | 179 | 130.1 Ų | 130.1 | 78% | 0.778 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -3.5 | 175.5 | -75.3 | -178.7 | 177.5 | 171.3 | 0 | 114.5 | E560 | E560-K562 PolarHBondContact O-N 3.23Š|
| 563 | R | 54.5 | Low | 56.8 | Low | 143 Ų | 143 | 126.6 Ų | 126.6 | 54% | 0.54 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | -35.5 | 177.4 | -148.4 | 176.1 | -56.8 | 119.8 | 10.1 | 112.7 | E560 S565 K566 | E560-R563 WeakPolarHBondContact O-CB 3.37Å; E560-R563 PolarHBondContact O-N 3.35Å; E560-R563 IonicContact OE1-CZ 3.87Å; E560-R563 IonicContact OE1-NH1 3.31Å; E560-R563 PolarHBondContact OE1-NH1 2.89Å; E560-R563 IonicContact OE1-NH2 3.13Å; E560-R563 PolarHBondContact OE1-NH2 2.92Å; E560-R563 IonicContact OE2-NH1 3.78Å; R563-S565 PolarHBondContact O-N 3.28Å; R563-K566 PolarHBondContact O-N 2.89Å |
| 564 | A | 53.1 | Low | 57.5 | Low | 60 Ų | 60 | 124 Ų | 124 | 50% | 0.496 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -56.1 | -42.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K566 E567 | A564-K566 PolarHBondContact O-N 3.35Å; A564-E567 WeakPolarHBondContact O-CB 3.44Å; A564-E567 PolarHBondContact O-N 2.78Å |
| 565 | S | 53.2 | Low | 58.5 | Low | 86 Ų | 86 | 121.2 Ų | 121.2 | 60% | 0.601 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -67.8 | 4.2 | -179.1 | 69 | 0 | 0 | 0 | 0 | 115.8 | R563 | R563-S565 PolarHBondContact O-N 3.28Š|
| 566 | K | 56.5 | Low | 59.2 | Low | 159 Ų | 159 | 118.7 Ų | 118.7 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -103.5 | -15 | 169.5 | -88.8 | -172.2 | 168.9 | -173.5 | 0 | 114 | R563 A564 | R563-K566 PolarHBondContact O-N 2.89Å; A564-K566 PolarHBondContact O-N 3.35Å |
| 567 | E | 53.6 | Low | 60.1 | Low | 134 Ų | 134 | 117.5 Ų | 117.5 | 63% | 0.626 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -70.1 | -51.5 | 177.8 | -142.1 | 76.7 | -163.6 | 0 | 0 | 109.9 | A564 S569 L570 Q571 | A564-E567 WeakPolarHBondContact O-CB 3.44Å; A564-E567 PolarHBondContact O-N 2.78Å; E567-S569 VanDerWaalsContact C-N 3.29Å; E567-S569 PolarHBondContact O-N 3.38Å; E567-L570 PolarHBondContact O-N 2.81Å; E567-Q571 PolarHBondContact O-N 3.5Å; E567-Q571 VanDerWaalsContact O-N 3.08Å |
| 568 | E | 56.8 | Low | 61 | Low | 135 Ų | 135 | 115.4 Ų | 115.4 | 63% | 0.631 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -56.8 | -39.2 | 179.3 | -70.5 | 178.4 | 126.4 | 0 | 0 | 112.8 | L570 Q571 I572 | E568-L570 VanDerWaalsContact C-N 3.25Å; E568-L570 PolarHBondContact O-N 2.88Å; E568-Q571 PolarHBondContact O-N 3.48Å; E568-I572 WeakPolarHBondContact O-CG1 3.47Å; E568-I572 PolarHBondContact O-N 3.35Å; E568-I572 VanDerWaalsContact O-N 3.1Å |
| 569 | S | 58.6 | Low | 61.8 | Low | 81 Ų | 81 | 113 Ų | 113 | 57% | 0.566 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.6 | -24.3 | 179.8 | -176.3 | 0 | 0 | 0 | 0 | 113.6 | E567 | E567-S569 VanDerWaalsContact C-N 3.29Å; E567-S569 PolarHBondContact O-N 3.38Å |
| 570 | L | 64.2 | Low | 62.7 | Low | 105 Ų | 105 | 116.2 Ų | 116.2 | 55% | 0.55 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -87.1 | -32.4 | 173.3 | -70.7 | 169.4 | 0 | 0 | 0 | 111 | E567 E568 Q573 V574 | E567-L570 PolarHBondContact O-N 2.81Å; E568-L570 VanDerWaalsContact C-N 3.25Å; E568-L570 PolarHBondContact O-N 2.88Å; L570-Q573 PolarHBondContact O-N 2.83Å; L570-V574 WeakPolarHBondContact O-CG2 3.49Å; L570-V574 PolarHBondContact O-N 2.97Å; L570-V574 VanDerWaalsContact O-N 3.15Å |
| 571 | Q | 61.7 | Low | 63.7 | Low | 141 Ų | 141 | 115.7 Ų | 115.7 | 66% | 0.659 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66 | -37.7 | 179.2 | -166.1 | 164.2 | -2.4 | 0 | 0 | 112.5 | E567 E568 V574 Q575 | E567-Q571 PolarHBondContact O-N 3.5Å; E567-Q571 VanDerWaalsContact O-N 3.08Å; E568-Q571 PolarHBondContact O-N 3.48Å; Q571-V574 PolarHBondContact O-N 2.79Å; Q571-Q575 PolarHBondContact O-N 3.38Å |
| 572 | I | 67.7 | Low | 65 | Low | 117 Ų | 117 | 115.1 Ų | 115.1 | 60% | 0.6 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.5 | -42.7 | 171.7 | -62.8 | 172.1 | 0 | 0 | 0 | 111 | E568 V574 Q575 D576 | E568-I572 WeakPolarHBondContact O-CG1 3.47Å; E568-I572 PolarHBondContact O-N 3.35Å; E568-I572 VanDerWaalsContact O-N 3.1Å; I572-V574 PolarHBondContact O-N 3.49Å; I572-Q575 WeakPolarHBondContact O-CB 3.23Å; I572-Q575 PolarHBondContact O-N 2.96Å; I572-D576 PolarHBondContact O-N 3.46Å |
| 573 | Q | 68.7 | Low | 65.9 | Low | 122 Ų | 122 | 109.5 Ų | 109.5 | 57% | 0.57 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -67.3 | -23 | -178.7 | -170.3 | 167.7 | 46.6 | 0 | 0 | 113.5 | L570 I577 | L570-Q573 PolarHBondContact O-N 2.83Å; Q573-I577 WeakPolarHBondContact O-CD1 3.47Å; Q573-I577 WeakPolarHBondContact O-CG1 3.35Å |
| 574 | V | 69.9 | Low | 66.9 | Low | 88 Ų | 88 | 106 Ų | 106 | 53% | 0.533 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -77.7 | -29.1 | 172.2 | 172.3 | 0 | 0 | 0 | 0 | 111.9 | L570 Q571 I572 L578 | L570-V574 WeakPolarHBondContact O-CG2 3.49Å; L570-V574 PolarHBondContact O-N 2.97Å; L570-V574 VanDerWaalsContact O-N 3.15Å; Q571-V574 PolarHBondContact O-N 2.79Å; I572-V574 PolarHBondContact O-N 3.49Å; V574-L578 HydrophobicContact CG1-CD1 4.41Å; V574-L578 WeakPolarHBondContact O-CG 3.36Å; V574-L578 PolarHBondContact O-N 2.88Å |
| 575 | Q | 73.6 | Confident | 68 | Low | 94 Ų | 94 | 109.8 Ų | 109.8 | 44% | 0.439 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.4 | -47.8 | 178.9 | -175.7 | 61.6 | 29.6 | 0 | 0 | 111.9 | Q571 I572 I577 L578 E579 | Q571-Q575 PolarHBondContact O-N 3.38Å; I572-Q575 WeakPolarHBondContact O-CB 3.23Å; I572-Q575 PolarHBondContact O-N 2.96Å; Q575-I577 PolarHBondContact O-N 2.95Å; Q575-L578 WeakPolarHBondContact O-CB 3.37Å; Q575-L578 PolarHBondContact O-N 3.27Å; Q575-E579 PolarHBondContact NE2-OE1 2.91Å; Q575-E579 PolarHBondContact O-N 3.19Å; Q575-E579 VanDerWaalsContact O-N 3.13Å |
| 576 | D | 71.3 | Confident | 69.1 | Low | 97 Ų | 97 | 108.6 Ų | 108.6 | 52% | 0.519 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -53.9 | -40.8 | 175.7 | -77.4 | 1.3 | 0 | 0 | 0 | 112 | I572 L578 E579 Q580 | I572-D576 PolarHBondContact O-N 3.46Å; D576-L578 VanDerWaalsContact C-N 3.32Å; D576-L578 PolarHBondContact O-N 2.79Å; D576-E579 PolarHBondContact O-N 2.9Å; D576-Q580 WeakPolarHBondContact O-CG 3.32Å; D576-Q580 PolarHBondContact O-N 3.39Å |
| 577 | I | 74.2 | Confident | 70 | Confident | 91 Ų | 91 | 103.2 Ų | 103.2 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.2 | -29.8 | -179.2 | -66.1 | 171.9 | 0 | 0 | 0 | 111.5 | Q573 Q575 N581 | Q573-I577 WeakPolarHBondContact O-CD1 3.47Å; Q573-I577 WeakPolarHBondContact O-CG1 3.35Å; Q575-I577 PolarHBondContact O-N 2.95Å; I577-N581 PolarHBondContact O-N 3.34Å; I577-N581 PolarHBondContact O-ND2 2.86Å |
| 578 | L | 73.6 | Confident | 70.9 | Confident | 100 Ų | 100 | 101.2 Ų | 101.2 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.8 | -41.7 | 174.3 | -72.2 | 168.2 | 0 | 0 | 0 | 111.6 | V574 Q575 D576 N581 E582 | V574-L578 HydrophobicContact CG1-CD1 4.41Å; V574-L578 WeakPolarHBondContact O-CG 3.36Å; V574-L578 PolarHBondContact O-N 2.88Å; Q575-L578 WeakPolarHBondContact O-CB 3.37Å; Q575-L578 PolarHBondContact O-N 3.27Å; D576-L578 VanDerWaalsContact C-N 3.32Å; D576-L578 PolarHBondContact O-N 2.79Å; L578-N581 WeakPolarHBondContact O-CB 3.49Å; L578-N581 PolarHBondContact O-N 2.81Å; L578-N581 VanDerWaalsContact O-N 3.13Å; L578-E582 PolarHBondContact O-N 3.29Å; L578-E582 VanDerWaalsContact O-N 3.08Å |
| 579 | E | 74.8 | Confident | 71.7 | Confident | 115 Ų | 115 | 101.1 Ų | 101.1 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 178.4 | -69.6 | 177.6 | -155.1 | 0 | 0 | 111.9 | Q575 D576 N581 E582 A583 | Q575-E579 PolarHBondContact NE2-OE1 2.91Å; Q575-E579 PolarHBondContact O-N 3.19Å; Q575-E579 VanDerWaalsContact O-N 3.13Å; D576-E579 PolarHBondContact O-N 2.9Å; E579-N581 VanDerWaalsContact C-N 3.29Å; E579-N581 PolarHBondContact O-N 3.18Å; E579-E582 PolarHBondContact O-N 2.92Å; E579-A583 PolarHBondContact O-N 2.79Å; E579-A583 VanDerWaalsContact O-N 3.08Å |
| 580 | Q | 73.6 | Confident | 72.4 | Confident | 127 Ų | 127 | 101.9 Ų | 101.9 | 59% | 0.593 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.3 | -35.1 | 169.6 | -73.8 | -178.4 | -10.5 | 0 | 0 | 112.9 | D576 A583 L584 | D576-Q580 WeakPolarHBondContact O-CG 3.32Å; D576-Q580 PolarHBondContact O-N 3.39Å; Q580-A583 PolarHBondContact O-N 2.92Å; Q580-L584 PolarHBondContact O-N 3.06Å; Q580-L584 VanDerWaalsContact O-N 3.1Å |
| 581 | N | 73.8 | Confident | 72.6 | Confident | 98 Ų | 98 | 100.7 Ų | 100.7 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.2 | -35.6 | 176.7 | -90.3 | -89.5 | 0 | 0 | 0 | 112.8 | I577 L578 E579 K585 | I577-N581 PolarHBondContact O-N 3.34Å; I577-N581 PolarHBondContact O-ND2 2.86Å; L578-N581 WeakPolarHBondContact O-CB 3.49Å; L578-N581 PolarHBondContact O-N 2.81Å; L578-N581 VanDerWaalsContact O-N 3.13Å; E579-N581 VanDerWaalsContact C-N 3.29Å; E579-N581 PolarHBondContact O-N 3.18Å; N581-K585 VanDerWaalsContact O-CB 3.26Å; N581-K585 WeakPolarHBondContact O-CB 3.45Å; N581-K585 PolarHBondContact O-N 2.99Å; N581-K585 VanDerWaalsContact O-N 3.07Å |
| 582 | E | 78.6 | Confident | 72.9 | Confident | 145 Ų | 145 | 99.9 Ų | 99.9 | 68% | 0.678 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.3 | -41.2 | 171.6 | -75.3 | -136.5 | 120.4 | 0 | 0 | 111.9 | L578 E579 L584 K585 A586 | L578-E582 PolarHBondContact O-N 3.29Å; L578-E582 VanDerWaalsContact O-N 3.08Å; E579-E582 PolarHBondContact O-N 2.92Å; E582-L584 PolarHBondContact O-N 3Å; E582-K585 PolarHBondContact O-N 2.92Å; E582-A586 PolarHBondContact O-N 3.4Å |
| 583 | A | 72.4 | Confident | 72.9 | Confident | 62 Ų | 62 | 97.9 Ų | 97.9 | 51% | 0.512 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E579 Q580 K585 A586 Q587 | E579-A583 PolarHBondContact O-N 2.79Å; E579-A583 VanDerWaalsContact O-N 3.08Å; Q580-A583 PolarHBondContact O-N 2.92Å; A583-K585 VanDerWaalsContact C-N 3.32Å; A583-K585 PolarHBondContact O-N 2.74Å; A583-A586 PolarHBondContact O-N 3.4Å; A583-Q587 WeakPolarHBondContact O-CB 3.38Å; A583-Q587 PolarHBondContact O-N 3.22Å |
| 584 | L | 75 | Confident | 72.6 | Confident | 69 Ų | 69 | 93.8 Ų | 93.8 | 36% | 0.361 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -37.3 | 174.7 | -91.5 | 160.9 | 0 | 0 | 0 | 112.6 | Q580 E582 Q587 I588 | Q580-L584 PolarHBondContact O-N 3.06Å; Q580-L584 VanDerWaalsContact O-N 3.1Å; E582-L584 PolarHBondContact O-N 3Å; L584-Q587 WeakPolarHBondContact O-CB 3.38Å; L584-Q587 PolarHBondContact O-N 3.41Å; L584-I588 VanDerWaalsContact O-CG1 3.3Å; L584-I588 WeakPolarHBondContact O-CG1 3.27Å; L584-I588 PolarHBondContact O-N 3.38Å |
| 585 | K | 77.5 | Confident | 72.3 | Confident | 140 Ų | 140 | 95.2 Ų | 95.2 | 61% | 0.609 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.6 | -41.3 | 178.6 | -168.9 | 178.2 | 179.8 | -172.3 | 0 | 112.1 | N581 E582 A583 I588 Q589 | N581-K585 VanDerWaalsContact O-CB 3.26Å; N581-K585 WeakPolarHBondContact O-CB 3.45Å; N581-K585 PolarHBondContact O-N 2.99Å; N581-K585 VanDerWaalsContact O-N 3.07Å; E582-K585 PolarHBondContact O-N 2.92Å; A583-K585 VanDerWaalsContact C-N 3.32Å; A583-K585 PolarHBondContact O-N 2.74Å; K585-I588 PolarHBondContact O-N 2.85Å; K585-Q589 WeakPolarHBondContact O-CB 3.35Å; K585-Q589 PolarHBondContact O-N 2.86Å |
| 586 | A | 74.2 | Confident | 71.5 | Confident | 61 Ų | 61 | 94.2 Ų | 94.2 | 50% | 0.504 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E582 A583 Q589 Q590 | E582-A586 PolarHBondContact O-N 3.4Å; A583-A586 PolarHBondContact O-N 3.4Å; A586-Q589 PolarHBondContact O-N 3.42Å; A586-Q590 PolarHBondContact O-N 2.91Å |
| 587 | Q | 76.3 | Confident | 70.8 | Confident | 45 Ų | 45 | 93.8 Ų | 93.8 | 21% | 0.21 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 175.8 | -170.5 | -169.4 | 99.1 | 0 | 0 | 112 | H79 A583 L584 Q589 Q590 F591 | H79-Q587 VanDerWaalsContact CD2-CD 3.42Å; H79-Q587 PolarHBondContact CD2-OE1 3.48Å; H79-Q587 PolarHBondContact NE2-OE1 3.14Å; A583-Q587 WeakPolarHBondContact O-CB 3.38Å; A583-Q587 PolarHBondContact O-N 3.22Å; L584-Q587 WeakPolarHBondContact O-CB 3.38Å; L584-Q587 PolarHBondContact O-N 3.41Å; Q587-Q589 VanDerWaalsContact C-N 3.3Å; Q587-Q589 PolarHBondContact O-N 2.97Å; Q587-Q590 WeakPolarHBondContact O-CB 3.19Å; Q587-Q590 PolarHBondContact O-N 3.19Å; Q587-F591 HydrophobicContact CG-CD2 4.39Å; Q587-F591 HydrophobicContact CG-CE2 3.98Å; Q587-F591 VanDerWaalsContact O-CD2 3.27Å; Q587-F591 WeakPolarHBondContact O-CD2 3.36Å; Q587-F591 PolarHBondContact O-N 3.44Å |
| 588 | I | 73.1 | Confident | 69.5 | Low | 92 Ų | 92 | 96.4 Ų | 96.4 | 47% | 0.472 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -40 | 173.8 | -70.7 | 165.2 | 0 | 0 | 0 | 111.3 | L584 K585 F591 H592 | L584-I588 VanDerWaalsContact O-CG1 3.3Å; L584-I588 WeakPolarHBondContact O-CG1 3.27Å; L584-I588 PolarHBondContact O-N 3.38Å; K585-I588 PolarHBondContact O-N 2.85Å; I588-F591 PolarHBondContact O-N 2.8Å; I588-H592 PolarHBondContact O-N 2.85Å; I588-H592 VanDerWaalsContact O-N 3.1Å; I588-H592 PolarHBondContact O-ND1 3.35Å |
| 589 | Q | 73.6 | Confident | 68.4 | Low | 133 Ų | 133 | 96 Ų | 96 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.5 | -38.8 | 177.5 | -167.3 | 167.6 | -7.5 | 0 | 0 | 111.8 | K585 A586 Q587 F591 H592 S593 | K585-Q589 WeakPolarHBondContact O-CB 3.35Å; K585-Q589 PolarHBondContact O-N 2.86Å; A586-Q589 PolarHBondContact O-N 3.42Å; Q587-Q589 VanDerWaalsContact C-N 3.3Å; Q587-Q589 PolarHBondContact O-N 2.97Å; Q589-F591 PolarHBondContact O-N 3.03Å; Q589-H592 PolarHBondContact O-N 3.41Å; Q589-S593 PolarHBondContact O-N 2.95Å; Q589-S593 PolarHBondContact O-OG 2.82Å |
| 590 | Q | 72.9 | Confident | 67.4 | Low | 98 Ų | 98 | 95.3 Ų | 95.3 | 46% | 0.458 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 174 | -166.2 | -175.7 | 21.8 | 0 | 0 | 112 | A586 Q587 S593 Q594 | A586-Q590 PolarHBondContact O-N 2.91Å; Q587-Q590 WeakPolarHBondContact O-CB 3.19Å; Q587-Q590 PolarHBondContact O-N 3.19Å; Q590-S593 PolarHBondContact O-N 2.85Å; Q590-Q594 WeakPolarHBondContact O-CG 3.18Å; Q590-Q594 PolarHBondContact O-N 2.98Å |
| 591 | F | 68.7 | Low | 66.4 | Low | 79 Ų | 79 | 91.9 Ų | 91.9 | 35% | 0.346 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 174.7 | -75.9 | -59.6 | 0 | 0 | 0 | 112.9 | H79 Q587 I588 Q589 S593 Q594 I595 | H79-F591 AromaticContact NE2-CE2 3.36Å; H79-F591 WeakPolarHBondContact NE2-CE2 3.21Å; H79-F591 AromaticContact NE2-CZ 3.44Å; H79-F591 WeakPolarHBondContact NE2-CZ 3.46Å; Q587-F591 HydrophobicContact CG-CD2 4.39Å; Q587-F591 HydrophobicContact CG-CE2 3.98Å; Q587-F591 VanDerWaalsContact O-CD2 3.27Å; Q587-F591 WeakPolarHBondContact O-CD2 3.36Å; Q587-F591 PolarHBondContact O-N 3.44Å; I588-F591 PolarHBondContact O-N 2.8Å; Q589-F591 PolarHBondContact O-N 3.03Å; F591-S593 VanDerWaalsContact C-N 3.34Å; F591-S593 PolarHBondContact O-N 3.33Å; F591-Q594 PolarHBondContact O-N 2.98Å; F591-I595 WeakPolarHBondContact O-CG1 3.27Å; F591-I595 PolarHBondContact O-N 3.49Å |
| 592 | H | 67.9 | Low | 65.6 | Low | 124 Ų | 124 | 91.2 Ų | 91.2 | 57% | 0.574 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.3 | -42.3 | 173.8 | -78.6 | 81.4 | 0 | 0 | 0 | 111.8 | I588 Q589 Q594 I595 A596 | I588-H592 PolarHBondContact O-N 2.85Å; I588-H592 VanDerWaalsContact O-N 3.1Å; I588-H592 PolarHBondContact O-ND1 3.35Å; Q589-H592 PolarHBondContact O-N 3.41Å; H592-Q594 VanDerWaalsContact C-N 3.34Å; H592-Q594 PolarHBondContact O-N 2.95Å; H592-I595 PolarHBondContact O-N 3.17Å; H592-A596 WeakPolarHBondContact O-CB 3.43Å; H592-A596 PolarHBondContact O-N 2.89Å |
| 593 | S | 67.4 | Low | 64.7 | Low | 76 Ų | 76 | 88.6 Ų | 88.6 | 53% | 0.531 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -34.9 | 174.1 | -63.9 | 0 | 0 | 0 | 0 | 113.1 | Q589 Q590 F591 A597 | Q589-S593 PolarHBondContact O-N 2.95Å; Q589-S593 PolarHBondContact O-OG 2.82Å; Q590-S593 PolarHBondContact O-N 2.85Å; F591-S593 VanDerWaalsContact C-N 3.34Å; F591-S593 PolarHBondContact O-N 3.33Å; S593-A597 VanDerWaalsContact O-CB 3.31Å; S593-A597 WeakPolarHBondContact O-CB 3.27Å; S593-A597 PolarHBondContact O-N 3.4Å |
| 594 | Q | 63.1 | Low | 64.1 | Low | 36 Ų | 36 | 91 Ų | 91 | 17% | 0.168 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 174.3 | -72.8 | 177.5 | 17 | 0 | 0 | 112.2 | R82 Q590 F591 H592 A597 Q598 | R82-Q594 VanDerWaalsContact CZ-CD 3.43Å; R82-Q594 VanDerWaalsContact CZ-OE1 3.27Å; Q590-Q594 WeakPolarHBondContact O-CG 3.18Å; Q590-Q594 PolarHBondContact O-N 2.98Å; F591-Q594 PolarHBondContact O-N 2.98Å; H592-Q594 VanDerWaalsContact C-N 3.34Å; H592-Q594 PolarHBondContact O-N 2.95Å; Q594-A597 PolarHBondContact O-N 2.84Å; Q594-Q598 WeakPolarHBondContact O-CB 3.36Å; Q594-Q598 PolarHBondContact O-N 2.88Å; Q594-Q598 VanDerWaalsContact O-N 3.09Å |
| 595 | I | 62.6 | Low | 63.5 | Low | 118 Ų | 118 | 89.5 Ų | 89.5 | 61% | 0.605 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64 | -43.4 | 176.3 | -68 | 165.4 | 0 | 0 | 0 | 110.4 | F591 H592 A597 Q598 | F591-I595 WeakPolarHBondContact O-CG1 3.27Å; F591-I595 PolarHBondContact O-N 3.49Å; H592-I595 PolarHBondContact O-N 3.17Å; I595-A597 VanDerWaalsContact C-N 3.26Å; I595-A597 PolarHBondContact O-N 2.82Å; I595-Q598 PolarHBondContact O-N 3.43Å |
| 596 | A | 56.4 | Low | 63 | Low | 72 Ų | 72 | 89 Ų | 89 | 60% | 0.595 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.7 | -23.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | H592 T599 | H592-A596 WeakPolarHBondContact O-CB 3.43Å; H592-A596 PolarHBondContact O-N 2.89Å; A596-T599 PolarHBondContact O-OG1 3.45Å |
| 597 | A | 57.1 | Low | 62.8 | Low | 89 Ų | 89 | 91.8 Ų | 91.8 | 74% | 0.736 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -92.7 | -7.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S593 Q594 I595 | S593-A597 VanDerWaalsContact O-CB 3.31Å; S593-A597 WeakPolarHBondContact O-CB 3.27Å; S593-A597 PolarHBondContact O-N 3.4Å; Q594-A597 PolarHBondContact O-N 2.84Å; I595-A597 VanDerWaalsContact C-N 3.26Å; I595-A597 PolarHBondContact O-N 2.82Å |
| 598 | Q | 47.8 | Very low | 62.7 | Low | 145 Ų | 145 | 94.3 Ų | 94.3 | 68% | 0.678 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -111.9 | 12.5 | -177.8 | -163 | 165.4 | -16.9 | 0 | 0 | 112.9 | Q594 I595 S600 | Q594-Q598 WeakPolarHBondContact O-CB 3.36Å; Q594-Q598 PolarHBondContact O-N 2.88Å; Q594-Q598 VanDerWaalsContact O-N 3.09Å; I595-Q598 PolarHBondContact O-N 3.43Å; Q598-S600 PolarHBondContact O-N 2.87Å |
| 599 | T | 50.2 | Low | 62.8 | Low | 92 Ų | 92 | 96.3 Ų | 96.3 | 56% | 0.564 | 54% | 0.541 | S | S | * | . | trans | -79.8 | 79.6 | 173.8 | 36.6 | 0 | 0 | 0 | 0 | 112.2 | A596 A601 | A596-T599 PolarHBondContact O-OG1 3.45Å; T599-A601 PolarHBondContact O-N 3.46Å | ||
| 600 | S | 52.6 | Low | 63 | Low | 100 Ų | 100 | 97.7 Ų | 97.7 | 70% | 0.699 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 24.7 | 162.3 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | Q598 | Q598-S600 PolarHBondContact O-N 2.87Š|
| 601 | A | 54.2 | Low | 63.1 | Low | 56 Ų | 56 | 97.3 Ų | 97.3 | 46% | 0.463 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -76.8 | -27.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T599 A605 | T599-A601 PolarHBondContact O-N 3.46Å; A601-A605 WeakPolarHBondContact O-CB 3.44Å; A601-A605 PolarHBondContact O-N 3.33Å |
| 602 | S | 56 | Low | 63.6 | Low | 83 Ų | 83 | 97.5 Ų | 97.5 | 58% | 0.58 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.9 | -51.1 | -178.9 | -160.4 | 0 | 0 | 0 | 0 | 111.8 | A605 E606 | S602-A605 PolarHBondContact O-N 3.4Å; S602-E606 WeakPolarHBondContact O-CG 3.49Å; S602-E606 PolarHBondContact O-N 2.79Å |
| 603 | V | 60.3 | Low | 64.2 | Low | 90 Ų | 90 | 94.3 Ų | 94.3 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | -179.7 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | A605 E606 E607 | V603-A605 VanDerWaalsContact C-N 3.29Å; V603-A605 PolarHBondContact O-N 2.78Å; V603-E606 PolarHBondContact O-N 3.26Å; V603-E607 PolarHBondContact O-N 2.79Å |
| 604 | L | 59.8 | Low | 64.7 | Low | 112 Ų | 112 | 94.6 Ų | 94.6 | 59% | 0.586 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.2 | -34.6 | 177.9 | -158.6 | 78.8 | 0 | 0 | 0 | 112 | L608 | L604-L608 VanDerWaalsContact O-CB 3.27Å; L604-L608 WeakPolarHBondContact O-CB 3.44Å; L604-L608 WeakPolarHBondContact O-CG 3.24Å; L604-L608 PolarHBondContact O-N 3.27Å |
| 605 | A | 61.5 | Low | 65.5 | Low | 39 Ų | 39 | 98.4 Ų | 98.4 | 32% | 0.322 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -73.1 | -36.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A601 S602 V603 H609 | A601-A605 WeakPolarHBondContact O-CB 3.44Å; A601-A605 PolarHBondContact O-N 3.33Å; S602-A605 PolarHBondContact O-N 3.4Å; V603-A605 VanDerWaalsContact C-N 3.29Å; V603-A605 PolarHBondContact O-N 2.78Å; A605-H609 WeakPolarHBondContact O-CB 3.43Å; A605-H609 PolarHBondContact O-N 3.06Å; A605-H609 PolarHBondContact O-ND1 3.04Å |
| 606 | E | 68.3 | Low | 66.3 | Low | 128 Ų | 128 | 97.2 Ų | 97.2 | 60% | 0.598 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.7 | -42.1 | 173.9 | -74.5 | 177.7 | 144.3 | 0 | 0 | 111.5 | S602 V603 H609 K610 | S602-E606 WeakPolarHBondContact O-CG 3.49Å; S602-E606 PolarHBondContact O-N 2.79Å; V603-E606 PolarHBondContact O-N 3.26Å; E606-H609 PolarHBondContact O-N 2.92Å; E606-K610 VanDerWaalsContact O-CB 3.28Å; E606-K610 WeakPolarHBondContact O-CB 3.47Å; E606-K610 PolarHBondContact O-N 3.2Å |
| 607 | E | 68.9 | Low | 67.7 | Low | 121 Ų | 121 | 99.2 Ų | 99.2 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.2 | -35.8 | 174.7 | -75.8 | -178.2 | 131.6 | 0 | 0 | 112.4 | V603 K610 V611 | V603-E607 PolarHBondContact O-N 2.79Å; E607-K610 PolarHBondContact O-N 3.23Å; E607-V611 WeakPolarHBondContact O-CB 3.33Å; E607-V611 VanDerWaalsContact O-CG2 3.32Å; E607-V611 WeakPolarHBondContact O-CG2 3.47Å; E607-V611 PolarHBondContact O-N 2.88Å |
| 608 | L | 73.6 | Confident | 68.6 | Low | 98 Ų | 98 | 98.5 Ų | 98.5 | 51% | 0.513 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 170.1 | -85 | 165.9 | 0 | 0 | 0 | 112.2 | L604 K610 V611 I612 | L604-L608 VanDerWaalsContact O-CB 3.27Å; L604-L608 WeakPolarHBondContact O-CB 3.44Å; L604-L608 WeakPolarHBondContact O-CG 3.24Å; L604-L608 PolarHBondContact O-N 3.27Å; L608-K610 PolarHBondContact O-N 2.85Å; L608-V611 PolarHBondContact O-N 2.83Å; L608-I612 WeakPolarHBondContact O-CB 3.47Å; L608-I612 WeakPolarHBondContact O-CD1 3.44Å; L608-I612 WeakPolarHBondContact O-CG1 3.29Å; L608-I612 PolarHBondContact O-N 3.24Å |
| 609 | H | 75.1 | Confident | 70.1 | Confident | 134 Ų | 134 | 96.1 Ų | 96.1 | 62% | 0.62 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -34.6 | 176 | -75.8 | 109.5 | 0 | 0 | 0 | 112.2 | A605 E606 A613 | A605-H609 WeakPolarHBondContact O-CB 3.43Å; A605-H609 PolarHBondContact O-N 3.06Å; A605-H609 PolarHBondContact O-ND1 3.04Å; E606-H609 PolarHBondContact O-N 2.92Å; H609-A613 VanDerWaalsContact O-CB 3.31Å; H609-A613 WeakPolarHBondContact O-CB 3.33Å; H609-A613 PolarHBondContact O-N 2.81Å |
| 610 | K | 79.1 | Confident | 71.8 | Confident | 161 Ų | 161 | 97.6 Ų | 97.6 | 70% | 0.7 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72 | -37.3 | 177.3 | -164.8 | 174.2 | -173.9 | 178 | 0 | 112.7 | E606 E607 L608 E614 | E606-K610 VanDerWaalsContact O-CB 3.28Å; E606-K610 WeakPolarHBondContact O-CB 3.47Å; E606-K610 PolarHBondContact O-N 3.2Å; E607-K610 PolarHBondContact O-N 3.23Å; L608-K610 PolarHBondContact O-N 2.85Å; K610-E614 PolarHBondContact O-N 2.93Å; K610-E614 VanDerWaalsContact O-N 3.12Å |
| 611 | V | 75.5 | Confident | 73.1 | Confident | 90 Ų | 90 | 98.7 Ų | 98.7 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69 | -40.2 | 172.1 | 169 | 0 | 0 | 0 | 0 | 111.1 | E607 L608 K615 | E607-V611 WeakPolarHBondContact O-CB 3.33Å; E607-V611 VanDerWaalsContact O-CG2 3.32Å; E607-V611 WeakPolarHBondContact O-CG2 3.47Å; E607-V611 PolarHBondContact O-N 2.88Å; L608-V611 PolarHBondContact O-N 2.83Å; V611-K615 HydrophobicContact CG1-CG 4.45Å; V611-K615 VanDerWaalsContact O-CB 3.3Å; V611-K615 WeakPolarHBondContact O-CB 3.35Å; V611-K615 VanDerWaalsContact O-CG 3.27Å; V611-K615 WeakPolarHBondContact O-CG 3.4Å; V611-K615 PolarHBondContact O-N 3.2Å |
| 612 | I | 77.2 | Confident | 74.2 | Confident | 84 Ų | 84 | 100.2 Ų | 100.2 | 43% | 0.431 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -51.8 | 174.1 | -70.1 | 162.9 | 0 | 0 | 0 | 109.8 | L608 E614 K615 D616 | L608-I612 WeakPolarHBondContact O-CB 3.47Å; L608-I612 WeakPolarHBondContact O-CD1 3.44Å; L608-I612 WeakPolarHBondContact O-CG1 3.29Å; L608-I612 PolarHBondContact O-N 3.24Å; I612-E614 VanDerWaalsContact C-N 3.34Å; I612-E614 PolarHBondContact O-N 3.34Å; I612-K615 CarbonylContact O-C 3.51Å; I612-K615 WeakPolarHBondContact O-CA 3.49Å; I612-K615 WeakPolarHBondContact O-CB 3.49Å; I612-K615 PolarHBondContact O-N 2.9Å; I612-D616 WeakPolarHBondContact CG2-OD2 3.43Å; I612-D616 VanDerWaalsContact O-CG 3.26Å; I612-D616 PolarHBondContact O-N 3.31Å |
| 613 | A | 81.5 | Confident | 75.4 | Confident | 57 Ų | 57 | 101.7 Ų | 101.7 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -37 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H609 K617 | H609-A613 VanDerWaalsContact O-CB 3.31Å; H609-A613 WeakPolarHBondContact O-CB 3.33Å; H609-A613 PolarHBondContact O-N 2.81Å; A613-K617 VanDerWaalsContact O-CB 3.27Å; A613-K617 WeakPolarHBondContact O-CB 3.24Å; A613-K617 PolarHBondContact O-N 2.87Å |
| 614 | E | 77.6 | Confident | 76.5 | Confident | 81 Ų | 81 | 101.6 Ų | 101.6 | 38% | 0.379 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -73.7 | -28.2 | 173.3 | -177.8 | 57.4 | -149.1 | 0 | 0 | 111.9 | K610 I612 K617 Q618 | K610-E614 PolarHBondContact O-N 2.93Å; K610-E614 VanDerWaalsContact O-N 3.12Å; I612-E614 VanDerWaalsContact C-N 3.34Å; I612-E614 PolarHBondContact O-N 3.34Å; E614-K617 IonicContact OE1-NZ 3.48Å; E614-K617 PolarHBondContact OE1-NZ 2.77Å; E614-K617 IonicContact OE2-NZ 3.23Å; E614-K617 PolarHBondContact OE2-NZ 3.47Å; E614-Q618 WeakPolarHBondContact O-CB 3.33Å; E614-Q618 VanDerWaalsContact O-CG 3.26Å; E614-Q618 WeakPolarHBondContact O-CG 3.3Å; E614-Q618 PolarHBondContact O-N 3.11Å; E614-Q618 PolarHBondContact OE1-NE2 3.45Å |
| 615 | K | 79.8 | Confident | 77.5 | Confident | 117 Ų | 117 | 99.4 Ų | 99.4 | 51% | 0.509 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74.2 | -40.9 | 172.6 | -79.1 | -73.5 | 162 | -154.7 | 0 | 113 | V611 I612 K617 Q618 L619 | V611-K615 HydrophobicContact CG1-CG 4.45Å; V611-K615 VanDerWaalsContact O-CB 3.3Å; V611-K615 WeakPolarHBondContact O-CB 3.35Å; V611-K615 VanDerWaalsContact O-CG 3.27Å; V611-K615 WeakPolarHBondContact O-CG 3.4Å; V611-K615 PolarHBondContact O-N 3.2Å; I612-K615 CarbonylContact O-C 3.51Å; I612-K615 WeakPolarHBondContact O-CA 3.49Å; I612-K615 WeakPolarHBondContact O-CB 3.49Å; I612-K615 PolarHBondContact O-N 2.9Å; K615-K617 VanDerWaalsContact C-N 3.3Å; K615-K617 PolarHBondContact O-N 3.45Å; K615-Q618 PolarHBondContact O-N 3.03Å; K615-L619 WeakPolarHBondContact O-CB 3.36Å; K615-L619 PolarHBondContact O-N 3.27Å |
| 616 | D | 79.4 | Confident | 78.5 | Confident | 93 Ų | 93 | 102.2 Ų | 102.2 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 173.5 | -64.2 | -21.2 | 0 | 0 | 0 | 110.6 | I612 L619 K620 | I612-D616 WeakPolarHBondContact CG2-OD2 3.43Å; I612-D616 VanDerWaalsContact O-CG 3.26Å; I612-D616 PolarHBondContact O-N 3.31Å; D616-L619 PolarHBondContact O-N 2.87Å; D616-K620 WeakPolarHBondContact O-CB 3.47Å; D616-K620 PolarHBondContact O-N 3.24Å |
| 617 | K | 85.6 | Confident | 79.3 | Confident | 114 Ų | 114 | 98.1 Ų | 98.1 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 172.4 | 177.3 | 179.2 | 150.6 | -132.6 | 0 | 112.4 | A613 E614 K615 Q621 | A613-K617 VanDerWaalsContact O-CB 3.27Å; A613-K617 WeakPolarHBondContact O-CB 3.24Å; A613-K617 PolarHBondContact O-N 2.87Å; E614-K617 IonicContact OE1-NZ 3.48Å; E614-K617 PolarHBondContact OE1-NZ 2.77Å; E614-K617 IonicContact OE2-NZ 3.23Å; E614-K617 PolarHBondContact OE2-NZ 3.47Å; K615-K617 VanDerWaalsContact C-N 3.3Å; K615-K617 PolarHBondContact O-N 3.45Å; K617-Q621 VanDerWaalsContact O-CB 3.32Å; K617-Q621 WeakPolarHBondContact O-CB 3.33Å; K617-Q621 PolarHBondContact O-N 3.36Å |
| 618 | Q | 76.6 | Confident | 79.9 | Confident | 73 Ų | 73 | 97.8 Ų | 97.8 | 34% | 0.341 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.1 | -41.6 | 174.1 | -75.6 | 168.2 | 20.3 | 0 | 0 | 111.8 | E614 K615 Q621 T622 | E614-Q618 WeakPolarHBondContact O-CB 3.33Å; E614-Q618 VanDerWaalsContact O-CG 3.26Å; E614-Q618 WeakPolarHBondContact O-CG 3.3Å; E614-Q618 PolarHBondContact O-N 3.11Å; E614-Q618 PolarHBondContact OE1-NE2 3.45Å; K615-Q618 PolarHBondContact O-N 3.03Å; Q618-Q621 PolarHBondContact O-N 3.3Å; Q618-T622 PolarHBondContact O-N 3.18Å; Q618-T622 PolarHBondContact O-OG1 3.06Å |
| 619 | L | 79.5 | Confident | 80.1 | Confident | 95 Ų | 95 | 98.8 Ų | 98.8 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -56.7 | -54.4 | 173.3 | -110.5 | 168.6 | 0 | 0 | 0 | 110.1 | K615 D616 Q621 T622 E623 | K615-L619 WeakPolarHBondContact O-CB 3.36Å; K615-L619 PolarHBondContact O-N 3.27Å; D616-L619 PolarHBondContact O-N 2.87Å; L619-Q621 VanDerWaalsContact C-N 3.31Å; L619-Q621 PolarHBondContact O-N 2.83Å; L619-T622 WeakPolarHBondContact CA-OG1 3.19Å; L619-T622 CarbonylContact O-C 3.58Å; L619-T622 WeakPolarHBondContact O-CA 3.43Å; L619-T622 PolarHBondContact O-N 3.21Å; L619-T622 PolarHBondContact O-OG1 2.77Å; L619-E623 WeakPolarHBondContact O-CG 3.29Å; L619-E623 PolarHBondContact O-N 3.04Å |
| 620 | K | 86.1 | Confident | 80.3 | Confident | 123 Ų | 123 | 97.9 Ų | 97.9 | 54% | 0.535 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.1 | -41 | 178.3 | -176.1 | 156.6 | -173.1 | 159.4 | 0 | 112.6 | D616 T622 E623 D624 | D616-K620 WeakPolarHBondContact O-CB 3.47Å; D616-K620 PolarHBondContact O-N 3.24Å; K620-T622 VanDerWaalsContact C-N 3.26Å; K620-T622 PolarHBondContact O-N 3.35Å; K620-E623 PolarHBondContact O-N 3.48Å; K620-E623 VanDerWaalsContact O-N 3.13Å; K620-D624 WeakPolarHBondContact O-CB 3.37Å; K620-D624 PolarHBondContact O-N 3.45Å |
| 621 | Q | 80.3 | Confident | 80.5 | Confident | 124 Ų | 124 | 95.5 Ų | 95.5 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.1 | -28.8 | 176 | -163.7 | 169 | 13.8 | 0 | 0 | 112.5 | K617 Q618 L619 S625 | K617-Q621 VanDerWaalsContact O-CB 3.32Å; K617-Q621 WeakPolarHBondContact O-CB 3.33Å; K617-Q621 PolarHBondContact O-N 3.36Å; Q618-Q621 PolarHBondContact O-N 3.3Å; L619-Q621 VanDerWaalsContact C-N 3.31Å; L619-Q621 PolarHBondContact O-N 2.83Å; Q621-S625 WeakPolarHBondContact O-CB 3.36Å; Q621-S625 PolarHBondContact O-N 3.24Å; Q621-S625 PolarHBondContact O-OG 2.95Å |
| 622 | T | 76.7 | Confident | 80.7 | Confident | 87 Ų | 87 | 95.8 Ų | 95.8 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -78.8 | -30.7 | 169 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | Q618 L619 K620 S625 L626 | Q618-T622 PolarHBondContact O-N 3.18Å; Q618-T622 PolarHBondContact O-OG1 3.06Å; L619-T622 WeakPolarHBondContact CA-OG1 3.19Å; L619-T622 CarbonylContact O-C 3.58Å; L619-T622 WeakPolarHBondContact O-CA 3.43Å; L619-T622 PolarHBondContact O-N 3.21Å; L619-T622 PolarHBondContact O-OG1 2.77Å; K620-T622 VanDerWaalsContact C-N 3.26Å; K620-T622 PolarHBondContact O-N 3.35Å; T622-S625 PolarHBondContact O-N 2.82Å; T622-L626 VanDerWaalsContact O-CB 3.24Å; T622-L626 WeakPolarHBondContact O-CB 3.31Å; T622-L626 PolarHBondContact O-N 3.45Å |
| 623 | E | 80.6 | Confident | 80.7 | Confident | 115 Ų | 115 | 95.4 Ų | 95.4 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.4 | -47.2 | 172.9 | -70 | 172.9 | 151.7 | 0 | 0 | 110.9 | L619 K620 S625 L626 A627 | L619-E623 WeakPolarHBondContact O-CG 3.29Å; L619-E623 PolarHBondContact O-N 3.04Å; K620-E623 PolarHBondContact O-N 3.48Å; K620-E623 VanDerWaalsContact O-N 3.13Å; E623-S625 VanDerWaalsContact C-N 3.26Å; E623-S625 PolarHBondContact O-N 3.12Å; E623-L626 CarbonylContact O-C 3.55Å; E623-L626 PolarHBondContact O-N 2.91Å; E623-L626 VanDerWaalsContact O-N 3.13Å; E623-A627 WeakPolarHBondContact O-CB 3.37Å; E623-A627 PolarHBondContact O-N 2.75Å |
| 624 | D | 83.5 | Confident | 80.7 | Confident | 88 Ų | 88 | 95.1 Ų | 95.1 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61 | -35.3 | 174.5 | -64.3 | -27.1 | 0 | 0 | 0 | 111.1 | K620 N628 | K620-D624 WeakPolarHBondContact O-CB 3.37Å; K620-D624 PolarHBondContact O-N 3.45Å; D624-N628 PolarHBondContact O-N 2.73Å; D624-N628 PolarHBondContact O-ND2 2.87Å |
| 625 | S | 81.3 | Confident | 81.1 | Confident | 65 Ų | 65 | 93.9 Ų | 93.9 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72 | -38.6 | 173.8 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | Q621 T622 E623 N628 E629 | Q621-S625 WeakPolarHBondContact O-CB 3.36Å; Q621-S625 PolarHBondContact O-N 3.24Å; Q621-S625 PolarHBondContact O-OG 2.95Å; T622-S625 PolarHBondContact O-N 2.82Å; E623-S625 VanDerWaalsContact C-N 3.26Å; E623-S625 PolarHBondContact O-N 3.12Å; S625-N628 PolarHBondContact O-N 3.31Å; S625-E629 PolarHBondContact O-N 2.95Å |
| 626 | L | 83.1 | Confident | 81.1 | Confident | 99 Ų | 99 | 93 Ų | 93 | 52% | 0.518 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.6 | -32.6 | 176.9 | -177 | 62.4 | 0 | 0 | 0 | 111.7 | T622 E623 E629 Q630 | T622-L626 VanDerWaalsContact O-CB 3.24Å; T622-L626 WeakPolarHBondContact O-CB 3.31Å; T622-L626 PolarHBondContact O-N 3.45Å; E623-L626 CarbonylContact O-C 3.55Å; E623-L626 PolarHBondContact O-N 2.91Å; E623-L626 VanDerWaalsContact O-N 3.13Å; L626-E629 PolarHBondContact O-N 3.29Å; L626-Q630 WeakPolarHBondContact O-CB 3.29Å; L626-Q630 VanDerWaalsContact O-CG 3.31Å; L626-Q630 WeakPolarHBondContact O-CG 3.47Å; L626-Q630 PolarHBondContact O-N 2.86Å |
| 627 | A | 83.4 | Confident | 81.1 | Confident | 41 Ų | 41 | 95.4 Ų | 95.4 | 34% | 0.339 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | E623 E629 Q630 D631 | E623-A627 WeakPolarHBondContact O-CB 3.37Å; E623-A627 PolarHBondContact O-N 2.75Å; A627-E629 VanDerWaalsContact C-N 3.31Å; A627-E629 PolarHBondContact O-N 3.41Å; A627-Q630 CarbonylContact O-C 3.6Å; A627-Q630 WeakPolarHBondContact O-CA 3.35Å; A627-Q630 WeakPolarHBondContact O-CB 3.38Å; A627-Q630 PolarHBondContact O-N 2.78Å; A627-D631 PolarHBondContact O-N 3.2Å |
| 628 | N | 82.4 | Confident | 81 | Confident | 115 Ų | 115 | 96.4 Ų | 96.4 | 62% | 0.615 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -59.7 | -38.3 | 173.1 | -80.6 | -34.9 | 0 | 0 | 0 | 112.9 | D624 S625 H632 | D624-N628 PolarHBondContact O-N 2.73Å; D624-N628 PolarHBondContact O-ND2 2.87Å; S625-N628 PolarHBondContact O-N 3.31Å; N628-H632 WeakPolarHBondContact O-CB 3.17Å; N628-H632 PolarHBondContact O-N 3.49Å |
| 629 | E | 77.9 | Confident | 81.3 | Confident | 118 Ų | 118 | 98.7 Ų | 98.7 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.7 | -36.8 | 172.7 | -78.6 | -78.5 | 135.5 | 0 | 0 | 112 | S625 L626 A627 H632 L633 | S625-E629 PolarHBondContact O-N 2.95Å; L626-E629 PolarHBondContact O-N 3.29Å; A627-E629 VanDerWaalsContact C-N 3.31Å; A627-E629 PolarHBondContact O-N 3.41Å; E629-H632 PolarHBondContact O-N 2.85Å; E629-L633 WeakPolarHBondContact O-CB 3.39Å; E629-L633 VanDerWaalsContact O-CG 3.23Å; E629-L633 WeakPolarHBondContact O-CG 3.25Å; E629-L633 PolarHBondContact O-N 3.19Å |
| 630 | Q | 80.1 | Confident | 81.4 | Confident | 116 Ų | 116 | 98.9 Ų | 98.9 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.6 | -42.9 | 174.6 | -76.8 | 175.5 | 1.9 | 0 | 0 | 112.1 | L626 A627 H632 L633 A634 | L626-Q630 WeakPolarHBondContact O-CB 3.29Å; L626-Q630 VanDerWaalsContact O-CG 3.31Å; L626-Q630 WeakPolarHBondContact O-CG 3.47Å; L626-Q630 PolarHBondContact O-N 2.86Å; A627-Q630 CarbonylContact O-C 3.6Å; A627-Q630 WeakPolarHBondContact O-CA 3.35Å; A627-Q630 WeakPolarHBondContact O-CB 3.38Å; A627-Q630 PolarHBondContact O-N 2.78Å; Q630-H632 VanDerWaalsContact C-N 3.35Å; Q630-L633 PolarHBondContact O-N 2.88Å; Q630-A634 WeakPolarHBondContact O-CB 3.29Å; Q630-A634 PolarHBondContact O-N 3Å |
| 631 | D | 83 | Confident | 81.4 | Confident | 111 Ų | 111 | 99.4 Ų | 99.4 | 59% | 0.594 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64 | -40.2 | 174.4 | -72.6 | -22.8 | 0 | 0 | 0 | 111.2 | A627 A634 S635 | A627-D631 PolarHBondContact O-N 3.2Å; D631-A634 PolarHBondContact O-N 3.39Å; D631-S635 WeakPolarHBondContact O-CB 3.25Å; D631-S635 PolarHBondContact O-N 3.47Å |
| 632 | H | 78.8 | Confident | 81.6 | Confident | 95 Ų | 95 | 98 Ų | 98 | 44% | 0.44 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.9 | -32.9 | 175.6 | -163.9 | 1.6 | 0 | 0 | 0 | 112.5 | N628 E629 Q630 K636 | N628-H632 WeakPolarHBondContact O-CB 3.17Å; N628-H632 PolarHBondContact O-N 3.49Å; E629-H632 PolarHBondContact O-N 2.85Å; Q630-H632 VanDerWaalsContact C-N 3.35Å; H632-K636 WeakPolarHBondContact CE1-CE 3.45Å; H632-K636 PolarHBondContact CE1-NZ 3.34Å; H632-K636 PolarHBondContact NE2-NZ 2.95Å; H632-K636 WeakPolarHBondContact O-CG 3.27Å; H632-K636 PolarHBondContact O-N 3.17Å |
| 633 | L | 77.7 | Confident | 81.9 | Confident | 76 Ų | 76 | 98.3 Ų | 98.3 | 40% | 0.398 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 171.6 | -78.2 | 168.3 | 0 | 0 | 0 | 111.8 | E629 Q630 K636 E637 | E629-L633 WeakPolarHBondContact O-CB 3.39Å; E629-L633 VanDerWaalsContact O-CG 3.23Å; E629-L633 WeakPolarHBondContact O-CG 3.25Å; E629-L633 PolarHBondContact O-N 3.19Å; Q630-L633 PolarHBondContact O-N 2.88Å; L633-K636 CarbonylContact O-C 3.45Å; L633-K636 PolarHBondContact O-N 3.18Å; L633-K636 VanDerWaalsContact O-N 3.17Å; L633-E637 WeakPolarHBondContact O-CB 3.33Å; L633-E637 PolarHBondContact O-N 2.94Å |
| 634 | A | 82.1 | Confident | 81.8 | Confident | 52 Ų | 52 | 98.7 Ų | 98.7 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q630 D631 K636 E637 E638 | Q630-A634 WeakPolarHBondContact O-CB 3.29Å; Q630-A634 PolarHBondContact O-N 3Å; D631-A634 PolarHBondContact O-N 3.39Å; A634-K636 VanDerWaalsContact C-N 3.33Å; A634-K636 PolarHBondContact O-N 3.18Å; A634-E637 PolarHBondContact O-N 2.81Å; A634-E638 PolarHBondContact O-N 3.03Å |
| 635 | S | 86 | Confident | 82 | Confident | 54 Ų | 54 | 98.5 Ų | 98.5 | 38% | 0.378 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 172.1 | 165.5 | 0 | 0 | 0 | 0 | 112.4 | D631 E638 E639 | D631-S635 WeakPolarHBondContact O-CB 3.25Å; D631-S635 PolarHBondContact O-N 3.47Å; S635-E638 PolarHBondContact O-N 3.42Å; S635-E639 WeakPolarHBondContact O-CG 3.39Å; S635-E639 PolarHBondContact O-N 2.8Å |
| 636 | K | 79.4 | Confident | 82.3 | Confident | 100 Ų | 100 | 101.5 Ų | 101.5 | 44% | 0.435 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.5 | -29.1 | 175.2 | -80 | 168.1 | 172.6 | 145.5 | 0 | 113.5 | H632 L633 A634 L640 | H632-K636 WeakPolarHBondContact CE1-CE 3.45Å; H632-K636 PolarHBondContact CE1-NZ 3.34Å; H632-K636 PolarHBondContact NE2-NZ 2.95Å; H632-K636 WeakPolarHBondContact O-CG 3.27Å; H632-K636 PolarHBondContact O-N 3.17Å; L633-K636 CarbonylContact O-C 3.45Å; L633-K636 PolarHBondContact O-N 3.18Å; L633-K636 VanDerWaalsContact O-N 3.17Å; A634-K636 VanDerWaalsContact C-N 3.33Å; A634-K636 PolarHBondContact O-N 3.18Å; K636-L640 VanDerWaalsContact O-CB 3.23Å; K636-L640 WeakPolarHBondContact O-CB 3.28Å; K636-L640 PolarHBondContact O-N 3.31Å |
| 637 | E | 79.1 | Confident | 81.9 | Confident | 142 Ų | 142 | 101.7 Ų | 101.7 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.2 | -37 | 172.7 | -169.4 | 175.5 | 174.3 | 0 | 0 | 110.8 | L633 A634 L640 K641 | L633-E637 WeakPolarHBondContact O-CB 3.33Å; L633-E637 PolarHBondContact O-N 2.94Å; A634-E637 PolarHBondContact O-N 2.81Å; E637-L640 PolarHBondContact O-N 3.23Å; E637-K641 VanDerWaalsContact O-CB 3.24Å; E637-K641 WeakPolarHBondContact O-CB 3.3Å; E637-K641 PolarHBondContact O-N 2.93Å |
| 638 | E | 83.9 | Confident | 82.2 | Confident | 136 Ų | 136 | 106.9 Ų | 106.9 | 64% | 0.636 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.2 | -47.4 | 171.4 | -169.2 | 160.7 | -135.5 | 0 | 0 | 111.9 | A634 S635 L640 K641 D642 | A634-E638 PolarHBondContact O-N 3.03Å; S635-E638 PolarHBondContact O-N 3.42Å; E638-L640 VanDerWaalsContact C-N 3.33Å; E638-L640 PolarHBondContact O-N 3.12Å; E638-K641 WeakPolarHBondContact O-CB 3.31Å; E638-K641 PolarHBondContact O-N 3.03Å; E638-K641 VanDerWaalsContact O-N 3.15Å; E638-D642 PolarHBondContact O-N 3.45Å |
| 639 | E | 82.4 | Confident | 82.4 | Confident | 121 Ų | 121 | 106.5 Ų | 106.5 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.3 | -44.5 | 171.6 | -74.2 | 178.8 | 169.4 | 0 | 0 | 112.2 | S635 K641 D642 V643 | S635-E639 WeakPolarHBondContact O-CG 3.39Å; S635-E639 PolarHBondContact O-N 2.8Å; E639-K641 VanDerWaalsContact C-N 3.31Å; E639-K641 PolarHBondContact O-N 3.49Å; E639-D642 PolarHBondContact O-N 3.22Å; E639-V643 WeakPolarHBondContact O-CG2 3.43Å; E639-V643 PolarHBondContact O-N 2.85Å |
| 640 | L | 82.2 | Confident | 82.6 | Confident | 98 Ų | 98 | 106.5 Ų | 106.5 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 178.2 | -178.9 | 62.1 | 0 | 0 | 0 | 111.9 | K636 E637 E638 V643 Q644 | K636-L640 VanDerWaalsContact O-CB 3.23Å; K636-L640 WeakPolarHBondContact O-CB 3.28Å; K636-L640 PolarHBondContact O-N 3.31Å; E637-L640 PolarHBondContact O-N 3.23Å; E638-L640 VanDerWaalsContact C-N 3.33Å; E638-L640 PolarHBondContact O-N 3.12Å; L640-V643 PolarHBondContact O-N 3.21Å; L640-Q644 WeakPolarHBondContact O-CG 3.39Å; L640-Q644 PolarHBondContact O-N 2.88Å |
| 641 | K | 85.4 | Confident | 82.8 | Confident | 135 Ų | 135 | 107.1 Ų | 107.1 | 59% | 0.587 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.4 | -38.8 | 177.2 | -169 | 178.6 | -171.8 | 176.9 | 0 | 111.7 | E637 E638 E639 Q644 N645 | E637-K641 VanDerWaalsContact O-CB 3.24Å; E637-K641 WeakPolarHBondContact O-CB 3.3Å; E637-K641 PolarHBondContact O-N 2.93Å; E638-K641 WeakPolarHBondContact O-CB 3.31Å; E638-K641 PolarHBondContact O-N 3.03Å; E638-K641 VanDerWaalsContact O-N 3.15Å; E639-K641 VanDerWaalsContact C-N 3.31Å; E639-K641 PolarHBondContact O-N 3.49Å; K641-Q644 WeakPolarHBondContact O-CB 3.4Å; K641-Q644 PolarHBondContact O-N 2.64Å; K641-N645 VanDerWaalsContact O-CG 3.23Å; K641-N645 PolarHBondContact O-N 2.77Å; K641-N645 PolarHBondContact O-ND2 2.88Å |
| 642 | D | 84.9 | Confident | 82.9 | Confident | 95 Ų | 95 | 103.9 Ų | 103.9 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.4 | -36.8 | 172 | -84.5 | -8.6 | 0 | 0 | 0 | 112.5 | E638 E639 Q644 N645 M646 | E638-D642 PolarHBondContact O-N 3.45Å; E639-D642 PolarHBondContact O-N 3.22Å; D642-Q644 VanDerWaalsContact C-N 3.31Å; D642-Q644 PolarHBondContact O-N 2.81Å; D642-N645 PolarHBondContact O-N 2.9Å; D642-N645 PolarHBondContact OD1-ND2 2.68Å; D642-M646 WeakPolarHBondContact O-CB 3.4Å; D642-M646 VanDerWaalsContact O-CG 3.32Å; D642-M646 WeakPolarHBondContact O-CG 3.49Å; D642-M646 PolarHBondContact O-N 3.47Å |
| 643 | V | 82.5 | Confident | 83.2 | Confident | 93 Ų | 93 | 103.1 Ų | 103.1 | 56% | 0.564 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.4 | -37.7 | 169.4 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | E639 L640 N647 | E639-V643 WeakPolarHBondContact O-CG2 3.43Å; E639-V643 PolarHBondContact O-N 2.85Å; L640-V643 PolarHBondContact O-N 3.21Å; V643-N647 VanDerWaalsContact O-CB 3.31Å; V643-N647 WeakPolarHBondContact O-CB 3.43Å; V643-N647 PolarHBondContact O-N 2.88Å |
| 644 | Q | 79.7 | Confident | 83.3 | Confident | 123 Ų | 123 | 103.7 Ų | 103.7 | 58% | 0.575 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67 | -43 | 173 | -74.9 | -179.8 | 13 | 0 | 0 | 112.4 | L640 K641 D642 N647 F648 | L640-Q644 WeakPolarHBondContact O-CG 3.39Å; L640-Q644 PolarHBondContact O-N 2.88Å; K641-Q644 WeakPolarHBondContact O-CB 3.4Å; K641-Q644 PolarHBondContact O-N 2.64Å; D642-Q644 VanDerWaalsContact C-N 3.31Å; D642-Q644 PolarHBondContact O-N 2.81Å; Q644-N647 PolarHBondContact O-N 3.26Å; Q644-F648 WeakPolarHBondContact O-CB 3.42Å; Q644-F648 PolarHBondContact O-N 2.84Å |
| 645 | N | 85.8 | Confident | 83.3 | Confident | 83 Ų | 83 | 107.4 Ų | 107.4 | 44% | 0.444 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60 | -46 | 174.7 | -71.2 | -32.4 | 0 | 0 | 0 | 111.2 | K641 D642 N647 F648 L649 | K641-N645 VanDerWaalsContact O-CG 3.23Å; K641-N645 PolarHBondContact O-N 2.77Å; K641-N645 PolarHBondContact O-ND2 2.88Å; D642-N645 PolarHBondContact O-N 2.9Å; D642-N645 PolarHBondContact OD1-ND2 2.68Å; N645-N647 PolarHBondContact O-N 2.85Å; N645-F648 WeakPolarHBondContact O-CB 3.37Å; N645-F648 PolarHBondContact O-N 3.25Å; N645-L649 WeakPolarHBondContact O-CG 3.43Å; N645-L649 PolarHBondContact O-N 2.91Å |
| 646 | M | 87.6 | Confident | 83.3 | Confident | 128 Ų | 128 | 110.5 Ų | 110.5 | 63% | 0.631 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.1 | -36.6 | 175.5 | -72.8 | -63.3 | -69.8 | 0 | 0 | 112.1 | D642 L649 L650 | D642-M646 WeakPolarHBondContact O-CB 3.4Å; D642-M646 VanDerWaalsContact O-CG 3.32Å; D642-M646 WeakPolarHBondContact O-CG 3.49Å; D642-M646 PolarHBondContact O-N 3.47Å; M646-L649 PolarHBondContact O-N 3.42Å; M646-L649 HydrophobicContact SD-CD1 4.22Å; M646-L650 VanDerWaalsContact O-CB 3.28Å; M646-L650 WeakPolarHBondContact O-CB 3.23Å; M646-L650 PolarHBondContact O-N 3.41Å |
| 647 | N | 76.4 | Confident | 83.5 | Confident | 103 Ų | 103 | 110.5 Ų | 110.5 | 55% | 0.551 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.3 | -39.5 | 173.9 | -162.7 | -87.5 | 0 | 0 | 0 | 111.8 | V643 Q644 N645 L650 K651 | V643-N647 VanDerWaalsContact O-CB 3.31Å; V643-N647 WeakPolarHBondContact O-CB 3.43Å; V643-N647 PolarHBondContact O-N 2.88Å; Q644-N647 PolarHBondContact O-N 3.26Å; N645-N647 PolarHBondContact O-N 2.85Å; N647-L650 PolarHBondContact O-N 3.36Å; N647-K651 WeakPolarHBondContact O-CB 3.4Å; N647-K651 PolarHBondContact O-N 3.45Å |
| 648 | F | 89.6 | Confident | 83.5 | Confident | 151 Ų | 151 | 109 Ų | 109 | 66% | 0.662 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.8 | -45 | 174.6 | -176.5 | -93.1 | 0 | 0 | 0 | 111.9 | Q644 N645 K651 A652 | Q644-F648 WeakPolarHBondContact O-CB 3.42Å; Q644-F648 PolarHBondContact O-N 2.84Å; N645-F648 WeakPolarHBondContact O-CB 3.37Å; N645-F648 PolarHBondContact O-N 3.25Å; F648-K651 PolarHBondContact O-N 3.48Å; F648-A652 WeakPolarHBondContact O-CB 3.49Å; F648-A652 PolarHBondContact O-N 2.83Å |
| 649 | L | 85.4 | Confident | 83.3 | Confident | 106 Ų | 106 | 105.2 Ų | 105.2 | 56% | 0.555 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.1 | -45.5 | 174.3 | -72.7 | 169.1 | 0 | 0 | 0 | 112 | N645 M646 K651 A652 E653 | N645-L649 WeakPolarHBondContact O-CG 3.43Å; N645-L649 PolarHBondContact O-N 2.91Å; M646-L649 PolarHBondContact O-N 3.42Å; M646-L649 HydrophobicContact SD-CD1 4.22Å; L649-K651 VanDerWaalsContact C-N 3.3Å; L649-K651 PolarHBondContact O-N 3.42Å; L649-A652 PolarHBondContact O-N 3.2Å; L649-E653 PolarHBondContact O-N 2.67Å |
| 650 | L | 83 | Confident | 83.3 | Confident | 119 Ų | 119 | 104.1 Ų | 104.1 | 62% | 0.623 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.5 | -38.9 | 176.8 | -163.2 | 76.7 | 0 | 0 | 0 | 111.4 | M646 N647 E653 V654 | M646-L650 VanDerWaalsContact O-CB 3.28Å; M646-L650 WeakPolarHBondContact O-CB 3.23Å; M646-L650 PolarHBondContact O-N 3.41Å; N647-L650 PolarHBondContact O-N 3.36Å; L650-E653 PolarHBondContact O-N 2.88Å; L650-V654 WeakPolarHBondContact O-CB 3.49Å; L650-V654 VanDerWaalsContact O-CG2 3.29Å; L650-V654 WeakPolarHBondContact O-CG2 3.26Å; L650-V654 PolarHBondContact O-N 3.37Å |
| 651 | K | 84.7 | Confident | 83.2 | Confident | 128 Ų | 128 | 101.6 Ų | 101.6 | 56% | 0.557 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.7 | -37.9 | 176.2 | -171.8 | 173.6 | -175.8 | 175.3 | 0 | 112.3 | N647 F648 L649 Q655 | N647-K651 WeakPolarHBondContact O-CB 3.4Å; N647-K651 PolarHBondContact O-N 3.45Å; F648-K651 PolarHBondContact O-N 3.48Å; L649-K651 VanDerWaalsContact C-N 3.3Å; L649-K651 PolarHBondContact O-N 3.42Å; K651-Q655 WeakPolarHBondContact O-CG 3.49Å; K651-Q655 PolarHBondContact O-N 3.02Å |
| 652 | A | 84 | Confident | 82.9 | Confident | 43 Ų | 43 | 99.8 Ų | 99.8 | 36% | 0.355 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F648 L649 Q655 K656 | F648-A652 WeakPolarHBondContact O-CB 3.49Å; F648-A652 PolarHBondContact O-N 2.83Å; L649-A652 PolarHBondContact O-N 3.2Å; A652-Q655 PolarHBondContact O-N 3.18Å; A652-K656 WeakPolarHBondContact O-CB 3.43Å; A652-K656 PolarHBondContact O-N 2.78Å |
| 653 | E | 84.7 | Confident | 82.8 | Confident | 80 Ų | 80 | 101.6 Ų | 101.6 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.3 | -36.9 | 176.8 | -165.9 | 58.7 | -148.7 | 0 | 0 | 111.9 | L649 L650 Q655 K656 L657 | L649-E653 PolarHBondContact O-N 2.67Å; L650-E653 PolarHBondContact O-N 2.88Å; E653-Q655 PolarHBondContact O-N 3.48Å; E653-K656 PolarHBondContact O-N 3.01Å; E653-K656 IonicContact OE1-NZ 2.84Å; E653-K656 PolarHBondContact OE1-NZ 3.41Å; E653-K656 IonicContact OE2-NZ 2.64Å; E653-K656 PolarHBondContact OE2-NZ 2.81Å; E653-L657 HydrophobicContact CG-CD1 4.49Å; E653-L657 WeakPolarHBondContact O-CB 3.4Å; E653-L657 WeakPolarHBondContact O-CG 3.35Å; E653-L657 PolarHBondContact O-N 3.37Å |
| 654 | V | 80.2 | Confident | 82.5 | Confident | 87 Ų | 87 | 103.2 Ų | 103.2 | 53% | 0.527 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 170.4 | 166.7 | 0 | 0 | 0 | 0 | 111.6 | L650 K656 L657 Q658 | L650-V654 WeakPolarHBondContact O-CB 3.49Å; L650-V654 VanDerWaalsContact O-CG2 3.29Å; L650-V654 WeakPolarHBondContact O-CG2 3.26Å; L650-V654 PolarHBondContact O-N 3.37Å; V654-K656 VanDerWaalsContact C-N 3.35Å; V654-L657 PolarHBondContact O-N 2.89Å; V654-Q658 WeakPolarHBondContact O-CB 3.47Å; V654-Q658 PolarHBondContact O-N 3.4Å |
| 655 | Q | 81.9 | Confident | 82.4 | Confident | 130 Ų | 130 | 100.3 Ų | 100.3 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -37.4 | 173.8 | -76.9 | 179.2 | -27.6 | 0 | 0 | 112.4 | K651 A652 E653 Q658 A659 | K651-Q655 WeakPolarHBondContact O-CG 3.49Å; K651-Q655 PolarHBondContact O-N 3.02Å; A652-Q655 PolarHBondContact O-N 3.18Å; E653-Q655 PolarHBondContact O-N 3.48Å; Q655-Q658 PolarHBondContact O-N 3.49Å; Q655-A659 WeakPolarHBondContact O-CB 3.5Å; Q655-A659 PolarHBondContact O-N 2.92Å |
| 656 | K | 86.8 | Confident | 82.2 | Confident | 120 Ų | 120 | 99.2 Ų | 99.2 | 52% | 0.522 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.3 | -41.5 | 176 | 173.5 | 160.7 | 154.3 | -87.2 | 0 | 112.3 | A652 E653 V654 A659 L660 | A652-K656 WeakPolarHBondContact O-CB 3.43Å; A652-K656 PolarHBondContact O-N 2.78Å; E653-K656 PolarHBondContact O-N 3.01Å; E653-K656 IonicContact OE1-NZ 2.84Å; E653-K656 PolarHBondContact OE1-NZ 3.41Å; E653-K656 IonicContact OE2-NZ 2.64Å; E653-K656 PolarHBondContact OE2-NZ 2.81Å; V654-K656 VanDerWaalsContact C-N 3.35Å; K656-A659 PolarHBondContact O-N 2.92Å; K656-L660 WeakPolarHBondContact O-CB 3.41Å; K656-L660 PolarHBondContact O-N 2.62Å |
| 657 | L | 82.6 | Confident | 81.9 | Confident | 99 Ų | 99 | 96.9 Ų | 96.9 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 171.6 | -70.8 | 169.7 | 0 | 0 | 0 | 111.9 | E653 V654 L660 A661 | E653-L657 HydrophobicContact CG-CD1 4.49Å; E653-L657 WeakPolarHBondContact O-CB 3.4Å; E653-L657 WeakPolarHBondContact O-CG 3.35Å; E653-L657 PolarHBondContact O-N 3.37Å; V654-L657 PolarHBondContact O-N 2.89Å; L657-L660 PolarHBondContact O-N 3.15Å; L657-A661 WeakPolarHBondContact O-CB 3.41Å; L657-A661 PolarHBondContact O-N 2.95Å |
| 658 | Q | 79.4 | Confident | 81.9 | Confident | 110 Ų | 110 | 94.8 Ų | 94.8 | 51% | 0.514 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 174.7 | -175.6 | 64.6 | 71.8 | 0 | 0 | 112.1 | V654 Q655 N662 | V654-Q658 WeakPolarHBondContact O-CB 3.47Å; V654-Q658 PolarHBondContact O-N 3.4Å; Q655-Q658 PolarHBondContact O-N 3.49Å; Q658-N662 PolarHBondContact NE2-OD1 3.25Å; Q658-N662 PolarHBondContact O-N 2.98Å; Q658-N662 PolarHBondContact O-ND2 3.24Å; Q658-N662 PolarHBondContact O-OD1 3.46Å |
| 659 | A | 80.5 | Confident | 81.5 | Confident | 57 Ų | 57 | 93.1 Ų | 93.1 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q655 K656 N662 E663 | Q655-A659 WeakPolarHBondContact O-CB 3.5Å; Q655-A659 PolarHBondContact O-N 2.92Å; K656-A659 PolarHBondContact O-N 2.92Å; A659-N662 WeakPolarHBondContact O-CB 3.46Å; A659-N662 PolarHBondContact O-N 3.31Å; A659-E663 PolarHBondContact O-N 2.94Å |
| 660 | L | 82.6 | Confident | 81.2 | Confident | 98 Ų | 98 | 92.1 Ų | 92.1 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.9 | -36.4 | 179.1 | -165.3 | 146.9 | 0 | 0 | 0 | 112.1 | K656 L657 E663 Q664 | K656-L660 WeakPolarHBondContact O-CB 3.41Å; K656-L660 PolarHBondContact O-N 2.62Å; L657-L660 PolarHBondContact O-N 3.15Å; L660-E663 PolarHBondContact O-N 2.87Å; L660-Q664 WeakPolarHBondContact O-CB 3.35Å; L660-Q664 PolarHBondContact O-N 3.19Å |
| 661 | A | 79.1 | Confident | 81 | Confident | 46 Ų | 46 | 90.2 Ų | 90.2 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L657 Q664 A665 | L657-A661 WeakPolarHBondContact O-CB 3.41Å; L657-A661 PolarHBondContact O-N 2.95Å; A661-Q664 PolarHBondContact O-N 2.83Å; A661-A665 PolarHBondContact O-N 3.18Å |
| 662 | N | 79.3 | Confident | 80.8 | Confident | 96 Ų | 96 | 88.6 Ų | 88.6 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 175.1 | -65.5 | -7.5 | 0 | 0 | 0 | 111.6 | Q658 A659 A665 A666 | Q658-N662 PolarHBondContact NE2-OD1 3.25Å; Q658-N662 PolarHBondContact O-N 2.98Å; Q658-N662 PolarHBondContact O-ND2 3.24Å; Q658-N662 PolarHBondContact O-OD1 3.46Å; A659-N662 WeakPolarHBondContact O-CB 3.46Å; A659-N662 PolarHBondContact O-N 3.31Å; N662-A665 PolarHBondContact O-N 2.77Å; N662-A666 WeakPolarHBondContact O-CB 3.38Å; N662-A666 PolarHBondContact O-N 2.78Å |
| 663 | E | 83.8 | Confident | 80.7 | Confident | 133 Ų | 133 | 91.7 Ų | 91.7 | 62% | 0.621 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.8 | -38.1 | 174.2 | -172.4 | 171.9 | -166.3 | 0 | 0 | 111.9 | A659 L660 A666 T667 | A659-E663 PolarHBondContact O-N 2.94Å; L660-E663 PolarHBondContact O-N 2.87Å; E663-A666 PolarHBondContact O-N 3.03Å; E663-T667 WeakPolarHBondContact O-CG2 3.46Å; E663-T667 PolarHBondContact O-N 3.4Å; E663-T667 PolarHBondContact O-OG1 3.32Å |
| 664 | Q | 76.6 | Confident | 80.5 | Confident | 128 Ų | 128 | 92.6 Ų | 92.6 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.2 | -37.6 | 172.8 | -167.9 | 171.6 | 0.1 | 0 | 0 | 112.1 | L660 A661 T667 A668 | L660-Q664 WeakPolarHBondContact O-CB 3.35Å; L660-Q664 PolarHBondContact O-N 3.19Å; A661-Q664 PolarHBondContact O-N 2.83Å; Q664-T667 WeakPolarHBondContact CA-OG1 3.25Å; Q664-T667 PolarHBondContact O-OG1 3.17Å; Q664-T667 VanDerWaalsContact O-OG1 3.08Å; Q664-A668 VanDerWaalsContact O-CB 3.27Å; Q664-A668 WeakPolarHBondContact O-CB 3.41Å; Q664-A668 PolarHBondContact O-N 3.02Å |
| 665 | A | 77.8 | Confident | 80.3 | Confident | 61 Ų | 61 | 93.5 Ų | 93.5 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.6 | -40.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A661 N662 A668 H669 | A661-A665 PolarHBondContact O-N 3.18Å; N662-A665 PolarHBondContact O-N 2.77Å; A665-A668 PolarHBondContact O-N 3.32Å; A665-H669 PolarHBondContact O-N 2.86Å |
| 666 | A | 79.8 | Confident | 80.3 | Confident | 61 Ų | 61 | 92.9 Ų | 92.9 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N662 E663 H669 E670 | N662-A666 WeakPolarHBondContact O-CB 3.38Å; N662-A666 PolarHBondContact O-N 2.78Å; E663-A666 PolarHBondContact O-N 3.03Å; A666-H669 PolarHBondContact O-N 3.02Å; A666-E670 PolarHBondContact O-N 3.32Å; A666-E670 VanDerWaalsContact O-N 3.08Å |
| 667 | T | 81.6 | Confident | 80.2 | Confident | 79 Ų | 79 | 89.8 Ų | 89.8 | 49% | 0.485 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.2 | -38.3 | 175.4 | 47.8 | 0 | 0 | 0 | 0 | 112.1 | E663 Q664 H669 E670 V671 | E663-T667 WeakPolarHBondContact O-CG2 3.46Å; E663-T667 PolarHBondContact O-N 3.4Å; E663-T667 PolarHBondContact O-OG1 3.32Å; Q664-T667 WeakPolarHBondContact CA-OG1 3.25Å; Q664-T667 PolarHBondContact O-OG1 3.17Å; Q664-T667 VanDerWaalsContact O-OG1 3.08Å; T667-H669 PolarHBondContact O-N 3.06Å; T667-E670 PolarHBondContact O-N 3.24Å; T667-V671 WeakPolarHBondContact O-CG2 3.32Å; T667-V671 PolarHBondContact O-N 2.96Å |
| 668 | A | 75.8 | Confident | 80.1 | Confident | 59 Ų | 59 | 88.6 Ų | 88.6 | 49% | 0.488 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q664 A665 V671 E672 | Q664-A668 VanDerWaalsContact O-CB 3.27Å; Q664-A668 WeakPolarHBondContact O-CB 3.41Å; Q664-A668 PolarHBondContact O-N 3.02Å; A665-A668 PolarHBondContact O-N 3.32Å; A668-V671 PolarHBondContact O-N 2.93Å; A668-E672 PolarHBondContact O-N 3.3Å |
| 669 | H | 82.2 | Confident | 80.1 | Confident | 115 Ų | 115 | 87.9 Ų | 87.9 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.4 | -38.6 | 176.1 | 179.8 | -86.2 | 0 | 0 | 0 | 112.6 | A665 A666 T667 E672 K673 | A665-H669 PolarHBondContact O-N 2.86Å; A666-H669 PolarHBondContact O-N 3.02Å; T667-H669 PolarHBondContact O-N 3.06Å; H669-E672 PolarHBondContact O-N 2.84Å; H669-K673 WeakPolarHBondContact O-CB 3.38Å; H669-K673 PolarHBondContact O-N 3.42Å |
| 670 | E | 79.7 | Confident | 80.3 | Confident | 85 Ų | 85 | 90.1 Ų | 90.1 | 40% | 0.397 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.4 | -33.1 | 175.2 | -165.7 | 60.5 | -152.4 | 0 | 0 | 111.9 | A666 T667 K673 M674 | A666-E670 PolarHBondContact O-N 3.32Å; A666-E670 VanDerWaalsContact O-N 3.08Å; T667-E670 PolarHBondContact O-N 3.24Å; E670-K673 PolarHBondContact O-N 3.47Å; E670-K673 IonicContact OE1-NZ 2.89Å; E670-K673 PolarHBondContact OE1-NZ 3.49Å; E670-K673 IonicContact OE2-NZ 2.68Å; E670-K673 PolarHBondContact OE2-NZ 2.94Å; E670-M674 WeakPolarHBondContact O-CG 3.28Å; E670-M674 PolarHBondContact O-N 2.99Å |
| 671 | V | 77.4 | Confident | 80.3 | Confident | 79 Ų | 79 | 91.4 Ų | 91.4 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 169 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | T667 A668 K673 M674 Q675 | T667-V671 WeakPolarHBondContact O-CG2 3.32Å; T667-V671 PolarHBondContact O-N 2.96Å; A668-V671 PolarHBondContact O-N 2.93Å; V671-K673 VanDerWaalsContact C-N 3.28Å; V671-K673 PolarHBondContact O-N 2.94Å; V671-M674 HydrophobicContact CG2-CE 3.96Å; V671-M674 CarbonylContact O-C 3.57Å; V671-M674 PolarHBondContact O-N 3.48Å; V671-M674 VanDerWaalsContact O-N 3.15Å; V671-Q675 WeakPolarHBondContact O-CB 3.34Å; V671-Q675 PolarHBondContact O-N 3.37Å |
| 672 | E | 81.1 | Confident | 80.4 | Confident | 94 Ų | 94 | 93.9 Ų | 93.9 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 175.9 | -162 | -158.5 | 171.5 | 0 | 0 | 111.8 | A668 H669 Q675 K676 | A668-E672 PolarHBondContact O-N 3.3Å; H669-E672 PolarHBondContact O-N 2.84Å; E672-Q675 WeakPolarHBondContact O-CB 3.29Å; E672-Q675 PolarHBondContact O-N 2.68Å; E672-K676 WeakPolarHBondContact O-CG 3.32Å; E672-K676 PolarHBondContact O-N 2.86Å; E672-K676 WeakPolarHBondContact OE1-CE 3.41Å; E672-K676 IonicContact OE1-NZ 2.69Å; E672-K676 PolarHBondContact OE1-NZ 2.84Å; E672-K676 IonicContact OE2-NZ 2.57Å |
| 673 | K | 82.4 | Confident | 80.7 | Confident | 108 Ų | 108 | 93.2 Ų | 93.2 | 47% | 0.47 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.8 | -38.4 | 174 | 173.4 | 165.3 | 160.2 | -105.7 | 0 | 112.4 | H669 E670 V671 S677 | H669-K673 WeakPolarHBondContact O-CB 3.38Å; H669-K673 PolarHBondContact O-N 3.42Å; E670-K673 PolarHBondContact O-N 3.47Å; E670-K673 IonicContact OE1-NZ 2.89Å; E670-K673 PolarHBondContact OE1-NZ 3.49Å; E670-K673 IonicContact OE2-NZ 2.68Å; E670-K673 PolarHBondContact OE2-NZ 2.94Å; V671-K673 VanDerWaalsContact C-N 3.28Å; V671-K673 PolarHBondContact O-N 2.94Å; K673-S677 PolarHBondContact O-N 3.13Å |
| 674 | M | 80.5 | Confident | 80.9 | Confident | 100 Ų | 100 | 93.5 Ų | 93.5 | 49% | 0.493 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 169.8 | -72.8 | -171.7 | -67.6 | 0 | 0 | 111.9 | E670 V671 K676 S677 I678 | E670-M674 WeakPolarHBondContact O-CG 3.28Å; E670-M674 PolarHBondContact O-N 2.99Å; V671-M674 HydrophobicContact CG2-CE 3.96Å; V671-M674 CarbonylContact O-C 3.57Å; V671-M674 PolarHBondContact O-N 3.48Å; V671-M674 VanDerWaalsContact O-N 3.15Å; M674-K676 PolarHBondContact O-N 3.35Å; M674-S677 CarbonylContact O-C 3.58Å; M674-S677 WeakPolarHBondContact O-CA 3.18Å; M674-S677 WeakPolarHBondContact O-CB 3.33Å; M674-S677 PolarHBondContact O-N 2.66Å; M674-I678 WeakPolarHBondContact O-CG1 3.29Å; M674-I678 PolarHBondContact O-N 3.25Å |
| 675 | Q | 76.2 | Confident | 81.2 | Confident | 106 Ų | 106 | 91.7 Ų | 91.7 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -55.1 | -48.9 | 176.3 | -164.6 | 81.9 | -1.7 | 0 | 0 | 110.9 | V671 E672 S677 I678 H679 | V671-Q675 WeakPolarHBondContact O-CB 3.34Å; V671-Q675 PolarHBondContact O-N 3.37Å; E672-Q675 WeakPolarHBondContact O-CB 3.29Å; E672-Q675 PolarHBondContact O-N 2.68Å; Q675-S677 PolarHBondContact O-N 2.93Å; Q675-I678 WeakPolarHBondContact O-CB 3.3Å; Q675-I678 PolarHBondContact O-N 3.48Å; Q675-I678 VanDerWaalsContact O-N 3.17Å; Q675-H679 PolarHBondContact O-N 3.01Å; Q675-H679 PolarHBondContact O-ND1 3.21Å |
| 676 | K | 81.3 | Confident | 81.6 | Confident | 117 Ų | 117 | 95.3 Ų | 95.3 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 175.1 | -71 | 167.7 | -175.1 | 169 | 0 | 112.3 | E672 M674 I678 V680 | E672-K676 WeakPolarHBondContact O-CG 3.32Å; E672-K676 PolarHBondContact O-N 2.86Å; E672-K676 WeakPolarHBondContact OE1-CE 3.41Å; E672-K676 IonicContact OE1-NZ 2.69Å; E672-K676 PolarHBondContact OE1-NZ 2.84Å; E672-K676 IonicContact OE2-NZ 2.57Å; M674-K676 PolarHBondContact O-N 3.35Å; K676-I678 VanDerWaalsContact C-N 3.32Å; K676-I678 PolarHBondContact O-N 2.96Å; K676-V680 WeakPolarHBondContact O-CG2 3.42Å; K676-V680 PolarHBondContact O-N 2.78Å; K676-V680 VanDerWaalsContact O-N 3.11Å |
| 677 | S | 83.8 | Confident | 81.9 | Confident | 54 Ų | 54 | 96.7 Ų | 96.7 | 38% | 0.378 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.2 | -31.2 | 173.9 | -174.1 | 0 | 0 | 0 | 0 | 113 | K673 M674 Q675 K681 | K673-S677 PolarHBondContact O-N 3.13Å; M674-S677 CarbonylContact O-C 3.58Å; M674-S677 WeakPolarHBondContact O-CA 3.18Å; M674-S677 WeakPolarHBondContact O-CB 3.33Å; M674-S677 PolarHBondContact O-N 2.66Å; Q675-S677 PolarHBondContact O-N 2.93Å; S677-K681 WeakPolarHBondContact O-CD 3.27Å; S677-K681 VanDerWaalsContact O-CG 3.23Å; S677-K681 WeakPolarHBondContact O-CG 3.26Å; S677-K681 PolarHBondContact O-N 2.94Å; S677-K681 PolarHBondContact OG-NZ 3.26Å |
| 678 | I | 81.6 | Confident | 82.1 | Confident | 74 Ų | 74 | 97.4 Ų | 97.4 | 38% | 0.379 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.6 | -49.4 | 175 | -71.3 | 163.1 | 0 | 0 | 0 | 109.8 | M674 Q675 K676 V680 K681 E682 | M674-I678 WeakPolarHBondContact O-CG1 3.29Å; M674-I678 PolarHBondContact O-N 3.25Å; Q675-I678 WeakPolarHBondContact O-CB 3.3Å; Q675-I678 PolarHBondContact O-N 3.48Å; Q675-I678 VanDerWaalsContact O-N 3.17Å; K676-I678 VanDerWaalsContact C-N 3.32Å; K676-I678 PolarHBondContact O-N 2.96Å; I678-V680 VanDerWaalsContact C-N 3.33Å; I678-V680 PolarHBondContact O-N 3.19Å; I678-K681 CarbonylContact O-C 3.58Å; I678-K681 WeakPolarHBondContact O-CA 3.41Å; I678-K681 WeakPolarHBondContact O-CB 3.43Å; I678-K681 PolarHBondContact O-N 3.04Å; I678-E682 VanDerWaalsContact CG2-CD 3.49Å; I678-E682 HydrophobicContact CG2-CG 4.21Å; I678-E682 WeakPolarHBondContact CG2-OE2 3.48Å; I678-E682 WeakPolarHBondContact O-CG 3.24Å; I678-E682 PolarHBondContact O-N 2.81Å |
| 679 | H | 79 | Confident | 82.4 | Confident | 96 Ų | 96 | 99.7 Ų | 99.7 | 44% | 0.444 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 177.3 | -73.3 | 54.7 | 0 | 0 | 0 | 111.9 | Q675 K681 E682 D683 | Q675-H679 PolarHBondContact O-N 3.01Å; Q675-H679 PolarHBondContact O-ND1 3.21Å; H679-K681 PolarHBondContact O-N 2.96Å; H679-E682 PolarHBondContact O-N 3.31Å; H679-E682 VanDerWaalsContact O-N 3.16Å; H679-D683 PolarHBondContact O-N 3.33Å |
| 680 | V | 85.1 | Confident | 82.5 | Confident | 104 Ų | 104 | 99.5 Ų | 99.5 | 63% | 0.63 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.7 | -26.5 | 176.1 | 171.5 | 0 | 0 | 0 | 0 | 112.9 | K676 I678 K684 | K676-V680 WeakPolarHBondContact O-CG2 3.42Å; K676-V680 PolarHBondContact O-N 2.78Å; K676-V680 VanDerWaalsContact O-N 3.11Å; I678-V680 VanDerWaalsContact C-N 3.33Å; I678-V680 PolarHBondContact O-N 3.19Å; V680-K684 WeakPolarHBondContact O-CB 3.33Å; V680-K684 PolarHBondContact O-N 2.92Å |
| 681 | K | 83.4 | Confident | 82.7 | Confident | 124 Ų | 124 | 100.9 Ų | 100.9 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -78.4 | -40.3 | 171.7 | -72.8 | 164.1 | -173.8 | 165.4 | 0 | 111.5 | S677 I678 H679 K684 I685 | S677-K681 WeakPolarHBondContact O-CD 3.27Å; S677-K681 VanDerWaalsContact O-CG 3.23Å; S677-K681 WeakPolarHBondContact O-CG 3.26Å; S677-K681 PolarHBondContact O-N 2.94Å; S677-K681 PolarHBondContact OG-NZ 3.26Å; I678-K681 CarbonylContact O-C 3.58Å; I678-K681 WeakPolarHBondContact O-CA 3.41Å; I678-K681 WeakPolarHBondContact O-CB 3.43Å; I678-K681 PolarHBondContact O-N 3.04Å; H679-K681 PolarHBondContact O-N 2.96Å; K681-K684 CarbonylContact O-C 3.59Å; K681-K684 PolarHBondContact O-N 2.86Å; K681-I685 WeakPolarHBondContact O-CB 3.38Å; K681-I685 VanDerWaalsContact O-CG1 3.25Å; K681-I685 WeakPolarHBondContact O-CG1 3.43Å; K681-I685 PolarHBondContact O-N 3.3Å |
| 682 | E | 80.9 | Confident | 83.1 | Confident | 98 Ų | 98 | 102.2 Ų | 102.2 | 46% | 0.458 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 178.2 | -70.6 | 167.2 | 149.5 | 0 | 0 | 111.4 | I678 H679 K684 I685 R686 | I678-E682 VanDerWaalsContact CG2-CD 3.49Å; I678-E682 HydrophobicContact CG2-CG 4.21Å; I678-E682 WeakPolarHBondContact CG2-OE2 3.48Å; I678-E682 WeakPolarHBondContact O-CG 3.24Å; I678-E682 PolarHBondContact O-N 2.81Å; H679-E682 PolarHBondContact O-N 3.31Å; H679-E682 VanDerWaalsContact O-N 3.16Å; E682-K684 VanDerWaalsContact C-N 3.3Å; E682-K684 PolarHBondContact O-N 2.87Å; E682-I685 PolarHBondContact O-N 3Å; E682-R686 WeakPolarHBondContact O-CB 3.49Å; E682-R686 PolarHBondContact O-N 3.01Å |
| 683 | D | 84.5 | Confident | 83 | Confident | 83 Ų | 83 | 104.9 Ų | 104.9 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 172.3 | -71.7 | -24.4 | 0 | 0 | 0 | 112.3 | H679 R686 L687 | H679-D683 PolarHBondContact O-N 3.33Å; D683-R686 IonicContact OD1-CZ 2.62Å; D683-R686 IonicContact OD1-NE 3.4Å; D683-R686 IonicContact OD1-NH2 2.78Å; D683-R686 PolarHBondContact OD1-NH2 3.35Å; D683-L687 WeakPolarHBondContact O-CB 3.32Å; D683-L687 PolarHBondContact O-N 3Å |
| 684 | K | 88.9 | Confident | 82.9 | Confident | 139 Ų | 139 | 106.5 Ų | 106.5 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73.2 | -33.8 | 174 | -171.8 | 170.4 | -177.3 | 176.5 | 0 | 112.6 | V680 K681 E682 L688 | V680-K684 WeakPolarHBondContact O-CB 3.33Å; V680-K684 PolarHBondContact O-N 2.92Å; K681-K684 CarbonylContact O-C 3.59Å; K681-K684 PolarHBondContact O-N 2.86Å; E682-K684 VanDerWaalsContact C-N 3.3Å; E682-K684 PolarHBondContact O-N 2.87Å; K684-L688 HydrophobicContact CG-CD1 4.28Å; K684-L688 WeakPolarHBondContact O-CB 3.41Å; K684-L688 WeakPolarHBondContact O-CD1 3.37Å; K684-L688 VanDerWaalsContact O-CG 3.23Å; K684-L688 WeakPolarHBondContact O-CG 3.42Å; K684-L688 PolarHBondContact O-N 3.44Å |
| 685 | I | 82.6 | Confident | 83.1 | Confident | 89 Ų | 89 | 107.1 Ų | 107.1 | 46% | 0.456 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -50 | 171.6 | -73.5 | 161.3 | 0 | 0 | 0 | 108.8 | K681 E682 L687 L688 E689 | K681-I685 WeakPolarHBondContact O-CB 3.38Å; K681-I685 VanDerWaalsContact O-CG1 3.25Å; K681-I685 WeakPolarHBondContact O-CG1 3.43Å; K681-I685 PolarHBondContact O-N 3.3Å; E682-I685 PolarHBondContact O-N 3Å; I685-L687 VanDerWaalsContact C-N 3.33Å; I685-L687 PolarHBondContact O-N 2.81Å; I685-L688 CarbonylContact O-C 3.59Å; I685-L688 WeakPolarHBondContact O-CA 3.24Å; I685-L688 WeakPolarHBondContact O-CB 3.4Å; I685-L688 PolarHBondContact O-N 2.77Å; I685-E689 HydrophobicContact CG2-CG 4.22Å; I685-E689 WeakPolarHBondContact O-CG 3.42Å; I685-E689 PolarHBondContact O-N 2.73Å |
| 686 | R | 86.7 | Confident | 83.3 | Confident | 137 Ų | 137 | 105.9 Ų | 105.9 | 52% | 0.517 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -53.5 | -47 | 175.7 | -163 | -161.3 | -43.5 | -133.1 | 6.6 | 112.2 | E682 D683 L688 E689 E690 | E682-R686 WeakPolarHBondContact O-CB 3.49Å; E682-R686 PolarHBondContact O-N 3.01Å; D683-R686 IonicContact OD1-CZ 2.62Å; D683-R686 IonicContact OD1-NE 3.4Å; D683-R686 IonicContact OD1-NH2 2.78Å; D683-R686 PolarHBondContact OD1-NH2 3.35Å; R686-L688 VanDerWaalsContact C-N 3.34Å; R686-L688 PolarHBondContact O-N 3.45Å; R686-E689 PolarHBondContact O-N 3Å; R686-E690 WeakPolarHBondContact O-CG 3.39Å; R686-E690 PolarHBondContact O-N 2.91Å |
| 687 | L | 84.4 | Confident | 83.2 | Confident | 91 Ų | 91 | 103.1 Ų | 103.1 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 176.7 | -173.6 | 67.2 | 0 | 0 | 0 | 112.6 | D683 I685 Q691 | D683-L687 WeakPolarHBondContact O-CB 3.32Å; D683-L687 PolarHBondContact O-N 3Å; I685-L687 VanDerWaalsContact C-N 3.33Å; I685-L687 PolarHBondContact O-N 2.81Å; L687-Q691 WeakPolarHBondContact O-CB 3.22Å; L687-Q691 VanDerWaalsContact O-CG 3.27Å; L687-Q691 WeakPolarHBondContact O-CG 3.45Å; L687-Q691 PolarHBondContact O-N 3.48Å |
| 688 | L | 86.9 | Confident | 83.2 | Confident | 93 Ų | 93 | 103.2 Ų | 103.2 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72 | -32.3 | 173.9 | -73.7 | 167.6 | 0 | 0 | 0 | 112.1 | K684 I685 R686 L692 | K684-L688 HydrophobicContact CG-CD1 4.28Å; K684-L688 WeakPolarHBondContact O-CB 3.41Å; K684-L688 WeakPolarHBondContact O-CD1 3.37Å; K684-L688 VanDerWaalsContact O-CG 3.23Å; K684-L688 WeakPolarHBondContact O-CG 3.42Å; K684-L688 PolarHBondContact O-N 3.44Å; I685-L688 CarbonylContact O-C 3.59Å; I685-L688 WeakPolarHBondContact O-CA 3.24Å; I685-L688 WeakPolarHBondContact O-CB 3.4Å; I685-L688 PolarHBondContact O-N 2.77Å; R686-L688 VanDerWaalsContact C-N 3.34Å; R686-L688 PolarHBondContact O-N 3.45Å; L688-L692 WeakPolarHBondContact O-CB 3.46Å; L688-L692 PolarHBondContact O-N 3.38Å |
| 689 | E | 81.4 | Confident | 83.3 | Confident | 107 Ų | 107 | 103.9 Ų | 103.9 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.4 | -40.9 | 173.3 | -72 | 173.2 | 157.3 | 0 | 0 | 111.3 | I685 R686 L692 Q693 | I685-E689 HydrophobicContact CG2-CG 4.22Å; I685-E689 WeakPolarHBondContact O-CG 3.42Å; I685-E689 PolarHBondContact O-N 2.73Å; R686-E689 PolarHBondContact O-N 3Å; E689-L692 PolarHBondContact O-N 2.9Å; E689-Q693 WeakPolarHBondContact O-CB 3.32Å; E689-Q693 WeakPolarHBondContact O-CG 3.4Å; E689-Q693 PolarHBondContact O-N 2.87Å |
| 690 | E | 84.8 | Confident | 83.2 | Confident | 111 Ų | 111 | 105.4 Ų | 105.4 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 171.7 | -73.9 | 170.6 | -165.4 | 0 | 0 | 111.5 | R686 Q693 H694 | R686-E690 WeakPolarHBondContact O-CG 3.39Å; R686-E690 PolarHBondContact O-N 2.91Å; E690-Q693 PolarHBondContact O-N 3.32Å; E690-H694 WeakPolarHBondContact O-CB 3.43Å; E690-H694 PolarHBondContact O-N 2.85Å |
| 691 | Q | 84.7 | Confident | 83 | Confident | 114 Ų | 114 | 104.7 Ų | 104.7 | 53% | 0.533 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 173.1 | -77.5 | 179.5 | -12 | 0 | 0 | 111.8 | L687 H694 E695 | L687-Q691 WeakPolarHBondContact O-CB 3.22Å; L687-Q691 VanDerWaalsContact O-CG 3.27Å; L687-Q691 WeakPolarHBondContact O-CG 3.45Å; L687-Q691 PolarHBondContact O-N 3.48Å; Q691-H694 PolarHBondContact O-N 3.4Å; Q691-E695 WeakPolarHBondContact O-CB 3.4Å; Q691-E695 PolarHBondContact O-N 3.29Å |
| 692 | L | 84.8 | Confident | 82.8 | Confident | 108 Ų | 108 | 102.4 Ų | 102.4 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.8 | -37.5 | 177.3 | -176.8 | 63.4 | 0 | 0 | 0 | 111.7 | L688 E689 E695 V696 | L688-L692 WeakPolarHBondContact O-CB 3.46Å; L688-L692 PolarHBondContact O-N 3.38Å; E689-L692 PolarHBondContact O-N 2.9Å; L692-E695 PolarHBondContact O-N 2.81Å; L692-V696 HydrophobicContact CD1-CG2 4.27Å; L692-V696 HydrophobicContact CG-CG2 4.4Å; L692-V696 VanDerWaalsContact O-CB 3.25Å; L692-V696 WeakPolarHBondContact O-CB 3.46Å; L692-V696 WeakPolarHBondContact O-CG2 3.37Å; L692-V696 PolarHBondContact O-N 3.41Å |
| 693 | Q | 78.8 | Confident | 82.8 | Confident | 150 Ų | 150 | 103.3 Ų | 103.3 | 70% | 0.701 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.3 | -41.1 | 173 | -76.7 | -169.2 | 29 | 0 | 0 | 111.8 | E689 E690 V696 A697 | E689-Q693 WeakPolarHBondContact O-CB 3.32Å; E689-Q693 WeakPolarHBondContact O-CG 3.4Å; E689-Q693 PolarHBondContact O-N 2.87Å; E690-Q693 PolarHBondContact O-N 3.32Å; Q693-V696 PolarHBondContact O-N 3.31Å; Q693-A697 WeakPolarHBondContact O-CB 3.15Å; Q693-A697 PolarHBondContact O-N 2.86Å |
| 694 | H | 80.6 | Confident | 82.5 | Confident | 142 Ų | 142 | 104 Ų | 104 | 66% | 0.657 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | 174.6 | -172.1 | -67.1 | 0 | 0 | 0 | 111.8 | E690 Q691 A697 S698 | E690-H694 WeakPolarHBondContact O-CB 3.43Å; E690-H694 PolarHBondContact O-N 2.85Å; Q691-H694 PolarHBondContact O-N 3.4Å; H694-A697 PolarHBondContact O-N 2.88Å; H694-S698 WeakPolarHBondContact O-CB 3.3Å; H694-S698 PolarHBondContact O-N 2.96Å |
| 695 | E | 84.1 | Confident | 82.1 | Confident | 112 Ų | 112 | 101.2 Ų | 101.2 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.8 | -39.4 | 176 | -173.4 | 161.3 | -161.4 | 0 | 0 | 111.7 | Q691 L692 A697 S698 K699 | Q691-E695 WeakPolarHBondContact O-CB 3.4Å; Q691-E695 PolarHBondContact O-N 3.29Å; L692-E695 PolarHBondContact O-N 2.81Å; E695-A697 VanDerWaalsContact C-N 3.33Å; E695-A697 PolarHBondContact O-N 2.86Å; E695-S698 PolarHBondContact O-N 2.85Å; E695-K699 HydrophobicContact CG-CG 4.14Å; E695-K699 VanDerWaalsContact O-CB 3.29Å; E695-K699 WeakPolarHBondContact O-CB 3.26Å; E695-K699 WeakPolarHBondContact O-CG 3.35Å; E695-K699 PolarHBondContact O-N 3.46Å |
| 696 | V | 81.6 | Confident | 82.1 | Confident | 80 Ų | 80 | 100.6 Ų | 100.6 | 49% | 0.485 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 171.9 | 165.9 | 0 | 0 | 0 | 0 | 111.3 | L692 Q693 K699 M700 | L692-V696 HydrophobicContact CD1-CG2 4.27Å; L692-V696 HydrophobicContact CG-CG2 4.4Å; L692-V696 VanDerWaalsContact O-CB 3.25Å; L692-V696 WeakPolarHBondContact O-CB 3.46Å; L692-V696 WeakPolarHBondContact O-CG2 3.37Å; L692-V696 PolarHBondContact O-N 3.41Å; Q693-V696 PolarHBondContact O-N 3.31Å; V696-K699 PolarHBondContact O-N 2.97Å; V696-M700 VanDerWaalsContact O-CB 3.24Å; V696-M700 WeakPolarHBondContact O-CB 3.37Å; V696-M700 PolarHBondContact O-N 2.88Å |
| 697 | A | 79.6 | Confident | 81.7 | Confident | 60 Ų | 60 | 97 Ų | 97 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66 | -45.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q693 H694 E695 K699 M700 E701 | Q693-A697 WeakPolarHBondContact O-CB 3.15Å; Q693-A697 PolarHBondContact O-N 2.86Å; H694-A697 PolarHBondContact O-N 2.88Å; E695-A697 VanDerWaalsContact C-N 3.33Å; E695-A697 PolarHBondContact O-N 2.86Å; A697-K699 VanDerWaalsContact C-N 3.34Å; A697-K699 PolarHBondContact O-N 2.95Å; A697-M700 PolarHBondContact O-N 2.96Å; A697-E701 PolarHBondContact O-N 3.45Å |
| 698 | S | 83.2 | Confident | 81.4 | Confident | 55 Ų | 55 | 98.5 Ų | 98.5 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 174.1 | -169 | 0 | 0 | 0 | 0 | 111.6 | H694 E695 E701 E702 | H694-S698 WeakPolarHBondContact O-CB 3.3Å; H694-S698 PolarHBondContact O-N 2.96Å; E695-S698 PolarHBondContact O-N 2.85Å; S698-E701 PolarHBondContact O-N 3.3Å; S698-E702 WeakPolarHBondContact O-CB 3.44Å; S698-E702 WeakPolarHBondContact O-CG 3.43Å; S698-E702 PolarHBondContact O-N 2.87Å |
| 699 | K | 83.8 | Confident | 81.1 | Confident | 89 Ų | 89 | 98.7 Ų | 98.7 | 39% | 0.387 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.6 | -27.5 | 177.3 | -67.1 | -66.5 | 170 | -135.9 | 0 | 112.6 | E695 V696 A697 E702 L703 | E695-K699 HydrophobicContact CG-CG 4.14Å; E695-K699 VanDerWaalsContact O-CB 3.29Å; E695-K699 WeakPolarHBondContact O-CB 3.26Å; E695-K699 WeakPolarHBondContact O-CG 3.35Å; E695-K699 PolarHBondContact O-N 3.46Å; V696-K699 PolarHBondContact O-N 2.97Å; A697-K699 VanDerWaalsContact C-N 3.34Å; A697-K699 PolarHBondContact O-N 2.95Å; K699-E702 WeakPolarHBondContact CD-OE2 3.37Å; K699-E702 IonicContact NZ-OE1 2.78Å; K699-E702 PolarHBondContact NZ-OE1 3.08Å; K699-E702 IonicContact NZ-OE2 2.63Å; K699-E702 PolarHBondContact NZ-OE2 3.39Å; K699-L703 WeakPolarHBondContact O-CB 3.48Å; K699-L703 WeakPolarHBondContact O-CD1 3.3Å; K699-L703 WeakPolarHBondContact O-CG 3.36Å; K699-L703 PolarHBondContact O-N 3.43Å |
| 700 | M | 76.4 | Confident | 80.9 | Confident | 128 Ų | 128 | 97.7 Ų | 97.7 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.9 | -40.6 | 171.5 | -174.2 | 175 | -67.7 | 0 | 0 | 111.4 | V696 A697 L703 K704 | V696-M700 VanDerWaalsContact O-CB 3.24Å; V696-M700 WeakPolarHBondContact O-CB 3.37Å; V696-M700 PolarHBondContact O-N 2.88Å; A697-M700 PolarHBondContact O-N 2.96Å; M700-L703 PolarHBondContact O-N 2.66Å; M700-K704 WeakPolarHBondContact O-CB 3.37Å; M700-K704 PolarHBondContact O-N 3.33Å |
| 701 | E | 79.9 | Confident | 80.5 | Confident | 89 Ų | 89 | 99.3 Ų | 99.3 | 42% | 0.416 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73 | -37.9 | 175.3 | -165.2 | 61.6 | -158.4 | 0 | 0 | 111.7 | A697 S698 L703 K704 I705 | A697-E701 PolarHBondContact O-N 3.45Å; S698-E701 PolarHBondContact O-N 3.3Å; E701-L703 PolarHBondContact O-N 2.85Å; E701-K704 WeakPolarHBondContact O-CB 3.4Å; E701-K704 PolarHBondContact O-N 2.88Å; E701-K704 IonicContact OE1-NZ 2.83Å; E701-K704 PolarHBondContact OE1-NZ 3.27Å; E701-K704 IonicContact OE2-NZ 2.62Å; E701-K704 PolarHBondContact OE2-NZ 3.47Å; E701-I705 WeakPolarHBondContact O-CG1 3.3Å; E701-I705 PolarHBondContact O-N 3.33Å |
| 702 | E | 79.8 | Confident | 79.9 | Confident | 75 Ų | 75 | 96.5 Ų | 96.5 | 35% | 0.35 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 167 | -77.2 | 173.6 | -131.8 | 0 | 0 | 111.6 | S698 K699 K704 I705 L706 | S698-E702 WeakPolarHBondContact O-CB 3.44Å; S698-E702 WeakPolarHBondContact O-CG 3.43Å; S698-E702 PolarHBondContact O-N 2.87Å; K699-E702 WeakPolarHBondContact CD-OE2 3.37Å; K699-E702 IonicContact NZ-OE1 2.78Å; K699-E702 PolarHBondContact NZ-OE1 3.08Å; K699-E702 IonicContact NZ-OE2 2.63Å; K699-E702 PolarHBondContact NZ-OE2 3.39Å; E702-K704 VanDerWaalsContact C-N 3.28Å; E702-K704 PolarHBondContact O-N 3.11Å; E702-I705 PolarHBondContact O-N 2.96Å; E702-L706 VanDerWaalsContact O-CB 3.24Å; E702-L706 WeakPolarHBondContact O-CB 3.48Å; E702-L706 VanDerWaalsContact O-CG 3.23Å; E702-L706 WeakPolarHBondContact O-CG 3.41Å; E702-L706 PolarHBondContact O-N 3.26Å |
| 703 | L | 80.4 | Confident | 79.4 | Confident | 117 Ų | 117 | 95.4 Ų | 95.4 | 61% | 0.613 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.4 | -30.1 | 176.1 | -81.6 | 168.9 | 0 | 0 | 0 | 112.6 | K699 M700 E701 L706 S707 | K699-L703 WeakPolarHBondContact O-CB 3.48Å; K699-L703 WeakPolarHBondContact O-CD1 3.3Å; K699-L703 WeakPolarHBondContact O-CG 3.36Å; K699-L703 PolarHBondContact O-N 3.43Å; M700-L703 PolarHBondContact O-N 2.66Å; E701-L703 PolarHBondContact O-N 2.85Å; L703-L706 CarbonylContact O-C 3.57Å; L703-S707 WeakPolarHBondContact O-CB 3.14Å; L703-S707 PolarHBondContact O-N 2.73Å |
| 704 | K | 79.2 | Confident | 79.1 | Confident | 98 Ų | 98 | 94.5 Ų | 94.5 | 43% | 0.426 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.2 | -46.2 | 174.9 | 175.7 | 160.4 | 150.9 | -95.6 | 0 | 111.2 | M700 E701 E702 L706 S707 E708 | M700-K704 WeakPolarHBondContact O-CB 3.37Å; M700-K704 PolarHBondContact O-N 3.33Å; E701-K704 WeakPolarHBondContact O-CB 3.4Å; E701-K704 PolarHBondContact O-N 2.88Å; E701-K704 IonicContact OE1-NZ 2.83Å; E701-K704 PolarHBondContact OE1-NZ 3.27Å; E701-K704 IonicContact OE2-NZ 2.62Å; E701-K704 PolarHBondContact OE2-NZ 3.47Å; E702-K704 VanDerWaalsContact C-N 3.28Å; E702-K704 PolarHBondContact O-N 3.11Å; K704-L706 VanDerWaalsContact C-N 3.34Å; K704-L706 PolarHBondContact O-N 3.47Å; K704-S707 WeakPolarHBondContact O-CB 3.35Å; K704-S707 PolarHBondContact O-N 3.23Å; K704-S707 VanDerWaalsContact O-N 3.09Å; K704-E708 PolarHBondContact O-N 2.96Å |
| 705 | I | 81.3 | Confident | 78.4 | Confident | 80 Ų | 80 | 90.5 Ų | 90.5 | 41% | 0.41 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.4 | -45 | 170.3 | -66.3 | 163.9 | 0 | 0 | 0 | 110.5 | E701 E702 S707 E708 Q709 | E701-I705 WeakPolarHBondContact O-CG1 3.3Å; E701-I705 PolarHBondContact O-N 3.33Å; E702-I705 PolarHBondContact O-N 2.96Å; I705-S707 VanDerWaalsContact C-N 3.28Å; I705-S707 PolarHBondContact O-N 3.34Å; I705-E708 PolarHBondContact O-N 3.47Å; I705-Q709 WeakPolarHBondContact O-CB 3.39Å; I705-Q709 VanDerWaalsContact O-CG 3.3Å; I705-Q709 WeakPolarHBondContact O-CG 3.43Å; I705-Q709 PolarHBondContact O-N 2.87Å |
| 706 | L | 82.4 | Confident | 77.7 | Confident | 77 Ų | 77 | 89.9 Ų | 89.9 | 40% | 0.403 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.4 | -25.1 | 175.4 | -74.5 | 167.5 | 0 | 0 | 0 | 112.7 | E702 L703 K704 N710 | E702-L706 VanDerWaalsContact O-CB 3.24Å; E702-L706 WeakPolarHBondContact O-CB 3.48Å; E702-L706 VanDerWaalsContact O-CG 3.23Å; E702-L706 WeakPolarHBondContact O-CG 3.41Å; E702-L706 PolarHBondContact O-N 3.26Å; L703-L706 CarbonylContact O-C 3.57Å; K704-L706 VanDerWaalsContact C-N 3.34Å; K704-L706 PolarHBondContact O-N 3.47Å; L706-N710 WeakPolarHBondContact O-CB 3.35Å; L706-N710 PolarHBondContact O-N 3.04Å; L706-N710 PolarHBondContact O-ND2 3.26Å |
| 707 | S | 77.5 | Confident | 77 | Confident | 62 Ų | 62 | 89.4 Ų | 89.4 | 43% | 0.434 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76 | -39.8 | 174.1 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | L703 K704 I705 N710 K711 | L703-S707 WeakPolarHBondContact O-CB 3.14Å; L703-S707 PolarHBondContact O-N 2.73Å; K704-S707 WeakPolarHBondContact O-CB 3.35Å; K704-S707 PolarHBondContact O-N 3.23Å; K704-S707 VanDerWaalsContact O-N 3.09Å; I705-S707 VanDerWaalsContact C-N 3.28Å; I705-S707 PolarHBondContact O-N 3.34Å; S707-N710 PolarHBondContact O-N 2.82Å; S707-K711 PolarHBondContact O-N 2.69Å |
| 708 | E | 78.7 | Confident | 76.2 | Confident | 121 Ų | 121 | 94 Ų | 94 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.4 | -42.3 | 172.4 | -69.5 | 172.9 | -171.5 | 0 | 0 | 111.1 | K704 I705 K711 A712 | K704-E708 PolarHBondContact O-N 2.96Å; I705-E708 PolarHBondContact O-N 3.47Å; E708-K711 PolarHBondContact O-N 3.35Å; E708-A712 PolarHBondContact O-N 2.79Å |
| 709 | Q | 80.4 | Confident | 75 | Confident | 98 Ų | 98 | 97.6 Ų | 97.6 | 46% | 0.458 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 169.6 | -71.1 | 177.5 | 3.6 | 0 | 0 | 112.3 | I705 K711 A712 L713 | I705-Q709 WeakPolarHBondContact O-CB 3.39Å; I705-Q709 VanDerWaalsContact O-CG 3.3Å; I705-Q709 WeakPolarHBondContact O-CG 3.43Å; I705-Q709 PolarHBondContact O-N 2.87Å; Q709-K711 VanDerWaalsContact C-N 3.34Å; Q709-A712 PolarHBondContact O-N 3.39Å; Q709-L713 VanDerWaalsContact O-CB 3.32Å; Q709-L713 WeakPolarHBondContact O-CB 3.31Å; Q709-L713 WeakPolarHBondContact O-CG 3.38Å; Q709-L713 PolarHBondContact O-N 3.24Å |
| 710 | N | 76.5 | Confident | 73.7 | Confident | 85 Ų | 85 | 98.5 Ų | 98.5 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70 | -27.9 | 174.1 | -91.6 | -76.5 | 0 | 0 | 0 | 112.7 | L706 S707 Q714 | L706-N710 WeakPolarHBondContact O-CB 3.35Å; L706-N710 PolarHBondContact O-N 3.04Å; L706-N710 PolarHBondContact O-ND2 3.26Å; S707-N710 PolarHBondContact O-N 2.82Å; N710-Q714 WeakPolarHBondContact O-CB 3.31Å; N710-Q714 WeakPolarHBondContact O-CG 3.46Å; N710-Q714 PolarHBondContact O-N 3.13Å |
| 711 | K | 76.9 | Confident | 72.5 | Confident | 145 Ų | 145 | 99.7 Ų | 99.7 | 63% | 0.63 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.4 | -43.3 | 168.3 | -77.6 | 173.4 | 177.7 | 171.3 | 0 | 111.4 | S707 E708 Q709 S715 | S707-K711 PolarHBondContact O-N 2.69Å; E708-K711 PolarHBondContact O-N 3.35Å; Q709-K711 VanDerWaalsContact C-N 3.34Å; K711-S715 PolarHBondContact O-N 2.79Å; K711-S715 VanDerWaalsContact O-N 3.11Å |
| 712 | A | 71.2 | Confident | 71.1 | Confident | 55 Ų | 55 | 101.1 Ų | 101.1 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -50 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E708 Q709 S715 E716 | E708-A712 PolarHBondContact O-N 2.79Å; Q709-A712 PolarHBondContact O-N 3.39Å; A712-S715 WeakPolarHBondContact O-CA 3.42Å; A712-S715 WeakPolarHBondContact O-CB 3.37Å; A712-S715 PolarHBondContact O-N 3.06Å; A712-S715 VanDerWaalsContact O-N 3.12Å; A712-S715 PolarHBondContact O-OG 3.45Å; A712-E716 PolarHBondContact O-N 2.87Å |
| 713 | L | 75.4 | Confident | 69.7 | Low | 85 Ų | 85 | 101.2 Ų | 101.2 | 45% | 0.445 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.6 | -33.2 | 178 | -73.1 | 169.4 | 0 | 0 | 0 | 112.7 | Q709 S715 E716 V717 | Q709-L713 VanDerWaalsContact O-CB 3.32Å; Q709-L713 WeakPolarHBondContact O-CB 3.31Å; Q709-L713 WeakPolarHBondContact O-CG 3.38Å; Q709-L713 PolarHBondContact O-N 3.24Å; L713-S715 VanDerWaalsContact C-N 3.29Å; L713-S715 PolarHBondContact O-N 3.45Å; L713-E716 CarbonylContact O-C 3.54Å; L713-E716 WeakPolarHBondContact O-CA 3.32Å; L713-E716 PolarHBondContact O-N 2.96Å; L713-V717 WeakPolarHBondContact O-CB 3.32Å; L713-V717 WeakPolarHBondContact O-CG2 3.41Å; L713-V717 PolarHBondContact O-N 3.49Å |
| 714 | Q | 72.4 | Confident | 68.1 | Low | 131 Ų | 131 | 101.6 Ų | 101.6 | 61% | 0.612 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.4 | -38 | 170.2 | -83.3 | -179 | -9.5 | 0 | 0 | 110.9 | N710 E716 Q718 | N710-Q714 WeakPolarHBondContact O-CB 3.31Å; N710-Q714 WeakPolarHBondContact O-CG 3.46Å; N710-Q714 PolarHBondContact O-N 3.13Å; Q714-E716 PolarHBondContact O-N 3.07Å; Q714-E716 VanDerWaalsContact O-N 3.12Å; Q714-Q718 WeakPolarHBondContact O-CB 3.47Å; Q714-Q718 PolarHBondContact O-N 3.28Å |
| 715 | S | 66 | Low | 66.5 | Low | 59 Ų | 59 | 101.9 Ų | 101.9 | 41% | 0.413 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.8 | -7.6 | 172.5 | 90.5 | 0 | 0 | 0 | 0 | 114 | K711 A712 L713 K719 | K711-S715 PolarHBondContact O-N 2.79Å; K711-S715 VanDerWaalsContact O-N 3.11Å; A712-S715 WeakPolarHBondContact O-CA 3.42Å; A712-S715 WeakPolarHBondContact O-CB 3.37Å; A712-S715 PolarHBondContact O-N 3.06Å; A712-S715 VanDerWaalsContact O-N 3.12Å; A712-S715 PolarHBondContact O-OG 3.45Å; L713-S715 VanDerWaalsContact C-N 3.29Å; L713-S715 PolarHBondContact O-N 3.45Å; S715-K719 WeakPolarHBondContact O-CD 3.42Å; S715-K719 WeakPolarHBondContact O-CE 3.23Å; S715-K719 WeakPolarHBondContact O-CG 3.38Å; S715-K719 PolarHBondContact O-NZ 3.36Å |
| 716 | E | 69.9 | Low | 64.5 | Low | 98 Ų | 98 | 106.6 Ų | 106.6 | 46% | 0.458 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -113.8 | -40.2 | -177.6 | -168.2 | 151.2 | -116.9 | 0 | 0 | 112 | A712 L713 Q714 Q718 K719 L720 | A712-E716 PolarHBondContact O-N 2.87Å; L713-E716 CarbonylContact O-C 3.54Å; L713-E716 WeakPolarHBondContact O-CA 3.32Å; L713-E716 PolarHBondContact O-N 2.96Å; Q714-E716 PolarHBondContact O-N 3.07Å; Q714-E716 VanDerWaalsContact O-N 3.12Å; E716-Q718 VanDerWaalsContact C-N 3.27Å; E716-Q718 PolarHBondContact O-N 2.86Å; E716-K719 CarbonylContact O-C 3.47Å; E716-K719 WeakPolarHBondContact O-CA 3.22Å; E716-K719 VanDerWaalsContact O-CB 3.3Å; E716-K719 WeakPolarHBondContact O-CB 3.46Å; E716-K719 PolarHBondContact O-N 3.19Å; E716-L720 HydrophobicContact CG-CD1 4.24Å; E716-L720 WeakPolarHBondContact O-CG 3.42Å; E716-L720 PolarHBondContact O-N 2.87Å |
| 717 | V | 65.5 | Low | 62.3 | Low | 70 Ų | 70 | 111.5 Ų | 111.5 | 42% | 0.424 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61 | -36 | 164.3 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | L713 K719 L720 Q721 | L713-V717 WeakPolarHBondContact O-CB 3.32Å; L713-V717 WeakPolarHBondContact O-CG2 3.41Å; L713-V717 PolarHBondContact O-N 3.49Å; V717-K719 PolarHBondContact O-N 2.61Å; V717-L720 PolarHBondContact O-N 3.12Å; V717-Q721 HydrophobicContact CG1-CB 4.28Å; V717-Q721 WeakPolarHBondContact O-CB 3.32Å; V717-Q721 PolarHBondContact O-N 2.75Å |
| 718 | Q | 64.3 | Low | 61.3 | Low | 158 Ų | 158 | 114.3 Ų | 114.3 | 74% | 0.738 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.7 | -16.1 | 171.8 | -164.3 | 172.5 | 35.1 | 0 | 0 | 113.2 | Q714 E716 T722 | Q714-Q718 WeakPolarHBondContact O-CB 3.47Å; Q714-Q718 PolarHBondContact O-N 3.28Å; E716-Q718 VanDerWaalsContact C-N 3.27Å; E716-Q718 PolarHBondContact O-N 2.86Å; Q718-T722 PolarHBondContact O-OG1 3.45Å |
| 719 | K | 56.4 | Low | 59.6 | Low | 129 Ų | 129 | 116.5 Ų | 116.5 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -89.6 | -37.8 | 168.7 | -55.6 | 170.1 | -174.4 | 119.6 | 0 | 112 | S715 E716 V717 T722 | S715-K719 WeakPolarHBondContact O-CD 3.42Å; S715-K719 WeakPolarHBondContact O-CE 3.23Å; S715-K719 WeakPolarHBondContact O-CG 3.38Å; S715-K719 PolarHBondContact O-NZ 3.36Å; E716-K719 CarbonylContact O-C 3.47Å; E716-K719 WeakPolarHBondContact O-CA 3.22Å; E716-K719 VanDerWaalsContact O-CB 3.3Å; E716-K719 WeakPolarHBondContact O-CB 3.46Å; E716-K719 PolarHBondContact O-N 3.19Å; V717-K719 PolarHBondContact O-N 2.61Å; K719-T722 WeakPolarHBondContact O-CB 3.27Å; K719-T722 PolarHBondContact O-OG1 3.2Å |
| 720 | L | 57.7 | Low | 57.7 | Low | 108 Ų | 108 | 119.9 Ų | 119.9 | 57% | 0.565 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -86.1 | -29.1 | -174.1 | -68.4 | 170.7 | 0 | 0 | 0 | 114 | E716 V717 T722 A723 | E716-L720 HydrophobicContact CG-CD1 4.24Å; E716-L720 WeakPolarHBondContact O-CG 3.42Å; E716-L720 PolarHBondContact O-N 2.87Å; V717-L720 PolarHBondContact O-N 3.12Å; L720-T722 PolarHBondContact O-N 3.37Å; L720-A723 WeakPolarHBondContact O-CB 3.29Å; L720-A723 PolarHBondContact O-N 2.83Å |
| 721 | Q | 51.4 | Low | 56 | Low | 153 Ų | 153 | 123.2 Ų | 123.2 | 72% | 0.715 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -11.2 | 175.4 | -165 | 165.5 | 5 | 0 | 0 | 112 | V717 A723 | V717-Q721 HydrophobicContact CG1-CB 4.28Å; V717-Q721 WeakPolarHBondContact O-CB 3.32Å; V717-Q721 PolarHBondContact O-N 2.75Å; Q721-A723 PolarHBondContact O-N 3.32Å |
| 722 | T | 50.2 | Low | 54.6 | Low | 119 Ų | 119 | 122.6 Ų | 122.6 | 73% | 0.73 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -15.9 | 163 | -36.4 | 0 | 0 | 0 | 0 | 112.8 | Q718 K719 L720 | Q718-T722 PolarHBondContact O-OG1 3.45Å; K719-T722 WeakPolarHBondContact O-CB 3.27Å; K719-T722 PolarHBondContact O-OG1 3.2Å; L720-T722 PolarHBondContact O-N 3.37Å |
| 723 | A | 50.5 | Low | 53.7 | Low | 78 Ų | 78 | 125.8 Ų | 125.8 | 65% | 0.645 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | -20.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | L720 Q721 | L720-A723 WeakPolarHBondContact O-CB 3.29Å; L720-A723 PolarHBondContact O-N 2.83Å; Q721-A723 PolarHBondContact O-N 3.32Å |
| 724 | V | 46.9 | Very low | 52.6 | Low | 125 Ų | 125 | 130.9 Ų | 130.9 | 76% | 0.758 | 70% | 0.7 | S | S | * | * | trans | -131.1 | 90.2 | -168.6 | -167.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 725 | S | 44.3 | Very low | 51.4 | Low | 103 Ų | 103 | 133.2 Ų | 133.2 | 72% | 0.72 | 71% | 0.711 | S | S | * | * | trans | -131.3 | 91.2 | 174.5 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 726 | Q | 39.7 | Very low | 50.7 | Low | 180 Ų | 180 | 137.5 Ų | 137.5 | 84% | 0.841 | 73% | 0.726 | S | S | * | * | trans | -167.2 | 130.4 | 167.8 | -110.8 | 140 | 96.9 | 0 | 0 | 116.1 | ||||
| 727 | Q | 36.6 | Very low | 49.9 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | trans | 69.7 | 135.9 | 144.7 | -86.9 | 176.1 | -33.5 | 0 | 0 | 125.7 | ||||
| 728 | P | 56.6 | Low | 49.5 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | trans | -126.4 | 178.9 | 160.4 | 42.8 | -30.9 | 0 | 0 | 0 | 113.8 | ||||
| 729 | N | 43.1 | Very low | 49.3 | Very low | 166 Ų | 166 | 143 Ų | 143 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | trans | -161.4 | -178.4 | 155.7 | -134.2 | -10.1 | 0 | 0 | 0 | 117.5 | ||||
| 730 | K | 39.2 | Very low | 49.6 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 74% | 0.739 | 75% | 0.75 | S | S | * | * | trans | -158.1 | 133.5 | -160.2 | 159.1 | -153.8 | 174.8 | -166.6 | 0 | 111.5 | ||||
| 731 | D | 41.9 | Very low | 49.8 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | -176.4 | 109 | 160.1 | -95.4 | -27.6 | 0 | 0 | 0 | 114.8 | ||||
| 732 | V | 47.8 | Very low | 50.2 | Low | 132 Ų | 132 | 144.5 Ų | 144.5 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | -151.9 | -18.5 | 170.9 | -173.7 | 0 | 0 | 0 | 0 | 114.5 | E734 | V732-E734 VanDerWaalsContact C-N 3.31Å; V732-E734 PolarHBondContact O-N 2.96Å; V732-E734 VanDerWaalsContact O-N 3.08Å | ||
| 733 | V | 50.8 | Low | 51.2 | Low | 123 Ų | 123 | 145.4 Ų | 145.4 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -65 | -22.5 | -157.6 | 178.6 | 0 | 0 | 0 | 0 | 115.8 | Q735 | V733-Q735 VanDerWaalsContact C-N 3.33Å; V733-Q735 PolarHBondContact O-N 2.96Å |
| 734 | E | 53.1 | Low | 52.1 | Low | 191 Ų | 191 | 145.7 Ų | 145.7 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -76.4 | -5.9 | -162.4 | -151.2 | 167 | -145.7 | 0 | 0 | 115.8 | V732 | V732-E734 VanDerWaalsContact C-N 3.31Å; V732-E734 PolarHBondContact O-N 2.96Å; V732-E734 VanDerWaalsContact O-N 3.08Å |
| 735 | Q | 47.3 | Very low | 53 | Low | 180 Ų | 180 | 146.5 Ų | 146.5 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -83.1 | -20 | 180 | -74.8 | -166.1 | -10.6 | 0 | 0 | 115.3 | V733 E737 | V733-Q735 VanDerWaalsContact C-N 3.33Å; V733-Q735 PolarHBondContact O-N 2.96Å; Q735-E737 PolarHBondContact O-N 3.21Å |
| 736 | M | 50.8 | Low | 54.1 | Low | 149 Ų | 149 | 148.1 Ų | 148.1 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -75.6 | -27.7 | -163 | -168.9 | 164.3 | 64.2 | 0 | 0 | 114.4 | K738 | M736-K738 VanDerWaalsContact C-N 3.33Å; M736-K738 PolarHBondContact O-N 3.05Å |
| 737 | E | 54.5 | Low | 55.7 | Low | 162 Ų | 162 | 144 Ų | 144 | 76% | 0.757 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -70.9 | -25.8 | -165 | -160.4 | 157.6 | -140.1 | 0 | 0 | 113.8 | Q735 C739 | Q735-E737 PolarHBondContact O-N 3.21Å; E737-C739 VanDerWaalsContact C-N 3.29Å; E737-C739 PolarHBondContact O-N 3.42Å |
| 738 | K | 55.6 | Low | 57.4 | Low | 200 Ų | 200 | 142.2 Ų | 142.2 | 87% | 0.87 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -78.5 | -6.7 | -175.3 | -149.2 | 171.1 | -173.2 | 175 | 0 | 114.8 | M736 | M736-K738 VanDerWaalsContact C-N 3.33Å; M736-K738 PolarHBondContact O-N 3.05Å |
| 739 | C | 61.1 | Low | 58.1 | Low | 81 Ų | 81 | 140.6 Ų | 140.6 | 55% | 0.547 | 69% | 0.691 | S | S | . | * | G | 310 helix | trans | -84.9 | -14 | -179 | -175.4 | 0 | 0 | 0 | 0 | 113.7 | E737 | E737-C739 VanDerWaalsContact C-N 3.29Å; E737-C739 PolarHBondContact O-N 3.42Å |
| 740 | I | 63.5 | Low | 59.4 | Low | 99 Ų | 99 | 136.2 Ų | 136.2 | 51% | 0.508 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -78.2 | -50.9 | -164.1 | -60.4 | 174.3 | 0 | 0 | 0 | 111.9 | E742 K743 | I740-E742 VanDerWaalsContact C-N 3.27Å; I740-E742 PolarHBondContact O-N 3.49Å; I740-E742 VanDerWaalsContact O-N 3.1Å; I740-K743 PolarHBondContact O-N 3.03Å; I740-K743 VanDerWaalsContact O-N 3.16Å |
| 741 | Q | 60.5 | Low | 61.2 | Low | 165 Ų | 165 | 132.9 Ų | 132.9 | 77% | 0.771 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -22.3 | -167.2 | -67.7 | 177.5 | -32.9 | 0 | 0 | 115.4 | K743 | Q741-K743 VanDerWaalsContact C-N 3.26Å; Q741-K743 PolarHBondContact O-N 3.05Å |
| 742 | E | 61.2 | Low | 62.6 | Low | 156 Ų | 156 | 131.8 Ų | 131.8 | 73% | 0.729 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -3 | -179.3 | -154.5 | -175.4 | -146.2 | 0 | 0 | 113.5 | I740 | I740-E742 VanDerWaalsContact C-N 3.27Å; I740-E742 PolarHBondContact O-N 3.49Å; I740-E742 VanDerWaalsContact O-N 3.1Å |
| 743 | K | 69.4 | Low | 63.8 | Low | 139 Ų | 139 | 131.7 Ų | 131.7 | 60% | 0.604 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -31.8 | 177.6 | -69 | -176.2 | 176.2 | 177.4 | 0 | 113.3 | I740 Q741 E745 K746 L747 | I740-K743 PolarHBondContact O-N 3.03Å; I740-K743 VanDerWaalsContact O-N 3.16Å; Q741-K743 VanDerWaalsContact C-N 3.26Å; Q741-K743 PolarHBondContact O-N 3.05Å; K743-E745 VanDerWaalsContact C-N 3.32Å; K743-E745 PolarHBondContact O-N 2.84Å; K743-K746 PolarHBondContact O-N 3.08Å; K743-K746 VanDerWaalsContact O-N 3.11Å; K743-L747 PolarHBondContact O-N 3.39Å |
| 744 | D | 71.1 | Confident | 64.9 | Low | 84 Ų | 84 | 130.7 Ų | 130.7 | 45% | 0.449 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -69.6 | -26.5 | -165.7 | -57.4 | -29.7 | 0 | 0 | 0 | 113.4 | L747 | D744-L747 WeakPolarHBondContact O-CB 3.41Å; D744-L747 PolarHBondContact O-N 3.29Å |
| 745 | E | 64.1 | Low | 66.1 | Low | 141 Ų | 141 | 128 Ų | 128 | 66% | 0.659 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -76.3 | -26.2 | 175.4 | -60.5 | -161.4 | 124.9 | 0 | 0 | 113.4 | K743 | K743-E745 VanDerWaalsContact C-N 3.32Å; K743-E745 PolarHBondContact O-N 2.84Å |
| 746 | K | 69 | Low | 67.3 | Low | 137 Ų | 137 | 123.7 Ų | 123.7 | 60% | 0.596 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -79.3 | -23.5 | 174 | -69.7 | 166.7 | -175.5 | 147.8 | 0 | 111.8 | K743 T749 V750 | K743-K746 PolarHBondContact O-N 3.08Å; K743-K746 VanDerWaalsContact O-N 3.11Å; K746-T749 PolarHBondContact O-OG1 2.93Å; K746-V750 WeakPolarHBondContact O-CG2 3.38Å |
| 747 | L | 72.7 | Confident | 68.5 | Low | 95 Ų | 95 | 118.2 Ų | 118.2 | 50% | 0.497 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.7 | -46.5 | 174 | -166.1 | 69.6 | 0 | 0 | 0 | 110.8 | K743 D744 T749 V750 E751 | K743-L747 PolarHBondContact O-N 3.39Å; D744-L747 WeakPolarHBondContact O-CB 3.41Å; D744-L747 PolarHBondContact O-N 3.29Å; L747-T749 VanDerWaalsContact C-N 3.3Å; L747-T749 PolarHBondContact O-N 2.97Å; L747-V750 WeakPolarHBondContact O-CA 3.23Å; L747-V750 WeakPolarHBondContact O-CB 3.41Å; L747-V750 PolarHBondContact O-N 3.17Å; L747-E751 HydrophobicContact CG-CG 4.49Å; L747-E751 WeakPolarHBondContact O-CG 3.31Å; L747-E751 PolarHBondContact O-N 3.15Å |
| 748 | R | 73.1 | Confident | 69.7 | Low | 142 Ų | 142 | 115.9 Ų | 115.9 | 54% | 0.536 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -59.4 | -33 | -174.7 | -158.4 | -179.3 | -56.7 | 121.2 | 8.2 | 115.1 | E751 | R748-E751 WeakPolarHBondContact CA-OE2 3.39Å |
| 749 | T | 70.3 | Confident | 70.6 | Confident | 87 Ų | 87 | 111.7 Ų | 111.7 | 53% | 0.534 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -86 | -13.8 | 176.3 | 36.8 | 0 | 0 | 0 | 0 | 113.4 | K746 L747 | K746-T749 PolarHBondContact O-OG1 2.93Å; L747-T749 VanDerWaalsContact C-N 3.3Å; L747-T749 PolarHBondContact O-N 2.97Å |
| 750 | V | 70.9 | Confident | 71.3 | Confident | 74 Ų | 74 | 113 Ų | 113 | 45% | 0.448 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -81.9 | -34 | 167.6 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | K746 L747 L753 L754 | K746-V750 WeakPolarHBondContact O-CG2 3.38Å; L747-V750 WeakPolarHBondContact O-CA 3.23Å; L747-V750 WeakPolarHBondContact O-CB 3.41Å; L747-V750 PolarHBondContact O-N 3.17Å; V750-L753 PolarHBondContact O-N 2.82Å; V750-L754 HydrophobicContact CG1-CD1 3.81Å; V750-L754 HydrophobicContact CG1-CG 4.08Å; V750-L754 WeakPolarHBondContact O-CB 3.28Å; V750-L754 WeakPolarHBondContact O-CG 3.49Å; V750-L754 PolarHBondContact O-N 3.42Å |
| 751 | E | 77.1 | Confident | 71.8 | Confident | 99 Ų | 99 | 112.3 Ų | 112.3 | 46% | 0.463 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.5 | -48.1 | 178.7 | -72.3 | 168.2 | 160.5 | 0 | 0 | 112.8 | L747 R748 L753 L754 E755 | L747-E751 HydrophobicContact CG-CG 4.49Å; L747-E751 WeakPolarHBondContact O-CG 3.31Å; L747-E751 PolarHBondContact O-N 3.15Å; R748-E751 WeakPolarHBondContact CA-OE2 3.39Å; E751-L753 VanDerWaalsContact C-N 3.31Å; E751-L753 PolarHBondContact O-N 3.44Å; E751-L754 PolarHBondContact O-N 2.62Å; E751-L754 VanDerWaalsContact O-N 3.17Å; E751-E755 PolarHBondContact O-N 3.39Å |
| 752 | E | 71.5 | Confident | 72.5 | Confident | 131 Ų | 131 | 107 Ų | 107 | 61% | 0.612 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62 | -35.1 | 177.8 | -64.1 | 179 | 153.4 | 0 | 0 | 113.1 | T756 | E752-T756 PolarHBondContact O-N 2.91Å; E752-T756 PolarHBondContact O-OG1 2.89Å |
| 753 | L | 73.1 | Confident | 73 | Confident | 131 Ų | 131 | 103 Ų | 103 | 69% | 0.686 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -74.8 | -35.2 | 175.9 | -70.6 | 174 | 0 | 0 | 0 | 112.1 | V750 E751 G757 | V750-L753 PolarHBondContact O-N 2.82Å; E751-L753 VanDerWaalsContact C-N 3.31Å; E751-L753 PolarHBondContact O-N 3.44Å; L753-G757 PolarHBondContact O-N 2.93Å |
| 754 | L | 73.5 | Confident | 73.5 | Confident | 102 Ų | 102 | 102.7 Ų | 102.7 | 53% | 0.534 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 173.3 | -76.8 | 173.1 | 0 | 0 | 0 | 111.5 | V750 E751 T756 G757 L758 | V750-L754 HydrophobicContact CG1-CD1 3.81Å; V750-L754 HydrophobicContact CG1-CG 4.08Å; V750-L754 WeakPolarHBondContact O-CB 3.28Å; V750-L754 WeakPolarHBondContact O-CG 3.49Å; V750-L754 PolarHBondContact O-N 3.42Å; E751-L754 PolarHBondContact O-N 2.62Å; E751-L754 VanDerWaalsContact O-N 3.17Å; L754-T756 VanDerWaalsContact C-N 3.35Å; L754-T756 PolarHBondContact O-N 2.78Å; L754-G757 CarbonylContact O-C 3.53Å; L754-G757 PolarHBondContact O-N 2.89Å; L754-G757 VanDerWaalsContact O-N 3.12Å; L754-L758 WeakPolarHBondContact O-CB 3.38Å; L754-L758 VanDerWaalsContact O-CG 3.25Å; L754-L758 WeakPolarHBondContact O-CG 3.42Å; L754-L758 PolarHBondContact O-N 3.32Å |
| 755 | E | 77.8 | Confident | 73.9 | Confident | 133 Ų | 133 | 103.2 Ų | 103.2 | 62% | 0.621 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.5 | -46.1 | 176.8 | -173.7 | 168.8 | -154.4 | 0 | 0 | 111.4 | E751 G757 L758 I759 | E751-E755 PolarHBondContact O-N 3.39Å; E755-G757 VanDerWaalsContact C-N 3.29Å; E755-G757 PolarHBondContact O-N 3.04Å; E755-L758 PolarHBondContact O-N 3.3Å; E755-I759 WeakPolarHBondContact O-CG1 3.19Å; E755-I759 PolarHBondContact O-N 3.08Å |
| 756 | T | 72.2 | Confident | 74.5 | Confident | 90 Ų | 90 | 103.1 Ų | 103.1 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.8 | -37.4 | 174.6 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | E752 L754 | E752-T756 PolarHBondContact O-N 2.91Å; E752-T756 PolarHBondContact O-OG1 2.89Å; L754-T756 VanDerWaalsContact C-N 3.35Å; L754-T756 PolarHBondContact O-N 2.78Å |
| 757 | G | 76.1 | Confident | 75.1 | Confident | 34 Ų | 34 | 102.3 Ų | 102.3 | 35% | 0.351 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -70.8 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | L753 L754 E755 I759 Q760 V761 | L753-G757 PolarHBondContact O-N 2.93Å; L754-G757 CarbonylContact O-C 3.53Å; L754-G757 PolarHBondContact O-N 2.89Å; L754-G757 VanDerWaalsContact O-N 3.12Å; E755-G757 VanDerWaalsContact C-N 3.29Å; E755-G757 PolarHBondContact O-N 3.04Å; G757-I759 VanDerWaalsContact C-N 3.32Å; G757-I759 PolarHBondContact O-N 3.11Å; G757-Q760 WeakPolarHBondContact O-CB 3.27Å; G757-Q760 PolarHBondContact O-N 2.92Å; G757-Q760 VanDerWaalsContact O-N 3.13Å; G757-V761 WeakPolarHBondContact O-CG2 3.35Å; G757-V761 PolarHBondContact O-N 3Å |
| 758 | L | 79.6 | Confident | 75.5 | Confident | 114 Ų | 114 | 101.9 Ų | 101.9 | 60% | 0.597 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -37.8 | -179.1 | -76.4 | 166.7 | 0 | 0 | 0 | 111.9 | L754 E755 Q760 V761 A762 | L754-L758 WeakPolarHBondContact O-CB 3.38Å; L754-L758 VanDerWaalsContact O-CG 3.25Å; L754-L758 WeakPolarHBondContact O-CG 3.42Å; L754-L758 PolarHBondContact O-N 3.32Å; E755-L758 PolarHBondContact O-N 3.3Å; L758-Q760 VanDerWaalsContact C-N 3.34Å; L758-Q760 PolarHBondContact O-N 3.35Å; L758-V761 PolarHBondContact O-N 3.08Å; L758-V761 VanDerWaalsContact O-N 3.16Å; L758-A762 PolarHBondContact O-N 2.98Å |
| 759 | I | 75.8 | Confident | 75.8 | Confident | 111 Ų | 111 | 97.7 Ų | 97.7 | 57% | 0.569 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60 | -44.2 | 174 | -65.4 | 166.5 | 0 | 0 | 0 | 110.6 | E755 G757 V761 A762 T763 | E755-I759 WeakPolarHBondContact O-CG1 3.19Å; E755-I759 PolarHBondContact O-N 3.08Å; G757-I759 VanDerWaalsContact C-N 3.32Å; G757-I759 PolarHBondContact O-N 3.11Å; I759-V761 VanDerWaalsContact C-N 3.32Å; I759-V761 PolarHBondContact O-N 3.24Å; I759-A762 PolarHBondContact O-N 2.99Å; I759-T763 PolarHBondContact O-N 3.1Å; I759-T763 VanDerWaalsContact O-N 3.14Å; I759-T763 PolarHBondContact O-OG1 2.95Å; I759-T763 VanDerWaalsContact O-OG1 3.11Å |
| 760 | Q | 74.7 | Confident | 76.3 | Confident | 109 Ų | 109 | 96 Ų | 96 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.9 | -25.7 | 175.6 | -81.9 | -158.2 | 37.7 | 0 | 0 | 114.6 | G757 L758 R764 | G757-Q760 WeakPolarHBondContact O-CB 3.27Å; G757-Q760 PolarHBondContact O-N 2.92Å; G757-Q760 VanDerWaalsContact O-N 3.13Å; L758-Q760 VanDerWaalsContact C-N 3.34Å; L758-Q760 PolarHBondContact O-N 3.35Å; Q760-R764 PolarHBondContact O-NH1 3.44Å |
| 761 | V | 73.3 | Confident | 76.7 | Confident | 85 Ų | 85 | 96.7 Ų | 96.7 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -73.9 | -44.1 | 172.7 | 172.7 | 0 | 0 | 0 | 0 | 109.7 | G757 L758 I759 T763 R764 E765 | G757-V761 WeakPolarHBondContact O-CG2 3.35Å; G757-V761 PolarHBondContact O-N 3Å; L758-V761 PolarHBondContact O-N 3.08Å; L758-V761 VanDerWaalsContact O-N 3.16Å; I759-V761 VanDerWaalsContact C-N 3.32Å; I759-V761 PolarHBondContact O-N 3.24Å; V761-T763 PolarHBondContact O-N 3.39Å; V761-R764 PolarHBondContact O-N 3.39Å; V761-R764 VanDerWaalsContact O-N 3.16Å; V761-E765 WeakPolarHBondContact O-CB 3.18Å; V761-E765 PolarHBondContact O-N 2.88Å |
| 762 | A | 75.3 | Confident | 77 | Confident | 52 Ų | 52 | 98.4 Ų | 98.4 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.8 | -45.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L758 I759 R764 E765 E766 | L758-A762 PolarHBondContact O-N 2.98Å; I759-A762 PolarHBondContact O-N 2.99Å; A762-R764 VanDerWaalsContact C-N 3.32Å; A762-R764 PolarHBondContact O-N 3.33Å; A762-E765 WeakPolarHBondContact O-CB 3.4Å; A762-E765 PolarHBondContact O-N 3.48Å; A762-E765 VanDerWaalsContact O-N 3.16Å; A762-E766 PolarHBondContact O-N 2.85Å |
| 763 | T | 72.7 | Confident | 77.5 | Confident | 72 Ų | 72 | 96.2 Ų | 96.2 | 44% | 0.442 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -39.7 | 176.6 | -46.2 | 0 | 0 | 0 | 0 | 112.5 | I759 V761 E766 E767 | I759-T763 PolarHBondContact O-N 3.1Å; I759-T763 VanDerWaalsContact O-N 3.14Å; I759-T763 PolarHBondContact O-OG1 2.95Å; I759-T763 VanDerWaalsContact O-OG1 3.11Å; V761-T763 PolarHBondContact O-N 3.39Å; T763-E766 PolarHBondContact O-N 3.44Å; T763-E767 PolarHBondContact O-N 3.21Å |
| 764 | R | 80.2 | Confident | 78 | Confident | 133 Ų | 133 | 95.9 Ų | 95.9 | 50% | 0.502 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74.8 | -28.5 | 176.6 | -70.9 | -176.3 | -179.7 | 93 | -5.1 | 113.2 | Q760 V761 A762 L768 | Q760-R764 PolarHBondContact O-NH1 3.44Å; V761-R764 PolarHBondContact O-N 3.39Å; V761-R764 VanDerWaalsContact O-N 3.16Å; A762-R764 VanDerWaalsContact C-N 3.32Å; A762-R764 PolarHBondContact O-N 3.33Å; R764-L768 WeakPolarHBondContact O-CB 3.46Å; R764-L768 VanDerWaalsContact O-CG 3.29Å; R764-L768 WeakPolarHBondContact O-CG 3.39Å; R764-L768 PolarHBondContact O-N 2.95Å |
| 765 | E | 78.5 | Confident | 78.1 | Confident | 95 Ų | 95 | 95.2 Ų | 95.2 | 44% | 0.444 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 172.1 | -173 | 83.1 | -111.8 | 0 | 0 | 110.5 | V761 A762 L768 S769 R772 | V761-E765 WeakPolarHBondContact O-CB 3.18Å; V761-E765 PolarHBondContact O-N 2.88Å; A762-E765 WeakPolarHBondContact O-CB 3.4Å; A762-E765 PolarHBondContact O-N 3.48Å; A762-E765 VanDerWaalsContact O-N 3.16Å; E765-L768 PolarHBondContact O-N 2.83Å; E765-S769 WeakPolarHBondContact O-CB 3.49Å; E765-S769 PolarHBondContact O-N 3.41Å; E765-R772 IonicContact OE1-CZ 2.86Å; E765-R772 VanDerWaalsContact OE1-CZ 3.25Å; E765-R772 IonicContact OE1-NH1 2.78Å; E765-R772 PolarHBondContact OE1-NH1 3.36Å; E765-R772 IonicContact OE1-NH2 3.21Å; E765-R772 PolarHBondContact OE1-NH2 2.85Å |
| 766 | E | 77.7 | Confident | 78.4 | Confident | 139 Ų | 139 | 91.1 Ų | 91.1 | 65% | 0.65 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63.3 | -47.5 | 172.8 | -71.1 | -174.8 | 148.5 | 0 | 0 | 111.9 | A762 T763 L768 S769 A770 | A762-E766 PolarHBondContact O-N 2.85Å; T763-E766 PolarHBondContact O-N 3.44Å; E766-L768 PolarHBondContact O-N 3.06Å; E766-S769 WeakPolarHBondContact O-CB 3.31Å; E766-S769 PolarHBondContact O-N 3.49Å; E766-S769 VanDerWaalsContact O-N 3.07Å; E766-S769 PolarHBondContact O-OG 3.14Å; E766-A770 PolarHBondContact O-N 3.27Å; E766-A770 VanDerWaalsContact O-N 3.08Å |
| 767 | E | 80.7 | Confident | 78.9 | Confident | 121 Ų | 121 | 89.4 Ų | 89.4 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -57.1 | -46.6 | 173.6 | -70 | 175.7 | 161.3 | 0 | 0 | 111.8 | T763 S769 A770 I771 | T763-E767 PolarHBondContact O-N 3.21Å; E767-S769 VanDerWaalsContact C-N 3.3Å; E767-S769 PolarHBondContact O-N 3.03Å; E767-A770 PolarHBondContact O-N 3.37Å; E767-I771 WeakPolarHBondContact O-CG1 3.47Å; E767-I771 PolarHBondContact O-N 3.06Å; E767-I771 VanDerWaalsContact O-N 3.16Å |
| 768 | L | 80.4 | Confident | 79.2 | Confident | 86 Ų | 86 | 91.9 Ų | 91.9 | 45% | 0.45 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.1 | -31.8 | 175 | -75.2 | 169.6 | 0 | 0 | 0 | 112.4 | R764 E765 E766 I771 R772 | R764-L768 WeakPolarHBondContact O-CB 3.46Å; R764-L768 VanDerWaalsContact O-CG 3.29Å; R764-L768 WeakPolarHBondContact O-CG 3.39Å; R764-L768 PolarHBondContact O-N 2.95Å; E765-L768 PolarHBondContact O-N 2.83Å; E766-L768 PolarHBondContact O-N 3.06Å; L768-I771 PolarHBondContact O-N 2.94Å; L768-R772 WeakPolarHBondContact O-CB 3.34Å; L768-R772 WeakPolarHBondContact O-CG 3.48Å; L768-R772 PolarHBondContact O-N 3.39Å |
| 769 | S | 80.1 | Confident | 79.2 | Confident | 53 Ų | 53 | 90 Ų | 90 | 37% | 0.371 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.3 | -38.6 | 176 | 84.6 | 0 | 0 | 0 | 0 | 111.9 | E765 E766 E767 R772 T773 | E765-S769 WeakPolarHBondContact O-CB 3.49Å; E765-S769 PolarHBondContact O-N 3.41Å; E766-S769 WeakPolarHBondContact O-CB 3.31Å; E766-S769 PolarHBondContact O-N 3.49Å; E766-S769 VanDerWaalsContact O-N 3.07Å; E766-S769 PolarHBondContact O-OG 3.14Å; E767-S769 VanDerWaalsContact C-N 3.3Å; E767-S769 PolarHBondContact O-N 3.03Å; S769-R772 PolarHBondContact O-N 2.83Å; S769-T773 WeakPolarHBondContact O-CG2 3.5Å; S769-T773 PolarHBondContact O-N 2.77Å; S769-T773 PolarHBondContact O-OG1 2.85Å |
| 770 | A | 80.1 | Confident | 79.6 | Confident | 53 Ų | 53 | 90.9 Ų | 90.9 | 44% | 0.438 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E766 E767 R772 T773 E774 | E766-A770 PolarHBondContact O-N 3.27Å; E766-A770 VanDerWaalsContact O-N 3.08Å; E767-A770 PolarHBondContact O-N 3.37Å; A770-R772 VanDerWaalsContact C-N 3.3Å; A770-R772 PolarHBondContact O-N 2.81Å; A770-T773 PolarHBondContact O-N 3.31Å; A770-T773 PolarHBondContact O-OG1 3.2Å; A770-E774 WeakPolarHBondContact O-CB 3.35Å; A770-E774 PolarHBondContact O-N 2.99Å |
| 771 | I | 80 | Confident | 79.9 | Confident | 88 Ų | 88 | 90.7 Ų | 90.7 | 45% | 0.451 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 175.8 | -64 | 167.9 | 0 | 0 | 0 | 111 | E767 L768 N775 | E767-I771 WeakPolarHBondContact O-CG1 3.47Å; E767-I771 PolarHBondContact O-N 3.06Å; E767-I771 VanDerWaalsContact O-N 3.16Å; L768-I771 PolarHBondContact O-N 2.94Å; I771-N775 WeakPolarHBondContact O-CB 3.41Å; I771-N775 PolarHBondContact O-N 2.89Å; I771-N775 PolarHBondContact O-ND2 3.15Å |
| 772 | R | 83.4 | Confident | 80 | Confident | 134 Ų | 134 | 91.2 Ų | 91.2 | 51% | 0.506 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 173.8 | -71.7 | 168.6 | -158.3 | 152.6 | 4.7 | 112.2 | E765 L768 S769 A770 S776 | E765-R772 IonicContact OE1-CZ 2.86Å; E765-R772 VanDerWaalsContact OE1-CZ 3.25Å; E765-R772 IonicContact OE1-NH1 2.78Å; E765-R772 PolarHBondContact OE1-NH1 3.36Å; E765-R772 IonicContact OE1-NH2 3.21Å; E765-R772 PolarHBondContact OE1-NH2 2.85Å; L768-R772 WeakPolarHBondContact O-CB 3.34Å; L768-R772 WeakPolarHBondContact O-CG 3.48Å; L768-R772 PolarHBondContact O-N 3.39Å; S769-R772 PolarHBondContact O-N 2.83Å; A770-R772 VanDerWaalsContact C-N 3.3Å; A770-R772 PolarHBondContact O-N 2.81Å; R772-S776 WeakPolarHBondContact O-CB 3.26Å; R772-S776 PolarHBondContact O-N 3.3Å |
| 773 | T | 82.8 | Confident | 80.1 | Confident | 86 Ų | 86 | 94.9 Ų | 94.9 | 53% | 0.528 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.6 | -37.1 | 180 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | S769 A770 S776 T777 | S769-T773 WeakPolarHBondContact O-CG2 3.5Å; S769-T773 PolarHBondContact O-N 2.77Å; S769-T773 PolarHBondContact O-OG1 2.85Å; A770-T773 PolarHBondContact O-N 3.31Å; A770-T773 PolarHBondContact O-OG1 3.2Å; T773-S776 PolarHBondContact O-N 2.86Å; T773-S776 PolarHBondContact O-OG 3.31Å; T773-T777 PolarHBondContact O-N 2.91Å; T773-T777 VanDerWaalsContact O-N 3.12Å; T773-T777 PolarHBondContact O-OG1 3.44Å |
| 774 | E | 83.3 | Confident | 80.3 | Confident | 123 Ų | 123 | 96.3 Ų | 96.3 | 58% | 0.575 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.8 | -51.8 | 170.4 | -174.4 | 174.4 | -151.2 | 0 | 0 | 111.1 | A770 S776 T777 L778 | A770-E774 WeakPolarHBondContact O-CB 3.35Å; A770-E774 PolarHBondContact O-N 2.99Å; E774-S776 VanDerWaalsContact C-N 3.28Å; E774-S776 PolarHBondContact O-N 3.24Å; E774-T777 WeakPolarHBondContact O-CA 3.36Å; E774-T777 WeakPolarHBondContact O-CB 3.47Å; E774-T777 PolarHBondContact O-N 3.2Å; E774-L778 HydrophobicContact CG-CD1 4.27Å; E774-L778 PolarHBondContact O-N 2.92Å |
| 775 | N | 75.7 | Confident | 80 | Confident | 88 Ų | 88 | 95.7 Ų | 95.7 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59 | -36.7 | 175 | -85.8 | -87.6 | 0 | 0 | 0 | 112.7 | I771 T777 T779 | I771-N775 WeakPolarHBondContact O-CB 3.41Å; I771-N775 PolarHBondContact O-N 2.89Å; I771-N775 PolarHBondContact O-ND2 3.15Å; N775-T777 PolarHBondContact O-N 2.81Å; N775-T779 VanDerWaalsContact O-CB 3.25Å; N775-T779 WeakPolarHBondContact O-CB 3.49Å; N775-T779 PolarHBondContact O-N 3.48Å; N775-T779 PolarHBondContact O-OG1 2.89Å |
| 776 | S | 83 | Confident | 79.5 | Confident | 48 Ų | 48 | 98.3 Ų | 98.3 | 34% | 0.336 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -28.5 | 174.9 | 86.2 | 0 | 0 | 0 | 0 | 112.7 | R772 T773 E774 R780 | R772-S776 WeakPolarHBondContact O-CB 3.26Å; R772-S776 PolarHBondContact O-N 3.3Å; T773-S776 PolarHBondContact O-N 2.86Å; T773-S776 PolarHBondContact O-OG 3.31Å; E774-S776 VanDerWaalsContact C-N 3.28Å; E774-S776 PolarHBondContact O-N 3.24Å; S776-R780 WeakPolarHBondContact O-CB 3.32Å; S776-R780 PolarHBondContact O-N 3.43Å; S776-R780 VanDerWaalsContact O-N 3.16Å; S776-R780 PolarHBondContact O-NH2 2.88Å; S776-R780 PolarHBondContact OG-NH2 3.06Å |
| 777 | T | 84.3 | Confident | 79 | Confident | 54 Ų | 54 | 93.9 Ų | 93.9 | 33% | 0.331 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -85.1 | -44.1 | -177.9 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | T773 E774 N775 T779 R780 E781 | T773-T777 PolarHBondContact O-N 2.91Å; T773-T777 VanDerWaalsContact O-N 3.12Å; T773-T777 PolarHBondContact O-OG1 3.44Å; E774-T777 WeakPolarHBondContact O-CA 3.36Å; E774-T777 WeakPolarHBondContact O-CB 3.47Å; E774-T777 PolarHBondContact O-N 3.2Å; N775-T777 PolarHBondContact O-N 2.81Å; T777-T779 VanDerWaalsContact C-N 3.27Å; T777-T779 PolarHBondContact O-N 3.47Å; T777-R780 WeakPolarHBondContact O-CA 3.34Å; T777-R780 WeakPolarHBondContact O-CB 3.37Å; T777-R780 PolarHBondContact O-N 2.95Å; T777-R780 PolarHBondContact OG1-NH1 3.17Å; T777-R780 VanDerWaalsContact OG1-NH1 3.11Å; T777-E781 PolarHBondContact O-N 3.03Å |
| 778 | L | 82.1 | Confident | 78.4 | Confident | 86 Ų | 86 | 93.6 Ų | 93.6 | 45% | 0.45 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.9 | -40.1 | 167.9 | -66.7 | 170.9 | 0 | 0 | 0 | 111.7 | E774 R780 E781 V782 | E774-L778 HydrophobicContact CG-CD1 4.27Å; E774-L778 PolarHBondContact O-N 2.92Å; L778-R780 VanDerWaalsContact C-N 3.31Å; L778-R780 PolarHBondContact O-N 2.94Å; L778-E781 PolarHBondContact O-N 3.38Å; L778-V782 WeakPolarHBondContact O-CB 3.47Å; L778-V782 VanDerWaalsContact O-CG2 3.27Å; L778-V782 WeakPolarHBondContact O-CG2 3.44Å; L778-V782 PolarHBondContact O-N 3.27Å |
| 779 | T | 79.6 | Confident | 77.3 | Confident | 74 Ų | 74 | 96.7 Ų | 96.7 | 45% | 0.454 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -38.5 | 174.2 | -59.7 | 0 | 0 | 0 | 0 | 111.9 | N775 T777 Q783 | N775-T779 VanDerWaalsContact O-CB 3.25Å; N775-T779 WeakPolarHBondContact O-CB 3.49Å; N775-T779 PolarHBondContact O-N 3.48Å; N775-T779 PolarHBondContact O-OG1 2.89Å; T777-T779 VanDerWaalsContact C-N 3.27Å; T777-T779 PolarHBondContact O-N 3.47Å; T779-Q783 WeakPolarHBondContact O-CB 3.43Å; T779-Q783 WeakPolarHBondContact O-CG 3.25Å; T779-Q783 PolarHBondContact O-N 3.32Å |
| 780 | R | 83 | Confident | 76.1 | Confident | 129 Ų | 129 | 98.2 Ų | 98.2 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.1 | -43.2 | 177.8 | -165.4 | -176.8 | -53.4 | 103 | 12.5 | 111.7 | S776 T777 L778 Q783 E784 | S776-R780 WeakPolarHBondContact O-CB 3.32Å; S776-R780 PolarHBondContact O-N 3.43Å; S776-R780 VanDerWaalsContact O-N 3.16Å; S776-R780 PolarHBondContact O-NH2 2.88Å; S776-R780 PolarHBondContact OG-NH2 3.06Å; T777-R780 WeakPolarHBondContact O-CA 3.34Å; T777-R780 WeakPolarHBondContact O-CB 3.37Å; T777-R780 PolarHBondContact O-N 2.95Å; T777-R780 PolarHBondContact OG1-NH1 3.17Å; T777-R780 VanDerWaalsContact OG1-NH1 3.11Å; L778-R780 VanDerWaalsContact C-N 3.31Å; L778-R780 PolarHBondContact O-N 2.94Å; R780-Q783 PolarHBondContact O-N 2.72Å; R780-E784 WeakPolarHBondContact O-CB 3.26Å; R780-E784 PolarHBondContact O-N 3.34Å |
| 781 | E | 80.9 | Confident | 75 | Confident | 105 Ų | 105 | 102.4 Ų | 102.4 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 174.5 | -71 | 175.7 | -178.6 | 0 | 0 | 111.7 | T777 L778 Q783 E784 L785 | T777-E781 PolarHBondContact O-N 3.03Å; L778-E781 PolarHBondContact O-N 3.38Å; E781-Q783 VanDerWaalsContact C-N 3.35Å; E781-Q783 PolarHBondContact O-N 2.7Å; E781-E784 PolarHBondContact O-N 2.93Å; E781-L785 WeakPolarHBondContact O-CB 3.47Å; E781-L785 VanDerWaalsContact O-CG 3.31Å; E781-L785 WeakPolarHBondContact O-CG 3.45Å; E781-L785 PolarHBondContact O-N 3.42Å |
| 782 | V | 75.5 | Confident | 73.6 | Confident | 96 Ų | 96 | 105.8 Ų | 105.8 | 58% | 0.582 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.5 | -38.9 | 173.2 | 168.5 | 0 | 0 | 0 | 0 | 111.6 | L778 K786 | L778-V782 WeakPolarHBondContact O-CB 3.47Å; L778-V782 VanDerWaalsContact O-CG2 3.27Å; L778-V782 WeakPolarHBondContact O-CG2 3.44Å; L778-V782 PolarHBondContact O-N 3.27Å; V782-K786 VanDerWaalsContact O-CB 3.23Å; V782-K786 WeakPolarHBondContact O-CB 3.44Å; V782-K786 PolarHBondContact O-N 3.47Å |
| 783 | Q | 77.3 | Confident | 71.9 | Confident | 129 Ų | 129 | 103.2 Ų | 103.2 | 60% | 0.603 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.8 | -39 | 173 | -78.2 | 179.2 | -7.8 | 0 | 0 | 112.4 | T779 R780 E781 K786 A787 | T779-Q783 WeakPolarHBondContact O-CB 3.43Å; T779-Q783 WeakPolarHBondContact O-CG 3.25Å; T779-Q783 PolarHBondContact O-N 3.32Å; R780-Q783 PolarHBondContact O-N 2.72Å; E781-Q783 VanDerWaalsContact C-N 3.35Å; E781-Q783 PolarHBondContact O-N 2.7Å; Q783-K786 PolarHBondContact O-N 3Å; Q783-A787 WeakPolarHBondContact O-CB 3.23Å; Q783-A787 PolarHBondContact O-N 3.44Å |
| 784 | E | 77.9 | Confident | 70.7 | Confident | 102 Ų | 102 | 103.9 Ų | 103.9 | 48% | 0.477 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -71.3 | -37.6 | 178.9 | -161.4 | -174.4 | 134.3 | 0 | 0 | 112 | R780 E781 A787 K788 | R780-E784 WeakPolarHBondContact O-CB 3.26Å; R780-E784 PolarHBondContact O-N 3.34Å; E781-E784 PolarHBondContact O-N 2.93Å; E784-A787 PolarHBondContact O-N 3.31Å; E784-K788 WeakPolarHBondContact O-CB 3.47Å; E784-K788 WeakPolarHBondContact O-CG 3.24Å; E784-K788 PolarHBondContact O-N 3.22Å; E784-K788 WeakPolarHBondContact OE1-CE 3.45Å; E784-K788 IonicContact OE1-NZ 2.71Å; E784-K788 PolarHBondContact OE1-NZ 3.16Å |
| 785 | L | 74 | Confident | 69.4 | Low | 121 Ų | 121 | 104 Ų | 104 | 63% | 0.634 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.1 | -40.3 | 169.5 | -73 | 170.4 | 0 | 0 | 0 | 111.4 | E781 K788 Q789 | E781-L785 WeakPolarHBondContact O-CB 3.47Å; E781-L785 VanDerWaalsContact O-CG 3.31Å; E781-L785 WeakPolarHBondContact O-CG 3.45Å; E781-L785 PolarHBondContact O-N 3.42Å; L785-K788 PolarHBondContact O-N 3.03Å; L785-Q789 WeakPolarHBondContact O-CB 3.3Å; L785-Q789 PolarHBondContact O-N 2.96Å |
| 786 | K | 68.7 | Low | 68.9 | Low | 149 Ų | 149 | 104.1 Ų | 104.1 | 65% | 0.648 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.4 | -34.4 | 175.2 | -171.7 | 175.5 | -178.3 | 179.1 | 0 | 112.6 | V782 Q783 Q789 S790 | V782-K786 VanDerWaalsContact O-CB 3.23Å; V782-K786 WeakPolarHBondContact O-CB 3.44Å; V782-K786 PolarHBondContact O-N 3.47Å; Q783-K786 PolarHBondContact O-N 3Å; K786-Q789 PolarHBondContact O-N 3.49Å; K786-S790 PolarHBondContact O-N 3.47Å |
| 787 | A | 65.8 | Low | 68.1 | Low | 46 Ų | 46 | 105 Ų | 105 | 38% | 0.38 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66 | -47.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q783 E784 Q789 S790 D791 | Q783-A787 WeakPolarHBondContact O-CB 3.23Å; Q783-A787 PolarHBondContact O-N 3.44Å; E784-A787 PolarHBondContact O-N 3.31Å; A787-Q789 VanDerWaalsContact C-N 3.26Å; A787-Q789 PolarHBondContact O-N 3.27Å; A787-S790 CarbonylContact O-C 3.59Å; A787-S790 WeakPolarHBondContact O-CA 3.45Å; A787-S790 VanDerWaalsContact O-CB 3.3Å; A787-S790 WeakPolarHBondContact O-CB 3.22Å; A787-S790 PolarHBondContact O-N 2.76Å; A787-D791 PolarHBondContact O-N 2.94Å |
| 788 | K | 67.9 | Low | 67.5 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 50% | 0.5 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.9 | -32.7 | 174.9 | -72.7 | 163.6 | 179.6 | 168.1 | 0 | 112.9 | E784 L785 S790 Q792 | E784-K788 WeakPolarHBondContact O-CB 3.47Å; E784-K788 WeakPolarHBondContact O-CG 3.24Å; E784-K788 PolarHBondContact O-N 3.22Å; E784-K788 WeakPolarHBondContact OE1-CE 3.45Å; E784-K788 IonicContact OE1-NZ 2.71Å; E784-K788 PolarHBondContact OE1-NZ 3.16Å; L785-K788 PolarHBondContact O-N 3.03Å; K788-S790 VanDerWaalsContact C-N 3.33Å; K788-Q792 VanDerWaalsContact O-CB 3.23Å; K788-Q792 WeakPolarHBondContact O-CB 3.22Å; K788-Q792 PolarHBondContact O-N 3.24Å |
| 789 | Q | 58.1 | Low | 67.1 | Low | 152 Ų | 152 | 106.8 Ų | 106.8 | 71% | 0.71 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.4 | -26.5 | 170.5 | -170.6 | -179.3 | 17.2 | 0 | 0 | 113.1 | L785 K786 A787 | L785-Q789 WeakPolarHBondContact O-CB 3.3Å; L785-Q789 PolarHBondContact O-N 2.96Å; K786-Q789 PolarHBondContact O-N 3.49Å; A787-Q789 VanDerWaalsContact C-N 3.26Å; A787-Q789 PolarHBondContact O-N 3.27Å |
| 790 | S | 54.8 | Low | 67 | Low | 85 Ų | 85 | 108.4 Ų | 108.4 | 59% | 0.594 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -81.6 | -35 | 175.5 | -167.4 | 0 | 0 | 0 | 0 | 112.7 | K786 A787 K788 | K786-S790 PolarHBondContact O-N 3.47Å; A787-S790 CarbonylContact O-C 3.59Å; A787-S790 WeakPolarHBondContact O-CA 3.45Å; A787-S790 VanDerWaalsContact O-CB 3.3Å; A787-S790 WeakPolarHBondContact O-CB 3.22Å; A787-S790 PolarHBondContact O-N 2.76Å; K788-S790 VanDerWaalsContact C-N 3.33Å |
| 791 | D | 56.2 | Low | 66.6 | Low | 140 Ų | 140 | 105.4 Ų | 105.4 | 75% | 0.749 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -78.3 | -27.3 | 176.8 | -64.7 | -29.8 | 0 | 0 | 0 | 111.6 | A787 V793 | A787-D791 PolarHBondContact O-N 2.94Å; D791-V793 PolarHBondContact O-N 2.71Å |
| 792 | Q | 51.2 | Low | 66.6 | Low | 159 Ų | 159 | 105 Ų | 105 | 74% | 0.743 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -85.7 | 86.1 | 174 | -167.4 | 162.5 | 63.9 | 0 | 0 | 112 | K788 | K788-Q792 VanDerWaalsContact O-CB 3.23Å; K788-Q792 WeakPolarHBondContact O-CB 3.22Å; K788-Q792 PolarHBondContact O-N 3.24Å |
| 793 | V | 48 | Very low | 66.8 | Low | 80 Ų | 80 | 106.5 Ų | 106.5 | 49% | 0.485 | 55% | 0.554 | S | S | . | * | trans | 123.9 | 131.2 | 155.8 | -178.5 | 0 | 0 | 0 | 0 | 113.8 | D791 F795 | D791-V793 PolarHBondContact O-N 2.71Å; V793-F795 HydrophobicContact CB-CD2 3.95Å; V793-F795 HydrophobicContact CB-CE2 4.36Å; V793-F795 HydrophobicContact CG1-CB 4.35Å; V793-F795 HydrophobicContact CG1-CD2 3.27Å; V793-F795 HydrophobicContact CG1-CE2 3.58Å; V793-F795 HydrophobicContact CG1-CG 3.81Å; V793-F795 HydrophobicContact CG1-CZ 4.33Å; V793-F795 PolarHBondContact O-N 3.37Å | ||
| 794 | S | 57.1 | Low | 67.3 | Low | 101 Ų | 101 | 107.9 Ų | 107.9 | 71% | 0.706 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | 21.9 | 178.6 | 51.7 | 0 | 0 | 0 | 0 | 116 | V796 S797 | S794-V796 PolarHBondContact O-N 3.4Å; S794-S797 PolarHBondContact O-N 2.95Å |
| 795 | F | 56.9 | Low | 67.7 | Low | 125 Ų | 125 | 106.4 Ų | 106.4 | 55% | 0.548 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.5 | -28.8 | -177.5 | -86.6 | -54.6 | 0 | 0 | 0 | 113.1 | V793 S797 L798 I799 | V793-F795 HydrophobicContact CB-CD2 3.95Å; V793-F795 HydrophobicContact CB-CE2 4.36Å; V793-F795 HydrophobicContact CG1-CB 4.35Å; V793-F795 HydrophobicContact CG1-CD2 3.27Å; V793-F795 HydrophobicContact CG1-CE2 3.58Å; V793-F795 HydrophobicContact CG1-CG 3.81Å; V793-F795 HydrophobicContact CG1-CZ 4.33Å; V793-F795 PolarHBondContact O-N 3.37Å; F795-S797 PolarHBondContact O-N 3.44Å; F795-L798 HydrophobicContact CD1-CD2 4.32Å; F795-L798 HydrophobicContact CE1-CD2 4.46Å; F795-L798 PolarHBondContact O-N 2.88Å; F795-I799 HydrophobicContact CB-CD1 4.17Å; F795-I799 VanDerWaalsContact O-CB 3.28Å; F795-I799 WeakPolarHBondContact O-CB 3.36Å; F795-I799 WeakPolarHBondContact O-CD1 3.05Å; F795-I799 WeakPolarHBondContact O-CG1 3.06Å; F795-I799 PolarHBondContact O-N 3.1Å |
| 796 | V | 65.4 | Low | 68.2 | Low | 90 Ų | 90 | 105 Ų | 105 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.3 | -50.2 | 180 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | S794 L798 I799 E800 | S794-V796 PolarHBondContact O-N 3.4Å; V796-L798 PolarHBondContact O-N 3.21Å; V796-I799 PolarHBondContact O-N 2.95Å; V796-E800 WeakPolarHBondContact O-CB 3.45Å; V796-E800 WeakPolarHBondContact O-CG 3.42Å; V796-E800 PolarHBondContact O-N 2.91Å |
| 797 | S | 66.4 | Low | 68.9 | Low | 68 Ų | 68 | 104.6 Ų | 104.6 | 48% | 0.476 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 177.3 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | S794 F795 I799 E800 D801 | S794-S797 PolarHBondContact O-N 2.95Å; F795-S797 PolarHBondContact O-N 3.44Å; S797-I799 VanDerWaalsContact C-N 3.34Å; S797-I799 PolarHBondContact O-N 2.98Å; S797-E800 PolarHBondContact O-N 2.72Å; S797-D801 PolarHBondContact O-N 3.46Å |
| 798 | L | 71.3 | Confident | 69.8 | Low | 97 Ų | 97 | 107 Ų | 107 | 51% | 0.508 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.7 | -35.7 | 179.2 | -175.8 | 61.3 | 0 | 0 | 0 | 112 | F795 V796 L802 | F795-L798 HydrophobicContact CD1-CD2 4.32Å; F795-L798 HydrophobicContact CE1-CD2 4.46Å; F795-L798 PolarHBondContact O-N 2.88Å; V796-L798 PolarHBondContact O-N 3.21Å; L798-L802 HydrophobicContact CG-CD1 4.23Å; L798-L802 VanDerWaalsContact O-CB 3.26Å; L798-L802 WeakPolarHBondContact O-CB 3.38Å; L798-L802 WeakPolarHBondContact O-CD1 3.11Å; L798-L802 VanDerWaalsContact O-CG 3.26Å; L798-L802 WeakPolarHBondContact O-CG 3.4Å; L798-L802 PolarHBondContact O-N 3.27Å |
| 799 | I | 74 | Confident | 70.7 | Confident | 79 Ų | 79 | 105.9 Ų | 105.9 | 41% | 0.405 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.3 | -36.1 | 174.8 | -71.8 | 165.6 | 0 | 0 | 0 | 110.9 | F795 V796 S797 K803 | F795-I799 HydrophobicContact CB-CD1 4.17Å; F795-I799 VanDerWaalsContact O-CB 3.28Å; F795-I799 WeakPolarHBondContact O-CB 3.36Å; F795-I799 WeakPolarHBondContact O-CD1 3.05Å; F795-I799 WeakPolarHBondContact O-CG1 3.06Å; F795-I799 PolarHBondContact O-N 3.1Å; V796-I799 PolarHBondContact O-N 2.95Å; S797-I799 VanDerWaalsContact C-N 3.34Å; S797-I799 PolarHBondContact O-N 2.98Å; I799-K803 HydrophobicContact CG2-CD 4.16Å; I799-K803 WeakPolarHBondContact O-CB 3.14Å; I799-K803 WeakPolarHBondContact O-CG 3.24Å; I799-K803 PolarHBondContact O-N 2.94Å |
| 800 | E | 77 | Confident | 71.9 | Confident | 108 Ų | 108 | 101.7 Ų | 101.7 | 51% | 0.505 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.4 | -41 | 175.3 | -74.8 | 177.1 | 165.2 | 0 | 0 | 112.1 | V796 S797 K803 R804 | V796-E800 WeakPolarHBondContact O-CB 3.45Å; V796-E800 WeakPolarHBondContact O-CG 3.42Å; V796-E800 PolarHBondContact O-N 2.91Å; S797-E800 PolarHBondContact O-N 2.72Å; E800-K803 PolarHBondContact O-N 2.97Å; E800-R804 WeakPolarHBondContact O-CB 3.27Å; E800-R804 PolarHBondContact O-N 2.95Å |
| 801 | D | 74.3 | Confident | 73.4 | Confident | 67 Ų | 67 | 99.5 Ų | 99.5 | 36% | 0.358 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.9 | -35.9 | 173.2 | -73.3 | -40.5 | 0 | 0 | 0 | 112.6 | S797 R804 V805 | S797-D801 PolarHBondContact O-N 3.46Å; D801-R804 WeakPolarHBondContact O-CB 3.23Å; D801-R804 PolarHBondContact O-N 3.08Å; D801-R804 IonicContact OD1-CZ 3.88Å; D801-R804 IonicContact OD1-NE 2.75Å; D801-R804 PolarHBondContact OD1-NE 2.97Å; D801-R804 IonicContact OD1-NH2 3.25Å; D801-R804 PolarHBondContact OD1-NH2 3.43Å; D801-V805 WeakPolarHBondContact O-CG2 3.48Å; D801-V805 PolarHBondContact O-N 3.41Å |
| 802 | L | 80 | Confident | 74.8 | Confident | 95 Ų | 95 | 97.1 Ų | 97.1 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 169.4 | -81.4 | 166.3 | 0 | 0 | 0 | 111.7 | L798 R804 V805 I806 | L798-L802 HydrophobicContact CG-CD1 4.23Å; L798-L802 VanDerWaalsContact O-CB 3.26Å; L798-L802 WeakPolarHBondContact O-CB 3.38Å; L798-L802 WeakPolarHBondContact O-CD1 3.11Å; L798-L802 VanDerWaalsContact O-CG 3.26Å; L798-L802 WeakPolarHBondContact O-CG 3.4Å; L798-L802 PolarHBondContact O-N 3.27Å; L802-R804 VanDerWaalsContact C-N 3.34Å; L802-R804 PolarHBondContact O-N 3.04Å; L802-V805 PolarHBondContact O-N 3.25Å; L802-I806 WeakPolarHBondContact O-CB 3.42Å; L802-I806 WeakPolarHBondContact O-CD1 3.27Å; L802-I806 WeakPolarHBondContact O-CG1 3.45Å; L802-I806 PolarHBondContact O-N 2.86Å |
| 803 | K | 81.1 | Confident | 76.3 | Confident | 129 Ų | 129 | 93.8 Ų | 93.8 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.5 | -39.7 | 173.2 | -77 | 168.1 | -179.9 | 176.7 | 0 | 112 | I799 E800 I806 H807 | I799-K803 HydrophobicContact CG2-CD 4.16Å; I799-K803 WeakPolarHBondContact O-CB 3.14Å; I799-K803 WeakPolarHBondContact O-CG 3.24Å; I799-K803 PolarHBondContact O-N 2.94Å; E800-K803 PolarHBondContact O-N 2.97Å; K803-I806 PolarHBondContact O-N 2.78Å; K803-H807 PolarHBondContact O-N 2.81Å |
| 804 | R | 86.9 | Confident | 78.1 | Confident | 157 Ų | 157 | 96.1 Ų | 96.1 | 59% | 0.592 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.7 | -48.5 | 175.9 | -162.8 | -165 | -45.6 | -74.1 | -0.8 | 110.9 | E800 D801 L802 H807 E808 | E800-R804 WeakPolarHBondContact O-CB 3.27Å; E800-R804 PolarHBondContact O-N 2.95Å; D801-R804 WeakPolarHBondContact O-CB 3.23Å; D801-R804 PolarHBondContact O-N 3.08Å; D801-R804 IonicContact OD1-CZ 3.88Å; D801-R804 IonicContact OD1-NE 2.75Å; D801-R804 PolarHBondContact OD1-NE 2.97Å; D801-R804 IonicContact OD1-NH2 3.25Å; D801-R804 PolarHBondContact OD1-NH2 3.43Å; L802-R804 VanDerWaalsContact C-N 3.34Å; L802-R804 PolarHBondContact O-N 3.04Å; R804-H807 PolarHBondContact O-N 3.39Å; R804-E808 WeakPolarHBondContact O-CB 3.44Å; R804-E808 PolarHBondContact O-N 2.92Å |
| 805 | V | 87.3 | Confident | 79.3 | Confident | 72 Ų | 72 | 94.1 Ų | 94.1 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 111.4 | D801 L802 E808 K809 | D801-V805 WeakPolarHBondContact O-CG2 3.48Å; D801-V805 PolarHBondContact O-N 3.41Å; L802-V805 PolarHBondContact O-N 3.25Å; V805-E808 PolarHBondContact O-N 3.3Å; V805-K809 HydrophobicContact CG1-CG 4.3Å; V805-K809 WeakPolarHBondContact O-CB 3.32Å; V805-K809 VanDerWaalsContact O-CG 3.24Å; V805-K809 WeakPolarHBondContact O-CG 3.49Å; V805-K809 PolarHBondContact O-N 3.35Å |
| 806 | I | 83.1 | Confident | 80.5 | Confident | 90 Ų | 90 | 92.8 Ų | 92.8 | 46% | 0.462 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.6 | -50 | 175.4 | -72.7 | 163.1 | 0 | 0 | 0 | 110.1 | L802 K803 E808 K809 D810 | L802-I806 WeakPolarHBondContact O-CB 3.42Å; L802-I806 WeakPolarHBondContact O-CD1 3.27Å; L802-I806 WeakPolarHBondContact O-CG1 3.45Å; L802-I806 PolarHBondContact O-N 2.86Å; K803-I806 PolarHBondContact O-N 2.78Å; I806-E808 VanDerWaalsContact C-N 3.34Å; I806-E808 PolarHBondContact O-N 3.35Å; I806-K809 CarbonylContact O-C 3.55Å; I806-K809 PolarHBondContact O-N 2.96Å; I806-D810 WeakPolarHBondContact CG2-OD2 3.34Å; I806-D810 PolarHBondContact O-N 2.87Å |
| 807 | H | 83.4 | Confident | 81.3 | Confident | 141 Ų | 141 | 93.9 Ų | 93.9 | 65% | 0.653 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.5 | -32.8 | 176.5 | -79.1 | -5.7 | 0 | 0 | 0 | 114.2 | K803 R804 K809 D810 G811 | K803-H807 PolarHBondContact O-N 2.81Å; R804-H807 PolarHBondContact O-N 3.39Å; H807-K809 VanDerWaalsContact C-N 3.34Å; H807-D810 IonicContact ND1-OD2 2.72Å; H807-D810 PolarHBondContact ND1-OD2 3.38Å; H807-G811 PolarHBondContact O-N 3.24Å |
| 808 | E | 85.9 | Confident | 82.3 | Confident | 97 Ų | 97 | 96.9 Ų | 96.9 | 45% | 0.453 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 171 | -167.3 | -152.3 | 112.5 | 0 | 0 | 111.2 | R804 V805 I806 G811 Q812 | R804-E808 WeakPolarHBondContact O-CB 3.44Å; R804-E808 PolarHBondContact O-N 2.92Å; V805-E808 PolarHBondContact O-N 3.3Å; I806-E808 VanDerWaalsContact C-N 3.34Å; I806-E808 PolarHBondContact O-N 3.35Å; E808-G811 PolarHBondContact O-N 3.13Å; E808-Q812 WeakPolarHBondContact O-CG 3.34Å; E808-Q812 PolarHBondContact O-N 2.94Å; E808-Q812 PolarHBondContact OE1-NE2 2.81Å |
| 809 | K | 85.8 | Confident | 83 | Confident | 91 Ų | 91 | 97.6 Ų | 97.6 | 40% | 0.396 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.5 | -37.8 | 177.3 | -64.6 | -66.8 | 165.2 | -113.9 | 0 | 112.4 | V805 I806 H807 G811 Q812 I813 | V805-K809 HydrophobicContact CG1-CG 4.3Å; V805-K809 WeakPolarHBondContact O-CB 3.32Å; V805-K809 VanDerWaalsContact O-CG 3.24Å; V805-K809 WeakPolarHBondContact O-CG 3.49Å; V805-K809 PolarHBondContact O-N 3.35Å; I806-K809 CarbonylContact O-C 3.55Å; I806-K809 PolarHBondContact O-N 2.96Å; H807-K809 VanDerWaalsContact C-N 3.34Å; K809-G811 VanDerWaalsContact C-N 3.28Å; K809-G811 PolarHBondContact O-N 3.45Å; K809-Q812 PolarHBondContact O-N 3.15Å; K809-I813 WeakPolarHBondContact O-CB 3.48Å; K809-I813 WeakPolarHBondContact O-CD1 3.29Å; K809-I813 WeakPolarHBondContact O-CG1 3.35Å; K809-I813 PolarHBondContact O-N 3.24Å |
| 810 | D | 84.1 | Confident | 83.5 | Confident | 64 Ų | 64 | 99 Ų | 99 | 34% | 0.342 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60 | -40 | 170.7 | -61.6 | -31.4 | 0 | 0 | 0 | 110.8 | I806 H807 K814 | I806-D810 WeakPolarHBondContact CG2-OD2 3.34Å; I806-D810 PolarHBondContact O-N 2.87Å; H807-D810 IonicContact ND1-OD2 2.72Å; H807-D810 PolarHBondContact ND1-OD2 3.38Å; D810-K814 WeakPolarHBondContact O-CG 3.37Å; D810-K814 PolarHBondContact O-N 2.77Å |
| 811 | G | 87 | Confident | 84 | Confident | 40 Ų | 40 | 100 Ų | 100 | 41% | 0.412 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H807 E808 K809 K814 S815 | H807-G811 PolarHBondContact O-N 3.24Å; E808-G811 PolarHBondContact O-N 3.13Å; K809-G811 VanDerWaalsContact C-N 3.28Å; K809-G811 PolarHBondContact O-N 3.45Å; G811-K814 PolarHBondContact O-N 3.47Å; G811-S815 WeakPolarHBondContact O-CB 3.47Å; G811-S815 PolarHBondContact O-N 3.21Å |
| 812 | Q | 84.4 | Confident | 84.6 | Confident | 90 Ų | 90 | 100.4 Ų | 100.4 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 174.2 | -74.8 | 164.8 | 15.4 | 0 | 0 | 112 | E808 K809 S815 V816 | E808-Q812 WeakPolarHBondContact O-CG 3.34Å; E808-Q812 PolarHBondContact O-N 2.94Å; E808-Q812 PolarHBondContact OE1-NE2 2.81Å; K809-Q812 PolarHBondContact O-N 3.15Å; Q812-S815 PolarHBondContact O-N 3.06Å; Q812-V816 WeakPolarHBondContact O-CG2 3.37Å; Q812-V816 PolarHBondContact O-N 2.93Å |
| 813 | I | 83.6 | Confident | 84.7 | Confident | 88 Ų | 88 | 99 Ų | 99 | 45% | 0.451 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -51.6 | 173.2 | -72.9 | 162.6 | 0 | 0 | 0 | 109.7 | K809 S815 V816 E817 | K809-I813 WeakPolarHBondContact O-CB 3.48Å; K809-I813 WeakPolarHBondContact O-CD1 3.29Å; K809-I813 WeakPolarHBondContact O-CG1 3.35Å; K809-I813 PolarHBondContact O-N 3.24Å; I813-S815 VanDerWaalsContact C-N 3.33Å; I813-S815 PolarHBondContact O-N 3.47Å; I813-V816 CarbonylContact O-C 3.49Å; I813-V816 WeakPolarHBondContact O-CA 3.42Å; I813-V816 WeakPolarHBondContact O-CB 3.36Å; I813-V816 PolarHBondContact O-N 3.37Å; I813-E817 HydrophobicContact CG2-CG 4.23Å; I813-E817 WeakPolarHBondContact O-CG 3.35Å; I813-E817 PolarHBondContact O-N 3.24Å |
| 814 | K | 84.4 | Confident | 84.8 | Confident | 129 Ų | 129 | 98 Ų | 98 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59 | -41 | 177.5 | -74.9 | 174.5 | -179.3 | -179.9 | 0 | 113.3 | D810 G811 V816 E817 E818 | D810-K814 WeakPolarHBondContact O-CG 3.37Å; D810-K814 PolarHBondContact O-N 2.77Å; G811-K814 PolarHBondContact O-N 3.47Å; K814-V816 VanDerWaalsContact C-N 3.3Å; K814-V816 PolarHBondContact O-N 2.87Å; K814-E817 PolarHBondContact O-N 2.85Å; K814-E818 WeakPolarHBondContact O-CB 3.44Å; K814-E818 WeakPolarHBondContact O-CG 3.44Å; K814-E818 PolarHBondContact O-N 3.43Å |
| 815 | S | 82.3 | Confident | 84.9 | Confident | 60 Ų | 60 | 95.5 Ų | 95.5 | 42% | 0.42 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -35 | 175.3 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | G811 Q812 I813 L819 | G811-S815 WeakPolarHBondContact O-CB 3.47Å; G811-S815 PolarHBondContact O-N 3.21Å; Q812-S815 PolarHBondContact O-N 3.06Å; I813-S815 VanDerWaalsContact C-N 3.33Å; I813-S815 PolarHBondContact O-N 3.47Å; S815-L819 WeakPolarHBondContact O-CB 3.4Å; S815-L819 WeakPolarHBondContact O-CD1 3.31Å; S815-L819 WeakPolarHBondContact O-CG 3.47Å; S815-L819 PolarHBondContact O-N 3.29Å |
| 816 | V | 82.6 | Confident | 84.8 | Confident | 96 Ų | 96 | 96.9 Ų | 96.9 | 58% | 0.582 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -72.6 | -36.1 | 173 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | Q812 I813 K814 L819 L820 | Q812-V816 WeakPolarHBondContact O-CG2 3.37Å; Q812-V816 PolarHBondContact O-N 2.93Å; I813-V816 CarbonylContact O-C 3.49Å; I813-V816 WeakPolarHBondContact O-CA 3.42Å; I813-V816 WeakPolarHBondContact O-CB 3.36Å; I813-V816 PolarHBondContact O-N 3.37Å; K814-V816 VanDerWaalsContact C-N 3.3Å; K814-V816 PolarHBondContact O-N 2.87Å; V816-L819 PolarHBondContact O-N 3.49Å; V816-L820 WeakPolarHBondContact O-CB 3.44Å; V816-L820 PolarHBondContact O-N 3.27Å |
| 817 | E | 82.5 | Confident | 84.9 | Confident | 113 Ų | 113 | 96.1 Ų | 96.1 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.7 | -46.3 | 174.2 | -70.6 | 170.7 | 152.3 | 0 | 0 | 111.3 | I813 K814 L820 E821 | I813-E817 HydrophobicContact CG2-CG 4.23Å; I813-E817 WeakPolarHBondContact O-CG 3.35Å; I813-E817 PolarHBondContact O-N 3.24Å; K814-E817 PolarHBondContact O-N 2.85Å; E817-L820 PolarHBondContact O-N 3.45Å; E817-E821 PolarHBondContact O-N 3.39Å |
| 818 | E | 86.8 | Confident | 85 | Confident | 131 Ų | 131 | 91.1 Ų | 91.1 | 61% | 0.612 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 174.2 | -73.5 | 174 | -178.1 | 0 | 0 | 111.8 | K814 L820 E821 V822 | K814-E818 WeakPolarHBondContact O-CB 3.44Å; K814-E818 WeakPolarHBondContact O-CG 3.44Å; K814-E818 PolarHBondContact O-N 3.43Å; E818-L820 VanDerWaalsContact C-N 3.34Å; E818-L820 PolarHBondContact O-N 3.24Å; E818-E821 PolarHBondContact O-N 2.8Å; E818-V822 WeakPolarHBondContact O-CB 3.01Å; E818-V822 VanDerWaalsContact O-CG2 3.31Å; E818-V822 WeakPolarHBondContact O-CG2 3.39Å; E818-V822 PolarHBondContact O-N 2.61Å |
| 819 | L | 85.8 | Confident | 85 | Confident | 113 Ų | 113 | 90.6 Ų | 90.6 | 59% | 0.592 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.6 | -37.4 | 174.9 | -76.1 | 168.9 | 0 | 0 | 0 | 112.4 | S815 V816 E823 | S815-L819 WeakPolarHBondContact O-CB 3.4Å; S815-L819 WeakPolarHBondContact O-CD1 3.31Å; S815-L819 WeakPolarHBondContact O-CG 3.47Å; S815-L819 PolarHBondContact O-N 3.29Å; V816-L819 PolarHBondContact O-N 3.49Å; L819-E823 PolarHBondContact O-N 3.28Å |
| 820 | L | 84.7 | Confident | 85.1 | Confident | 107 Ų | 107 | 91.6 Ų | 91.6 | 56% | 0.56 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -69.1 | -40.9 | 176.8 | -177.2 | 63.9 | 0 | 0 | 0 | 111.5 | V816 E817 E818 E823 L824 | V816-L820 WeakPolarHBondContact O-CB 3.44Å; V816-L820 PolarHBondContact O-N 3.27Å; E817-L820 PolarHBondContact O-N 3.45Å; E818-L820 VanDerWaalsContact C-N 3.34Å; E818-L820 PolarHBondContact O-N 3.24Å; L820-E823 PolarHBondContact O-N 2.94Å; L820-L824 HydrophobicContact CG-CD1 4.41Å; L820-L824 WeakPolarHBondContact O-CB 3.31Å; L820-L824 VanDerWaalsContact O-CG 3.3Å; L820-L824 WeakPolarHBondContact O-CG 3.48Å; L820-L824 PolarHBondContact O-N 2.73Å |
| 821 | E | 87.3 | Confident | 85.1 | Confident | 131 Ų | 131 | 93.8 Ų | 93.8 | 61% | 0.612 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.5 | -38.5 | 175 | -173.2 | 159.8 | -144.2 | 0 | 0 | 111.6 | E817 E818 L824 L825 | E817-E821 PolarHBondContact O-N 3.39Å; E818-E821 PolarHBondContact O-N 2.8Å; E821-L824 PolarHBondContact O-N 3.36Å; E821-L825 WeakPolarHBondContact O-CG 3.35Å; E821-L825 PolarHBondContact O-N 3.19Å |
| 822 | V | 87.9 | Confident | 85.1 | Confident | 74 Ų | 74 | 98 Ų | 98 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 171 | 165.7 | 0 | 0 | 0 | 0 | 112.2 | E818 L825 K826 | E818-V822 WeakPolarHBondContact O-CB 3.01Å; E818-V822 VanDerWaalsContact O-CG2 3.31Å; E818-V822 WeakPolarHBondContact O-CG2 3.39Å; E818-V822 PolarHBondContact O-N 2.61Å; V822-L825 PolarHBondContact O-N 2.76Å; V822-K826 PolarHBondContact O-N 3.29Å |
| 823 | E | 81.1 | Confident | 85.1 | Confident | 65 Ų | 65 | 97.6 Ų | 97.6 | 30% | 0.304 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -74 | -33.2 | 175.6 | -164.4 | 59.3 | -138 | 0 | 0 | 112.4 | L819 L820 L825 K826 V827 K830 | L819-E823 PolarHBondContact O-N 3.28Å; L820-E823 PolarHBondContact O-N 2.94Å; E823-L825 VanDerWaalsContact C-N 3.31Å; E823-L825 PolarHBondContact O-N 3.48Å; E823-K826 CarbonylContact O-C 3.53Å; E823-K826 WeakPolarHBondContact O-CB 3.43Å; E823-K826 PolarHBondContact O-N 2.8Å; E823-K826 VanDerWaalsContact O-N 3.14Å; E823-K826 WeakPolarHBondContact OE1-CB 3.49Å; E823-K826 VanDerWaalsContact OE2-CD 3.28Å; E823-K826 WeakPolarHBondContact OE2-CD 3.06Å; E823-K826 WeakPolarHBondContact OE2-CE 3.31Å; E823-K826 IonicContact OE2-NZ 2.74Å; E823-K826 PolarHBondContact OE2-NZ 2.94Å; E823-V827 WeakPolarHBondContact O-CG2 3.28Å; E823-V827 PolarHBondContact O-N 2.76Å; E823-K830 IonicContact OE1-NZ 3.46Å; E823-K830 PolarHBondContact OE1-NZ 2.82Å |
| 824 | L | 83.6 | Confident | 85.1 | Confident | 108 Ų | 108 | 97.8 Ų | 97.8 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.4 | -40.5 | 170.2 | -75.7 | 169.7 | 0 | 0 | 0 | 111.4 | L820 E821 V827 A828 | L820-L824 HydrophobicContact CG-CD1 4.41Å; L820-L824 WeakPolarHBondContact O-CB 3.31Å; L820-L824 VanDerWaalsContact O-CG 3.3Å; L820-L824 WeakPolarHBondContact O-CG 3.48Å; L820-L824 PolarHBondContact O-N 2.73Å; E821-L824 PolarHBondContact O-N 3.36Å; L824-V827 PolarHBondContact O-N 3.26Å; L824-A828 WeakPolarHBondContact O-CB 3.2Å; L824-A828 PolarHBondContact O-N 2.87Å |
| 825 | L | 89.5 | Confident | 85 | Confident | 106 Ų | 106 | 96.5 Ų | 96.5 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.6 | -37.9 | 172.3 | -73.5 | 169.8 | 0 | 0 | 0 | 112.5 | E821 V822 E823 N829 | E821-L825 WeakPolarHBondContact O-CG 3.35Å; E821-L825 PolarHBondContact O-N 3.19Å; V822-L825 PolarHBondContact O-N 2.76Å; E823-L825 VanDerWaalsContact C-N 3.31Å; E823-L825 PolarHBondContact O-N 3.48Å; L825-N829 WeakPolarHBondContact O-CB 3.5Å; L825-N829 PolarHBondContact O-N 2.87Å; L825-N829 PolarHBondContact O-ND2 3.23Å |
| 826 | K | 85.6 | Confident | 85.2 | Confident | 100 Ų | 100 | 96.1 Ų | 96.1 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 171.3 | -73.9 | -176.5 | -121.8 | 158.4 | 0 | 111.7 | V822 E823 N829 K830 | V822-K826 PolarHBondContact O-N 3.29Å; E823-K826 CarbonylContact O-C 3.53Å; E823-K826 WeakPolarHBondContact O-CB 3.43Å; E823-K826 PolarHBondContact O-N 2.8Å; E823-K826 VanDerWaalsContact O-N 3.14Å; E823-K826 WeakPolarHBondContact OE1-CB 3.49Å; E823-K826 VanDerWaalsContact OE2-CD 3.28Å; E823-K826 WeakPolarHBondContact OE2-CD 3.06Å; E823-K826 WeakPolarHBondContact OE2-CE 3.31Å; E823-K826 IonicContact OE2-NZ 2.74Å; E823-K826 PolarHBondContact OE2-NZ 2.94Å; K826-N829 PolarHBondContact O-N 3.39Å; K826-K830 WeakPolarHBondContact O-CB 3.27Å; K826-K830 VanDerWaalsContact O-CG 3.22Å; K826-K830 WeakPolarHBondContact O-CG 3.29Å; K826-K830 PolarHBondContact O-N 2.87Å |
| 827 | V | 83.6 | Confident | 85.3 | Confident | 74 Ų | 74 | 96 Ų | 96 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 176.4 | 170.4 | 0 | 0 | 0 | 0 | 111 | E823 L824 N829 K830 E831 | E823-V827 WeakPolarHBondContact O-CG2 3.28Å; E823-V827 PolarHBondContact O-N 2.76Å; L824-V827 PolarHBondContact O-N 3.26Å; V827-N829 VanDerWaalsContact C-N 3.28Å; V827-N829 PolarHBondContact O-N 3.45Å; V827-K830 WeakPolarHBondContact O-CB 3.46Å; V827-K830 PolarHBondContact O-N 2.85Å; V827-E831 WeakPolarHBondContact O-CB 3.21Å; V827-E831 PolarHBondContact O-N 2.86Å |
| 828 | A | 86.5 | Confident | 85.6 | Confident | 36 Ų | 36 | 97.8 Ų | 97.8 | 30% | 0.298 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -32.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L824 K832 | L824-A828 WeakPolarHBondContact O-CB 3.2Å; L824-A828 PolarHBondContact O-N 2.87Å; A828-K832 WeakPolarHBondContact O-CG 3.49Å; A828-K832 PolarHBondContact O-N 3.37Å; A828-K832 VanDerWaalsContact O-N 3.15Å |
| 829 | N | 86.5 | Confident | 85.5 | Confident | 86 Ų | 86 | 98.2 Ų | 98.2 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -77.4 | -38.5 | 174 | -71.6 | -22.7 | 0 | 0 | 0 | 112.4 | L825 K826 V827 E831 K832 T833 | L825-N829 WeakPolarHBondContact O-CB 3.5Å; L825-N829 PolarHBondContact O-N 2.87Å; L825-N829 PolarHBondContact O-ND2 3.23Å; K826-N829 PolarHBondContact O-N 3.39Å; V827-N829 VanDerWaalsContact C-N 3.28Å; V827-N829 PolarHBondContact O-N 3.45Å; N829-E831 VanDerWaalsContact C-N 3.31Å; N829-E831 PolarHBondContact O-N 2.78Å; N829-K832 PolarHBondContact O-N 2.69Å; N829-K832 PolarHBondContact OD1-NZ 2.8Å; N829-T833 PolarHBondContact O-N 3.15Å |
| 830 | K | 86.4 | Confident | 85.6 | Confident | 113 Ų | 113 | 98.3 Ų | 98.3 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.1 | -45.2 | 169.1 | -71.2 | 161.6 | -176.8 | 168.7 | 0 | 110.2 | E823 K826 V827 K832 T833 V834 | E823-K830 IonicContact OE1-NZ 3.46Å; E823-K830 PolarHBondContact OE1-NZ 2.82Å; K826-K830 WeakPolarHBondContact O-CB 3.27Å; K826-K830 VanDerWaalsContact O-CG 3.22Å; K826-K830 WeakPolarHBondContact O-CG 3.29Å; K826-K830 PolarHBondContact O-N 2.87Å; V827-K830 WeakPolarHBondContact O-CB 3.46Å; V827-K830 PolarHBondContact O-N 2.85Å; K830-K832 PolarHBondContact O-N 3.49Å; K830-T833 WeakPolarHBondContact CA-OG1 3.3Å; K830-T833 PolarHBondContact O-N 3.29Å; K830-T833 VanDerWaalsContact O-N 3.15Å; K830-T833 PolarHBondContact O-OG1 3.09Å; K830-V834 WeakPolarHBondContact O-CG2 3.36Å; K830-V834 PolarHBondContact O-N 2.92Å |
| 831 | E | 85.9 | Confident | 85.4 | Confident | 110 Ų | 110 | 97.8 Ų | 97.8 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 176.8 | -169.8 | -178.4 | 174.3 | 0 | 0 | 112.3 | V827 N829 T833 V834 Q835 | V827-E831 WeakPolarHBondContact O-CB 3.21Å; V827-E831 PolarHBondContact O-N 2.86Å; N829-E831 VanDerWaalsContact C-N 3.31Å; N829-E831 PolarHBondContact O-N 2.78Å; E831-T833 VanDerWaalsContact C-N 3.32Å; E831-T833 PolarHBondContact O-N 3.47Å; E831-V834 PolarHBondContact O-N 3.1Å; E831-V834 VanDerWaalsContact O-N 3.15Å; E831-Q835 WeakPolarHBondContact O-CG 3.31Å; E831-Q835 PolarHBondContact O-N 3.17Å; E831-Q835 PolarHBondContact OE1-NE2 3.47Å |
| 832 | K | 86.4 | Confident | 85.5 | Confident | 128 Ų | 128 | 96.5 Ų | 96.5 | 56% | 0.557 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.4 | -41.8 | 173.3 | -70.2 | 166.2 | -163.3 | 162.2 | 0 | 112.3 | A828 N829 K830 Q835 A836 | A828-K832 WeakPolarHBondContact O-CG 3.49Å; A828-K832 PolarHBondContact O-N 3.37Å; A828-K832 VanDerWaalsContact O-N 3.15Å; N829-K832 PolarHBondContact O-N 2.69Å; N829-K832 PolarHBondContact OD1-NZ 2.8Å; K830-K832 PolarHBondContact O-N 3.49Å; K832-Q835 PolarHBondContact O-N 2.94Å; K832-A836 PolarHBondContact O-N 3.48Å |
| 833 | T | 84.1 | Confident | 85.5 | Confident | 81 Ų | 81 | 96.7 Ų | 96.7 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66 | -36.7 | 175.8 | 56.3 | 0 | 0 | 0 | 0 | 112.5 | N829 K830 E831 A836 L837 | N829-T833 PolarHBondContact O-N 3.15Å; K830-T833 WeakPolarHBondContact CA-OG1 3.3Å; K830-T833 PolarHBondContact O-N 3.29Å; K830-T833 VanDerWaalsContact O-N 3.15Å; K830-T833 PolarHBondContact O-OG1 3.09Å; E831-T833 VanDerWaalsContact C-N 3.32Å; E831-T833 PolarHBondContact O-N 3.47Å; T833-A836 PolarHBondContact O-N 2.81Å; T833-L837 WeakPolarHBondContact O-CB 3.45Å; T833-L837 VanDerWaalsContact O-CG 3.31Å; T833-L837 WeakPolarHBondContact O-CG 3.32Å; T833-L837 PolarHBondContact O-N 2.83Å |
| 834 | V | 83.4 | Confident | 85.8 | Confident | 92 Ų | 92 | 97.6 Ų | 97.6 | 56% | 0.558 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.7 | -37.7 | 173.4 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | K830 E831 K838 | K830-V834 WeakPolarHBondContact O-CG2 3.36Å; K830-V834 PolarHBondContact O-N 2.92Å; E831-V834 PolarHBondContact O-N 3.1Å; E831-V834 VanDerWaalsContact O-N 3.15Å; V834-K838 WeakPolarHBondContact O-CB 3.19Å; V834-K838 PolarHBondContact O-N 3.45Å |
| 835 | Q | 83.3 | Confident | 85.9 | Confident | 102 Ų | 102 | 97.8 Ų | 97.8 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 174.2 | -69.8 | -177.6 | 17 | 0 | 0 | 112.1 | E831 K832 K838 Q839 | E831-Q835 WeakPolarHBondContact O-CG 3.31Å; E831-Q835 PolarHBondContact O-N 3.17Å; E831-Q835 PolarHBondContact OE1-NE2 3.47Å; K832-Q835 PolarHBondContact O-N 2.94Å; Q835-K838 PolarHBondContact O-N 3.08Å; Q835-Q839 WeakPolarHBondContact O-CG 3.32Å; Q835-Q839 PolarHBondContact O-N 3.31Å |
| 836 | A | 84.9 | Confident | 85.8 | Confident | 53 Ų | 53 | 99.1 Ų | 99.1 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -50.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K832 T833 K838 Q839 E840 | K832-A836 PolarHBondContact O-N 3.48Å; T833-A836 PolarHBondContact O-N 2.81Å; A836-K838 PolarHBondContact O-N 3.41Å; A836-Q839 WeakPolarHBondContact O-CB 3.45Å; A836-Q839 PolarHBondContact O-N 2.83Å; A836-E840 PolarHBondContact O-N 2.93Å |
| 837 | L | 86.4 | Confident | 85.8 | Confident | 94 Ų | 94 | 99.9 Ų | 99.9 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59 | -35 | 175.4 | -71.1 | 168.8 | 0 | 0 | 0 | 112 | T833 E840 I841 | T833-L837 WeakPolarHBondContact O-CB 3.45Å; T833-L837 VanDerWaalsContact O-CG 3.31Å; T833-L837 WeakPolarHBondContact O-CG 3.32Å; T833-L837 PolarHBondContact O-N 2.83Å; L837-E840 PolarHBondContact O-N 3.37Å; L837-I841 WeakPolarHBondContact O-CB 3.31Å; L837-I841 WeakPolarHBondContact O-CD1 3.46Å; L837-I841 WeakPolarHBondContact O-CG1 3.4Å; L837-I841 PolarHBondContact O-N 2.94Å |
| 838 | K | 87.9 | Confident | 85.8 | Confident | 150 Ų | 150 | 101 Ų | 101 | 65% | 0.652 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.8 | -34.9 | 175.1 | -175.6 | 177.2 | 178.6 | -178.4 | 0 | 112.8 | V834 Q835 A836 E842 | V834-K838 WeakPolarHBondContact O-CB 3.19Å; V834-K838 PolarHBondContact O-N 3.45Å; Q835-K838 PolarHBondContact O-N 3.08Å; A836-K838 PolarHBondContact O-N 3.41Å; K838-E842 PolarHBondContact O-N 2.85Å |
| 839 | Q | 85.5 | Confident | 85.7 | Confident | 139 Ų | 139 | 101 Ų | 101 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.8 | -43.5 | 173 | -71.8 | 173.3 | -8.6 | 0 | 0 | 111 | Q835 A836 I841 E842 V843 | Q835-Q839 WeakPolarHBondContact O-CG 3.32Å; Q835-Q839 PolarHBondContact O-N 3.31Å; A836-Q839 WeakPolarHBondContact O-CB 3.45Å; A836-Q839 PolarHBondContact O-N 2.83Å; Q839-I841 PolarHBondContact O-N 3.29Å; Q839-E842 PolarHBondContact O-N 3.15Å; Q839-E842 VanDerWaalsContact O-N 3.08Å; Q839-V843 PolarHBondContact O-N 3.04Å |
| 840 | E | 86.5 | Confident | 85.5 | Confident | 116 Ų | 116 | 101.2 Ų | 101.2 | 54% | 0.542 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 176.3 | -169.9 | 169.9 | -152.1 | 0 | 0 | 112 | A836 L837 E842 V843 L844 | A836-E840 PolarHBondContact O-N 2.93Å; L837-E840 PolarHBondContact O-N 3.37Å; E840-E842 VanDerWaalsContact C-N 3.3Å; E840-E842 PolarHBondContact O-N 3.4Å; E840-V843 PolarHBondContact O-N 3.3Å; E840-L844 HydrophobicContact CG-CD1 4.35Å; E840-L844 WeakPolarHBondContact O-CB 3.23Å; E840-L844 VanDerWaalsContact O-CG 3.3Å; E840-L844 WeakPolarHBondContact O-CG 3.19Å; E840-L844 PolarHBondContact O-N 3.15Å |
| 841 | I | 81.1 | Confident | 85.2 | Confident | 95 Ų | 95 | 98.6 Ų | 98.6 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.5 | -36.4 | 172.2 | -74.1 | 165.2 | 0 | 0 | 0 | 112.2 | L837 Q839 K845 | L837-I841 WeakPolarHBondContact O-CB 3.31Å; L837-I841 WeakPolarHBondContact O-CD1 3.46Å; L837-I841 WeakPolarHBondContact O-CG1 3.4Å; L837-I841 PolarHBondContact O-N 2.94Å; Q839-I841 PolarHBondContact O-N 3.29Å; I841-K845 WeakPolarHBondContact O-CG 3.21Å; I841-K845 PolarHBondContact O-N 3.47Å; I841-K845 VanDerWaalsContact O-N 3.08Å |
| 842 | E | 88.5 | Confident | 84.9 | Confident | 104 Ų | 104 | 99.6 Ų | 99.6 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -73.8 | -38.7 | 179.3 | -151 | 66 | -159.1 | 0 | 0 | 111.8 | K838 Q839 E840 K845 E846 | K838-E842 PolarHBondContact O-N 2.85Å; Q839-E842 PolarHBondContact O-N 3.15Å; Q839-E842 VanDerWaalsContact O-N 3.08Å; E840-E842 VanDerWaalsContact C-N 3.3Å; E840-E842 PolarHBondContact O-N 3.4Å; E842-K845 WeakPolarHBondContact O-CB 3.23Å; E842-K845 PolarHBondContact O-N 2.81Å; E842-K845 IonicContact OE1-NZ 2.68Å; E842-K845 IonicContact OE2-NZ 2.82Å; E842-K845 PolarHBondContact OE2-NZ 3.42Å; E842-E846 PolarHBondContact O-N 3.36Å; E842-E846 VanDerWaalsContact O-N 3.11Å |
| 843 | V | 88.6 | Confident | 84.7 | Confident | 78 Ų | 78 | 99.5 Ų | 99.5 | 47% | 0.473 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 171.3 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | Q839 E840 K845 E846 E847 | Q839-V843 PolarHBondContact O-N 3.04Å; E840-V843 PolarHBondContact O-N 3.3Å; V843-K845 VanDerWaalsContact C-N 3.29Å; V843-K845 PolarHBondContact O-N 3.39Å; V843-E846 WeakPolarHBondContact O-CB 3.47Å; V843-E846 PolarHBondContact O-N 2.84Å; V843-E847 HydrophobicContact CG1-CG 4.46Å; V843-E847 PolarHBondContact O-N 3.4Å |
| 844 | L | 87.3 | Confident | 84.5 | Confident | 85 Ų | 85 | 101.7 Ų | 101.7 | 45% | 0.445 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -33 | 177.5 | -72.6 | 169 | 0 | 0 | 0 | 112.8 | E840 I848 | E840-L844 HydrophobicContact CG-CD1 4.35Å; E840-L844 WeakPolarHBondContact O-CB 3.23Å; E840-L844 VanDerWaalsContact O-CG 3.3Å; E840-L844 WeakPolarHBondContact O-CG 3.19Å; E840-L844 PolarHBondContact O-N 3.15Å; L844-I848 WeakPolarHBondContact O-CB 3.36Å; L844-I848 WeakPolarHBondContact O-CD1 3.21Å; L844-I848 WeakPolarHBondContact O-CG1 3.47Å; L844-I848 PolarHBondContact O-N 3.4Å |
| 845 | K | 86.5 | Confident | 84.3 | Confident | 111 Ų | 111 | 103.9 Ų | 103.9 | 48% | 0.483 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 170.8 | -72.3 | 170.1 | -166.7 | 164.8 | 0 | 112.2 | I841 E842 V843 I848 G849 | I841-K845 WeakPolarHBondContact O-CG 3.21Å; I841-K845 PolarHBondContact O-N 3.47Å; I841-K845 VanDerWaalsContact O-N 3.08Å; E842-K845 WeakPolarHBondContact O-CB 3.23Å; E842-K845 PolarHBondContact O-N 2.81Å; E842-K845 IonicContact OE1-NZ 2.68Å; E842-K845 IonicContact OE2-NZ 2.82Å; E842-K845 PolarHBondContact OE2-NZ 3.42Å; V843-K845 VanDerWaalsContact C-N 3.29Å; V843-K845 PolarHBondContact O-N 3.39Å; K845-I848 PolarHBondContact O-N 2.7Å; K845-G849 PolarHBondContact O-N 2.68Å |
| 846 | E | 86.6 | Confident | 84.1 | Confident | 135 Ų | 135 | 101.7 Ų | 101.7 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.2 | -42.6 | 177.8 | -171.2 | 169.3 | -170.8 | 0 | 0 | 110.7 | E842 V843 G849 N850 | E842-E846 PolarHBondContact O-N 3.36Å; E842-E846 VanDerWaalsContact O-N 3.11Å; V843-E846 WeakPolarHBondContact O-CB 3.47Å; V843-E846 PolarHBondContact O-N 2.84Å; E846-G849 PolarHBondContact O-N 3.34Å; E846-N850 WeakPolarHBondContact O-CB 3.49Å; E846-N850 VanDerWaalsContact O-CG 3.29Å; E846-N850 PolarHBondContact O-N 2.69Å; E846-N850 PolarHBondContact O-ND2 2.76Å; E846-N850 VanDerWaalsContact O-ND2 3.08Å |
| 847 | E | 86.6 | Confident | 83.9 | Confident | 115 Ų | 115 | 105.2 Ų | 105.2 | 54% | 0.537 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 172.1 | -70.3 | -175.1 | 170.9 | 0 | 0 | 112.6 | V843 G849 N850 A851 | V843-E847 HydrophobicContact CG1-CG 4.46Å; V843-E847 PolarHBondContact O-N 3.4Å; E847-G849 VanDerWaalsContact C-N 3.34Å; E847-G849 PolarHBondContact O-N 3.37Å; E847-N850 PolarHBondContact O-N 3.28Å; E847-A851 WeakPolarHBondContact O-CB 3.37Å; E847-A851 PolarHBondContact O-N 2.8Å |
| 848 | I | 81.9 | Confident | 83.4 | Confident | 97 Ų | 97 | 106.5 Ų | 106.5 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 175.1 | -71.9 | 164.8 | 0 | 0 | 0 | 111.2 | L844 K845 A851 Q852 | L844-I848 WeakPolarHBondContact O-CB 3.36Å; L844-I848 WeakPolarHBondContact O-CD1 3.21Å; L844-I848 WeakPolarHBondContact O-CG1 3.47Å; L844-I848 PolarHBondContact O-N 3.4Å; K845-I848 PolarHBondContact O-N 2.7Å; I848-A851 PolarHBondContact O-N 2.81Å; I848-Q852 WeakPolarHBondContact O-CG 3.39Å; I848-Q852 PolarHBondContact O-N 3.48Å |
| 849 | G | 84.9 | Confident | 82.9 | Confident | 37 Ų | 37 | 104.8 Ų | 104.8 | 38% | 0.381 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K845 E846 E847 Q852 L853 | K845-G849 PolarHBondContact O-N 2.68Å; E846-G849 PolarHBondContact O-N 3.34Å; E847-G849 VanDerWaalsContact C-N 3.34Å; E847-G849 PolarHBondContact O-N 3.37Å; G849-Q852 PolarHBondContact O-N 3.32Å; G849-L853 PolarHBondContact O-N 3.25Å |
| 850 | N | 83 | Confident | 82.8 | Confident | 90 Ų | 90 | 101 Ų | 101 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 176.1 | -72.4 | -37.5 | 0 | 0 | 0 | 111.9 | E846 E847 Q852 L853 E854 | E846-N850 WeakPolarHBondContact O-CB 3.49Å; E846-N850 VanDerWaalsContact O-CG 3.29Å; E846-N850 PolarHBondContact O-N 2.69Å; E846-N850 PolarHBondContact O-ND2 2.76Å; E846-N850 VanDerWaalsContact O-ND2 3.08Å; E847-N850 PolarHBondContact O-N 3.28Å; N850-Q852 VanDerWaalsContact C-N 3.33Å; N850-Q852 PolarHBondContact O-N 2.87Å; N850-L853 WeakPolarHBondContact O-CB 3.07Å; N850-L853 PolarHBondContact O-N 2.87Å; N850-E854 PolarHBondContact O-N 3.4Å |
| 851 | A | 80.3 | Confident | 82.5 | Confident | 58 Ų | 58 | 98.5 Ų | 98.5 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -34.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E847 I848 K855 | E847-A851 WeakPolarHBondContact O-CB 3.37Å; E847-A851 PolarHBondContact O-N 2.8Å; I848-A851 PolarHBondContact O-N 2.81Å; A851-K855 VanDerWaalsContact O-CB 3.28Å; A851-K855 WeakPolarHBondContact O-CB 3.3Å; A851-K855 PolarHBondContact O-N 3.07Å |
| 852 | Q | 78.7 | Confident | 82.3 | Confident | 132 Ų | 132 | 98.1 Ų | 98.1 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.8 | -39.2 | 171.8 | -73.4 | -177.9 | 29.7 | 0 | 0 | 112.2 | I848 G849 N850 K855 A856 | I848-Q852 WeakPolarHBondContact O-CG 3.39Å; I848-Q852 PolarHBondContact O-N 3.48Å; G849-Q852 PolarHBondContact O-N 3.32Å; N850-Q852 VanDerWaalsContact C-N 3.33Å; N850-Q852 PolarHBondContact O-N 2.87Å; Q852-K855 PolarHBondContact O-N 3.47Å; Q852-A856 PolarHBondContact O-N 2.72Å |
| 853 | L | 82.8 | Confident | 81.8 | Confident | 126 Ų | 126 | 97 Ų | 97 | 66% | 0.66 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -44.7 | 174.9 | -167.3 | 75.1 | 0 | 0 | 0 | 111.5 | G849 N850 A856 H857 | G849-L853 PolarHBondContact O-N 3.25Å; N850-L853 WeakPolarHBondContact O-CB 3.07Å; N850-L853 PolarHBondContact O-N 2.87Å; L853-A856 WeakPolarHBondContact O-CB 3.3Å; L853-A856 PolarHBondContact O-N 3.32Å; L853-H857 PolarHBondContact O-N 3.17Å |
| 854 | E | 79.2 | Confident | 81.5 | Confident | 126 Ų | 126 | 98.7 Ų | 98.7 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.5 | -37.6 | 176.5 | -173.1 | 169.5 | -160 | 0 | 0 | 111.9 | N850 A856 H857 Q858 | N850-E854 PolarHBondContact O-N 3.4Å; E854-A856 PolarHBondContact O-N 2.59Å; E854-H857 CarbonylContact O-C 3.56Å; E854-H857 WeakPolarHBondContact O-CB 3.49Å; E854-H857 PolarHBondContact O-N 3.01Å; E854-H857 VanDerWaalsContact O-N 3.15Å; E854-Q858 PolarHBondContact O-N 3.49Å |
| 855 | K | 80.8 | Confident | 81.1 | Confident | 139 Ų | 139 | 98.5 Ų | 98.5 | 60% | 0.604 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -39.9 | 171.8 | -174.1 | 175.9 | -178.8 | 178.4 | 0 | 112.2 | A851 Q852 H857 Q858 L859 | A851-K855 VanDerWaalsContact O-CB 3.28Å; A851-K855 WeakPolarHBondContact O-CB 3.3Å; A851-K855 PolarHBondContact O-N 3.07Å; Q852-K855 PolarHBondContact O-N 3.47Å; K855-H857 VanDerWaalsContact C-N 3.31Å; K855-Q858 PolarHBondContact O-N 3.33Å; K855-L859 WeakPolarHBondContact O-CG 3.43Å; K855-L859 PolarHBondContact O-N 3.21Å |
| 856 | A | 78.1 | Confident | 80.8 | Confident | 56 Ų | 56 | 97.4 Ų | 97.4 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.1 | -38 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q852 L853 E854 L859 S860 | Q852-A856 PolarHBondContact O-N 2.72Å; L853-A856 WeakPolarHBondContact O-CB 3.3Å; L853-A856 PolarHBondContact O-N 3.32Å; E854-A856 PolarHBondContact O-N 2.59Å; A856-L859 PolarHBondContact O-N 2.97Å; A856-S860 PolarHBondContact O-N 3.03Å |
| 857 | H | 81 | Confident | 80.6 | Confident | 126 Ų | 126 | 98 Ų | 98 | 58% | 0.583 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.6 | -43.1 | 173.7 | -164.8 | -92.4 | 0 | 0 | 0 | 112.3 | L853 E854 K855 L859 S860 V861 | L853-H857 PolarHBondContact O-N 3.17Å; E854-H857 CarbonylContact O-C 3.56Å; E854-H857 WeakPolarHBondContact O-CB 3.49Å; E854-H857 PolarHBondContact O-N 3.01Å; E854-H857 VanDerWaalsContact O-N 3.15Å; K855-H857 VanDerWaalsContact C-N 3.31Å; H857-L859 VanDerWaalsContact C-N 3.32Å; H857-L859 PolarHBondContact O-N 3.43Å; H857-S860 WeakPolarHBondContact O-CB 3.49Å; H857-S860 PolarHBondContact O-N 2.77Å; H857-V861 WeakPolarHBondContact O-CG2 3.44Å; H857-V861 PolarHBondContact O-N 3.25Å |
| 858 | Q | 75.1 | Confident | 80.5 | Confident | 121 Ų | 121 | 97.9 Ų | 97.9 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.2 | -39.1 | 173.1 | -75.2 | -170.3 | 5.3 | 0 | 0 | 112.4 | E854 K855 V861 T862 | E854-Q858 PolarHBondContact O-N 3.49Å; K855-Q858 PolarHBondContact O-N 3.33Å; Q858-V861 PolarHBondContact O-N 3.38Å; Q858-T862 VanDerWaalsContact O-CB 3.27Å; Q858-T862 WeakPolarHBondContact O-CB 3.3Å; Q858-T862 PolarHBondContact O-N 2.64Å; Q858-T862 PolarHBondContact O-OG1 2.76Å |
| 859 | L | 78.1 | Confident | 80.3 | Confident | 115 Ų | 115 | 98 Ų | 98 | 60% | 0.602 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66 | -39.7 | 175.7 | -72 | 168.7 | 0 | 0 | 0 | 111.6 | K855 A856 H857 T862 S863 | K855-L859 WeakPolarHBondContact O-CG 3.43Å; K855-L859 PolarHBondContact O-N 3.21Å; A856-L859 PolarHBondContact O-N 2.97Å; H857-L859 VanDerWaalsContact C-N 3.32Å; H857-L859 PolarHBondContact O-N 3.43Å; L859-T862 PolarHBondContact O-N 2.92Å; L859-S863 PolarHBondContact O-N 3.02Å |
| 860 | S | 83 | Confident | 80.1 | Confident | 59 Ų | 59 | 100.2 Ų | 100.2 | 41% | 0.413 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.9 | -50.1 | 173.2 | -174 | 0 | 0 | 0 | 0 | 112.1 | A856 H857 T862 S863 Q864 | A856-S860 PolarHBondContact O-N 3.03Å; H857-S860 WeakPolarHBondContact O-CB 3.49Å; H857-S860 PolarHBondContact O-N 2.77Å; S860-T862 VanDerWaalsContact C-N 3.31Å; S860-T862 PolarHBondContact O-N 2.83Å; S860-S863 WeakPolarHBondContact O-CB 3.4Å; S860-S863 PolarHBondContact O-N 3.48Å; S860-Q864 PolarHBondContact O-N 3.35Å |
| 861 | V | 80.9 | Confident | 80.2 | Confident | 63 Ų | 63 | 101.7 Ų | 101.7 | 38% | 0.382 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61 | -40.6 | 176.2 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | H857 Q858 S863 Q864 V865 | H857-V861 WeakPolarHBondContact O-CG2 3.44Å; H857-V861 PolarHBondContact O-N 3.25Å; Q858-V861 PolarHBondContact O-N 3.38Å; V861-S863 VanDerWaalsContact C-N 3.33Å; V861-S863 PolarHBondContact O-N 3.49Å; V861-Q864 PolarHBondContact O-N 2.84Å; V861-V865 HydrophobicContact CG1-CG2 4.4Å; V861-V865 WeakPolarHBondContact O-CG2 3.38Å; V861-V865 PolarHBondContact O-N 2.87Å |
| 862 | T | 77.2 | Confident | 80.2 | Confident | 88 Ų | 88 | 104.7 Ų | 104.7 | 54% | 0.54 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 177.1 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | Q858 L859 S860 V865 Q866 | Q858-T862 VanDerWaalsContact O-CB 3.27Å; Q858-T862 WeakPolarHBondContact O-CB 3.3Å; Q858-T862 PolarHBondContact O-N 2.64Å; Q858-T862 PolarHBondContact O-OG1 2.76Å; L859-T862 PolarHBondContact O-N 2.92Å; S860-T862 VanDerWaalsContact C-N 3.31Å; S860-T862 PolarHBondContact O-N 2.83Å; T862-V865 PolarHBondContact O-N 3.36Å; T862-Q866 WeakPolarHBondContact O-CB 3.42Å; T862-Q866 PolarHBondContact O-N 2.94Å |
| 863 | S | 77.4 | Confident | 80.5 | Confident | 81 Ų | 81 | 104.4 Ų | 104.4 | 57% | 0.566 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.9 | -44.9 | 174.1 | -164.5 | 0 | 0 | 0 | 0 | 111.9 | L859 S860 V861 V865 Q866 E867 | L859-S863 PolarHBondContact O-N 3.02Å; S860-S863 WeakPolarHBondContact O-CB 3.4Å; S860-S863 PolarHBondContact O-N 3.48Å; V861-S863 VanDerWaalsContact C-N 3.33Å; V861-S863 PolarHBondContact O-N 3.49Å; S863-V865 PolarHBondContact O-N 2.94Å; S863-Q866 PolarHBondContact O-N 3.37Å; S863-E867 PolarHBondContact O-N 2.79Å |
| 864 | Q | 83.3 | Confident | 80.3 | Confident | 113 Ų | 113 | 100.1 Ų | 100.1 | 53% | 0.528 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 176 | -66.8 | 176.5 | 17 | 0 | 0 | 112.1 | S860 V861 E867 L868 | S860-Q864 PolarHBondContact O-N 3.35Å; V861-Q864 PolarHBondContact O-N 2.84Å; Q864-E867 PolarHBondContact O-N 2.89Å; Q864-L868 WeakPolarHBondContact O-CB 3.41Å; Q864-L868 WeakPolarHBondContact O-CG 3.46Å; Q864-L868 PolarHBondContact O-N 3.02Å |
| 865 | V | 78.5 | Confident | 80.3 | Confident | 81 Ų | 81 | 99.7 Ų | 99.7 | 49% | 0.491 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 174.3 | 169.7 | 0 | 0 | 0 | 0 | 111 | V861 T862 S863 E867 L868 Q869 | V861-V865 HydrophobicContact CG1-CG2 4.4Å; V861-V865 WeakPolarHBondContact O-CG2 3.38Å; V861-V865 PolarHBondContact O-N 2.87Å; T862-V865 PolarHBondContact O-N 3.36Å; S863-V865 PolarHBondContact O-N 2.94Å; V865-E867 VanDerWaalsContact C-N 3.35Å; V865-E867 PolarHBondContact O-N 3.38Å; V865-L868 PolarHBondContact O-N 3.28Å; V865-Q869 VanDerWaalsContact O-CB 3.27Å; V865-Q869 WeakPolarHBondContact O-CB 3.27Å; V865-Q869 PolarHBondContact O-N 3.36Å |
| 866 | Q | 79.3 | Confident | 80.1 | Confident | 88 Ų | 88 | 99 Ų | 99 | 41% | 0.411 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -39.1 | 177.2 | -173.6 | 61 | 80.6 | 0 | 0 | 112.3 | T862 S863 Q869 N870 | T862-Q866 WeakPolarHBondContact O-CB 3.42Å; T862-Q866 PolarHBondContact O-N 2.94Å; S863-Q866 PolarHBondContact O-N 3.37Å; Q866-Q869 PolarHBondContact O-N 2.75Å; Q866-N870 PolarHBondContact NE2-OD1 3.04Å; Q866-N870 PolarHBondContact O-N 3.5Å; Q866-N870 PolarHBondContact O-ND2 3.25Å |
| 867 | E | 81.9 | Confident | 80.2 | Confident | 146 Ų | 146 | 102.1 Ų | 102.1 | 68% | 0.682 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.2 | -44.5 | 176.8 | -168.7 | 166.2 | -130.8 | 0 | 0 | 111.6 | S863 Q864 V865 Q869 N870 L871 | S863-E867 PolarHBondContact O-N 2.79Å; Q864-E867 PolarHBondContact O-N 2.89Å; V865-E867 VanDerWaalsContact C-N 3.35Å; V865-E867 PolarHBondContact O-N 3.38Å; E867-Q869 VanDerWaalsContact C-N 3.32Å; E867-Q869 PolarHBondContact O-N 3.15Å; E867-N870 PolarHBondContact O-N 2.87Å; E867-L871 PolarHBondContact O-N 3.46Å |
| 868 | L | 84.4 | Confident | 80.1 | Confident | 114 Ų | 114 | 100.9 Ų | 100.9 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.2 | -38.6 | 171.5 | -72.3 | 170.8 | 0 | 0 | 0 | 112.3 | Q864 V865 L871 L872 | Q864-L868 WeakPolarHBondContact O-CB 3.41Å; Q864-L868 WeakPolarHBondContact O-CG 3.46Å; Q864-L868 PolarHBondContact O-N 3.02Å; V865-L868 PolarHBondContact O-N 3.28Å; L868-L871 PolarHBondContact O-N 3.45Å; L868-L872 WeakPolarHBondContact O-CB 3.36Å; L868-L872 PolarHBondContact O-N 3Å |
| 869 | Q | 77.5 | Confident | 80.1 | Confident | 98 Ų | 98 | 99 Ų | 99 | 46% | 0.458 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.2 | -34.1 | 178.6 | -161.4 | -179.8 | 58.7 | 0 | 0 | 111.9 | V865 Q866 E867 R873 | V865-Q869 VanDerWaalsContact O-CB 3.27Å; V865-Q869 WeakPolarHBondContact O-CB 3.27Å; V865-Q869 PolarHBondContact O-N 3.36Å; Q866-Q869 PolarHBondContact O-N 2.75Å; E867-Q869 VanDerWaalsContact C-N 3.32Å; E867-Q869 PolarHBondContact O-N 3.15Å; Q869-R873 WeakPolarHBondContact O-CB 3.48Å; Q869-R873 PolarHBondContact O-N 2.95Å |
| 870 | N | 81.7 | Confident | 80.1 | Confident | 84 Ų | 84 | 97.9 Ų | 97.9 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.7 | -40.2 | 171.1 | -68.9 | -19.6 | 0 | 0 | 0 | 111.6 | Q866 E867 L872 R873 G874 | Q866-N870 PolarHBondContact NE2-OD1 3.04Å; Q866-N870 PolarHBondContact O-N 3.5Å; Q866-N870 PolarHBondContact O-ND2 3.25Å; E867-N870 PolarHBondContact O-N 2.87Å; N870-L872 VanDerWaalsContact C-N 3.34Å; N870-R873 PolarHBondContact O-N 2.8Å; N870-G874 PolarHBondContact O-N 2.98Å |
| 871 | L | 85.3 | Confident | 79.7 | Confident | 121 Ų | 121 | 99 Ų | 99 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -39 | 175.2 | -161.3 | 74.5 | 0 | 0 | 0 | 111.9 | E867 L868 G874 K875 | E867-L871 PolarHBondContact O-N 3.46Å; L868-L871 PolarHBondContact O-N 3.45Å; L871-G874 PolarHBondContact O-N 3.22Å; L871-K875 WeakPolarHBondContact O-CG 3.3Å; L871-K875 PolarHBondContact O-N 2.84Å; L871-K875 VanDerWaalsContact O-N 3.09Å |
| 872 | L | 79.6 | Confident | 79.4 | Confident | 121 Ų | 121 | 101.1 Ų | 101.1 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -43.4 | 175.3 | -166.1 | 73.5 | 0 | 0 | 0 | 111.4 | L868 N870 G874 K875 E876 | L868-L872 WeakPolarHBondContact O-CB 3.36Å; L868-L872 PolarHBondContact O-N 3Å; N870-L872 VanDerWaalsContact C-N 3.34Å; L872-G874 PolarHBondContact O-N 3.47Å; L872-K875 CarbonylContact O-C 3.59Å; L872-K875 WeakPolarHBondContact O-CA 3.25Å; L872-K875 WeakPolarHBondContact O-CB 3.31Å; L872-K875 PolarHBondContact O-N 3.17Å; L872-K875 VanDerWaalsContact O-N 3.07Å; L872-E876 PolarHBondContact O-N 2.85Å |
| 873 | R | 84.8 | Confident | 79.5 | Confident | 127 Ų | 127 | 102.5 Ų | 102.5 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 174.6 | -169.3 | -166.2 | -53.5 | -86.2 | -2.5 | 111.9 | Q869 N870 K875 E876 E877 | Q869-R873 WeakPolarHBondContact O-CB 3.48Å; Q869-R873 PolarHBondContact O-N 2.95Å; N870-R873 PolarHBondContact O-N 2.8Å; R873-K875 PolarHBondContact O-N 2.75Å; R873-E876 WeakPolarHBondContact O-CB 3.38Å; R873-E876 PolarHBondContact O-N 3.42Å; R873-E876 VanDerWaalsContact O-N 3.11Å; R873-E877 WeakPolarHBondContact O-CG 3.28Å; R873-E877 PolarHBondContact O-N 3.33Å |
| 874 | G | 78.9 | Confident | 79.3 | Confident | 35 Ų | 35 | 101.2 Ų | 101.2 | 36% | 0.361 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -27.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N870 L871 L872 Q878 | N870-G874 PolarHBondContact O-N 2.98Å; L871-G874 PolarHBondContact O-N 3.22Å; L872-G874 PolarHBondContact O-N 3.47Å; G874-Q878 WeakPolarHBondContact O-CB 3.47Å; G874-Q878 PolarHBondContact O-N 3.47Å; G874-Q878 VanDerWaalsContact O-N 3.16Å |
| 875 | K | 80.1 | Confident | 78.7 | Confident | 117 Ų | 117 | 98.6 Ų | 98.6 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -75.9 | -37.1 | 171.4 | -75.1 | -74.6 | 164.5 | -169.5 | 0 | 112.8 | L871 L872 R873 Q878 V879 | L871-K875 WeakPolarHBondContact O-CG 3.3Å; L871-K875 PolarHBondContact O-N 2.84Å; L871-K875 VanDerWaalsContact O-N 3.09Å; L872-K875 CarbonylContact O-C 3.59Å; L872-K875 WeakPolarHBondContact O-CA 3.25Å; L872-K875 WeakPolarHBondContact O-CB 3.31Å; L872-K875 PolarHBondContact O-N 3.17Å; L872-K875 VanDerWaalsContact O-N 3.07Å; R873-K875 PolarHBondContact O-N 2.75Å; K875-Q878 PolarHBondContact O-N 2.93Å; K875-V879 WeakPolarHBondContact O-CG2 3.43Å; K875-V879 PolarHBondContact O-N 2.74Å |
| 876 | E | 77.2 | Confident | 78.4 | Confident | 125 Ų | 125 | 100.1 Ų | 100.1 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.1 | -42.2 | 174.7 | -172.3 | 169.3 | -143.1 | 0 | 0 | 111.5 | L872 R873 Q878 V879 N880 | L872-E876 PolarHBondContact O-N 2.85Å; R873-E876 WeakPolarHBondContact O-CB 3.38Å; R873-E876 PolarHBondContact O-N 3.42Å; R873-E876 VanDerWaalsContact O-N 3.11Å; E876-Q878 PolarHBondContact O-N 3.48Å; E876-V879 PolarHBondContact O-N 3.32Å; E876-N880 WeakPolarHBondContact O-CB 3.2Å; E876-N880 PolarHBondContact O-N 2.78Å; E876-N880 PolarHBondContact O-ND2 2.84Å |
| 877 | E | 78.9 | Confident | 78.2 | Confident | 121 Ų | 121 | 99.9 Ų | 99.9 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.7 | -42.7 | 170.4 | -71.3 | 167.3 | -164.6 | 0 | 0 | 111.9 | R873 N880 S881 | R873-E877 WeakPolarHBondContact O-CG 3.28Å; R873-E877 PolarHBondContact O-N 3.33Å; E877-N880 PolarHBondContact O-N 2.87Å; E877-S881 WeakPolarHBondContact O-CB 3.39Å; E877-S881 PolarHBondContact O-N 3.44Å |
| 878 | Q | 78.1 | Confident | 77.4 | Confident | 101 Ų | 101 | 97.6 Ų | 97.6 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -38.7 | 174.5 | -179.4 | 164.3 | 75.9 | 0 | 0 | 112.5 | G874 K875 E876 M882 | G874-Q878 WeakPolarHBondContact O-CB 3.47Å; G874-Q878 PolarHBondContact O-N 3.47Å; G874-Q878 VanDerWaalsContact O-N 3.16Å; K875-Q878 PolarHBondContact O-N 2.93Å; E876-Q878 PolarHBondContact O-N 3.48Å; Q878-M882 WeakPolarHBondContact O-CG 3.27Å; Q878-M882 PolarHBondContact O-N 2.87Å |
| 879 | V | 76.9 | Confident | 76.5 | Confident | 82 Ų | 82 | 99.8 Ų | 99.8 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | 174.1 | 167.5 | 0 | 0 | 0 | 0 | 111.6 | K875 E876 S881 M882 K883 | K875-V879 WeakPolarHBondContact O-CG2 3.43Å; K875-V879 PolarHBondContact O-N 2.74Å; E876-V879 PolarHBondContact O-N 3.32Å; V879-S881 VanDerWaalsContact C-N 3.32Å; V879-S881 PolarHBondContact O-N 3.14Å; V879-M882 HydrophobicContact CB-CE 4.49Å; V879-M882 HydrophobicContact CG2-CE 3.96Å; V879-M882 PolarHBondContact O-N 2.82Å; V879-K883 WeakPolarHBondContact O-CB 3.37Å; V879-K883 PolarHBondContact O-N 3.22Å |
| 880 | N | 77.9 | Confident | 75.7 | Confident | 91 Ų | 91 | 98.6 Ų | 98.6 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -37.4 | 176.6 | -75.7 | -45.7 | 0 | 0 | 0 | 112 | E876 E877 K883 A884 | E876-N880 WeakPolarHBondContact O-CB 3.2Å; E876-N880 PolarHBondContact O-N 2.78Å; E876-N880 PolarHBondContact O-ND2 2.84Å; E877-N880 PolarHBondContact O-N 2.87Å; N880-K883 PolarHBondContact O-N 3.32Å; N880-A884 PolarHBondContact O-N 2.91Å |
| 881 | S | 74.6 | Confident | 74.9 | Confident | 83 Ų | 83 | 101.2 Ų | 101.2 | 58% | 0.58 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.3 | -45.4 | 171.8 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | E877 V879 K883 A884 A885 | E877-S881 WeakPolarHBondContact O-CB 3.39Å; E877-S881 PolarHBondContact O-N 3.44Å; V879-S881 VanDerWaalsContact C-N 3.32Å; V879-S881 PolarHBondContact O-N 3.14Å; S881-K883 VanDerWaalsContact C-N 3.32Å; S881-K883 PolarHBondContact O-N 3.49Å; S881-A884 PolarHBondContact O-N 3.28Å; S881-A885 PolarHBondContact O-N 3.25Å; S881-A885 VanDerWaalsContact O-N 3.12Å |
| 882 | M | 73.7 | Confident | 73.4 | Confident | 107 Ų | 107 | 101.8 Ų | 101.8 | 53% | 0.527 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 173 | -70.5 | -171 | -61.6 | 0 | 0 | 112.5 | Q878 V879 A885 L886 | Q878-M882 WeakPolarHBondContact O-CG 3.27Å; Q878-M882 PolarHBondContact O-N 2.87Å; V879-M882 HydrophobicContact CB-CE 4.49Å; V879-M882 HydrophobicContact CG2-CE 3.96Å; V879-M882 PolarHBondContact O-N 2.82Å; M882-A885 PolarHBondContact O-N 2.9Å; M882-L886 WeakPolarHBondContact O-CG 3.28Å; M882-L886 PolarHBondContact O-N 2.97Å |
| 883 | K | 79.3 | Confident | 72.1 | Confident | 116 Ų | 116 | 100.9 Ų | 100.9 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 177.2 | -169 | -170.6 | 178.9 | -152.5 | 0 | 111.5 | V879 N880 S881 A885 L886 E887 | V879-K883 WeakPolarHBondContact O-CB 3.37Å; V879-K883 PolarHBondContact O-N 3.22Å; N880-K883 PolarHBondContact O-N 3.32Å; S881-K883 VanDerWaalsContact C-N 3.32Å; S881-K883 PolarHBondContact O-N 3.49Å; K883-A885 VanDerWaalsContact C-N 3.33Å; K883-A885 PolarHBondContact O-N 3.39Å; K883-L886 PolarHBondContact O-N 2.93Å; K883-E887 WeakPolarHBondContact CE-OE1 3.5Å; K883-E887 IonicContact NZ-OE1 3.6Å; K883-E887 PolarHBondContact NZ-OE1 2.84Å; K883-E887 WeakPolarHBondContact O-CG 3.32Å; K883-E887 PolarHBondContact O-N 2.9Å |
| 884 | A | 74 | Confident | 70.6 | Confident | 55 Ų | 55 | 103.1 Ų | 103.1 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | N880 S881 E887 D888 | N880-A884 PolarHBondContact O-N 2.91Å; S881-A884 PolarHBondContact O-N 3.28Å; A884-E887 PolarHBondContact O-N 3.17Å; A884-D888 PolarHBondContact O-N 2.85Å |
| 885 | A | 71.1 | Confident | 69.3 | Low | 57 Ų | 57 | 104.6 Ų | 104.6 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.3 | -32.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S881 M882 K883 R889 | S881-A885 PolarHBondContact O-N 3.25Å; S881-A885 VanDerWaalsContact O-N 3.12Å; M882-A885 PolarHBondContact O-N 2.9Å; K883-A885 VanDerWaalsContact C-N 3.33Å; K883-A885 PolarHBondContact O-N 3.39Å; A885-R889 PolarHBondContact O-N 2.86Å; A885-R889 VanDerWaalsContact O-N 3.16Å |
| 886 | L | 71.6 | Confident | 67.4 | Low | 113 Ų | 113 | 109.3 Ų | 109.3 | 59% | 0.592 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.5 | -45.5 | 170.7 | -74.1 | 171.1 | 0 | 0 | 0 | 111.1 | M882 K883 D888 R889 D890 | M882-L886 WeakPolarHBondContact O-CG 3.28Å; M882-L886 PolarHBondContact O-N 2.97Å; K883-L886 PolarHBondContact O-N 2.93Å; L886-D888 VanDerWaalsContact C-N 3.25Å; L886-D888 PolarHBondContact O-N 3.22Å; L886-R889 CarbonylContact O-C 3.58Å; L886-R889 WeakPolarHBondContact O-CB 3.41Å; L886-R889 PolarHBondContact O-N 2.96Å; L886-R889 VanDerWaalsContact O-N 3.11Å; L886-D890 WeakPolarHBondContact O-CB 3.49Å; L886-D890 PolarHBondContact O-N 3.43Å |
| 887 | E | 75.8 | Confident | 65.3 | Low | 83 Ų | 83 | 107.3 Ų | 107.3 | 39% | 0.388 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.6 | -30.5 | 177.2 | -73 | 177.5 | -162.8 | 0 | 0 | 112.9 | K883 A884 D890 R891 | K883-E887 WeakPolarHBondContact CE-OE1 3.5Å; K883-E887 IonicContact NZ-OE1 3.6Å; K883-E887 PolarHBondContact NZ-OE1 2.84Å; K883-E887 WeakPolarHBondContact O-CG 3.32Å; K883-E887 PolarHBondContact O-N 2.9Å; A884-E887 PolarHBondContact O-N 3.17Å; E887-D890 PolarHBondContact O-N 3.44Å; E887-R891 WeakPolarHBondContact O-CG 3.31Å; E887-R891 PolarHBondContact O-N 3.48Å |
| 888 | D | 64.5 | Low | 62.9 | Low | 99 Ų | 99 | 108.1 Ų | 108.1 | 53% | 0.529 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.2 | -45.1 | 170.1 | -113.1 | 5.3 | 0 | 0 | 0 | 112.5 | A884 L886 D890 R891 D892 | A884-D888 PolarHBondContact O-N 2.85Å; L886-D888 VanDerWaalsContact C-N 3.25Å; L886-D888 PolarHBondContact O-N 3.22Å; D888-D890 PolarHBondContact O-N 3.33Å; D888-R891 WeakPolarHBondContact O-CB 3.28Å; D888-R891 PolarHBondContact O-N 3.03Å; D888-R891 VanDerWaalsContact O-N 3.17Å; D888-R891 IonicContact OD1-CZ 3.14Å; D888-R891 IonicContact OD1-NE 2.76Å; D888-R891 PolarHBondContact OD1-NE 2.9Å; D888-R891 IonicContact OD1-NH2 2.79Å; D888-R891 PolarHBondContact OD1-NH2 3.2Å; D888-D892 PolarHBondContact O-N 2.88Å |
| 889 | R | 64.9 | Low | 60.4 | Low | 160 Ų | 160 | 109.1 Ų | 109.1 | 60% | 0.604 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.7 | -33.2 | 171.7 | -75 | -178.9 | 60.8 | 82.8 | 2.3 | 112.2 | A885 L886 D892 L893 | A885-R889 PolarHBondContact O-N 2.86Å; A885-R889 VanDerWaalsContact O-N 3.16Å; L886-R889 CarbonylContact O-C 3.58Å; L886-R889 WeakPolarHBondContact O-CB 3.41Å; L886-R889 PolarHBondContact O-N 2.96Å; L886-R889 VanDerWaalsContact O-N 3.11Å; R889-D892 WeakPolarHBondContact O-CB 3.31Å; R889-D892 PolarHBondContact O-N 3.17Å; R889-L893 WeakPolarHBondContact O-CB 3.18Å; R889-L893 VanDerWaalsContact O-CG 3.25Å; R889-L893 WeakPolarHBondContact O-CG 3.48Å; R889-L893 PolarHBondContact O-N 3.04Å |
| 890 | D | 62.1 | Low | 58.1 | Low | 73 Ų | 73 | 109.2 Ų | 109.2 | 39% | 0.39 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -76.8 | -27 | -179.7 | -139.3 | 49.8 | 0 | 0 | 0 | 112.1 | L886 E887 D888 R894 | L886-D890 WeakPolarHBondContact O-CB 3.49Å; L886-D890 PolarHBondContact O-N 3.43Å; E887-D890 PolarHBondContact O-N 3.44Å; D888-D890 PolarHBondContact O-N 3.33Å; D890-R894 VanDerWaalsContact O-CZ 3.26Å; D890-R894 PolarHBondContact O-N 3.19Å; D890-R894 PolarHBondContact O-NE 2.9Å; D890-R894 PolarHBondContact O-NH2 2.93Å; D890-R894 IonicContact OD2-CZ 3.47Å; D890-R894 IonicContact OD2-NH1 2.82Å; D890-R894 PolarHBondContact OD2-NH1 3.07Å; D890-R894 IonicContact OD2-NH2 2.66Å; D890-R894 PolarHBondContact OD2-NH2 2.84Å |
| 891 | R | 64.3 | Low | 56 | Low | 139 Ų | 139 | 113 Ų | 113 | 53% | 0.525 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65.6 | -46.3 | 163.7 | -76.6 | -179.4 | -81 | -86.5 | 6.4 | 111 | E887 D888 L893 | E887-R891 WeakPolarHBondContact O-CG 3.31Å; E887-R891 PolarHBondContact O-N 3.48Å; D888-R891 WeakPolarHBondContact O-CB 3.28Å; D888-R891 PolarHBondContact O-N 3.03Å; D888-R891 VanDerWaalsContact O-N 3.17Å; D888-R891 IonicContact OD1-CZ 3.14Å; D888-R891 IonicContact OD1-NE 2.76Å; D888-R891 PolarHBondContact OD1-NE 2.9Å; D888-R891 IonicContact OD1-NH2 2.79Å; D888-R891 PolarHBondContact OD1-NH2 3.2Å; R891-L893 PolarHBondContact O-N 2.89Å |
| 892 | D | 53.3 | Low | 53.9 | Low | 132 Ų | 132 | 114.8 Ų | 114.8 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.7 | -39.6 | 177.7 | -114.7 | 15.4 | 0 | 0 | 0 | 113 | D888 R889 G895 | D888-D892 PolarHBondContact O-N 2.88Å; R889-D892 WeakPolarHBondContact O-CB 3.31Å; R889-D892 PolarHBondContact O-N 3.17Å; D892-G895 PolarHBondContact O-N 3.43Å |
| 893 | L | 52.5 | Low | 51.6 | Low | 102 Ų | 102 | 115.5 Ų | 115.5 | 53% | 0.534 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -74.2 | -35.3 | -179.3 | -74.3 | 169 | 0 | 0 | 0 | 113 | R889 R891 G895 R896 | R889-L893 WeakPolarHBondContact O-CB 3.18Å; R889-L893 VanDerWaalsContact O-CG 3.25Å; R889-L893 WeakPolarHBondContact O-CG 3.48Å; R889-L893 PolarHBondContact O-N 3.04Å; R891-L893 PolarHBondContact O-N 2.89Å; L893-G895 PolarHBondContact O-N 2.66Å; L893-R896 PolarHBondContact O-N 2.9Å; L893-R896 VanDerWaalsContact O-N 3.1Å |
| 894 | R | 52.9 | Low | 49.3 | Very low | 174 Ų | 174 | 114.4 Ų | 114.4 | 66% | 0.657 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -9.9 | 173.3 | -88.4 | -177 | -79.3 | -80.3 | -1.5 | 114 | D890 R896 | D890-R894 VanDerWaalsContact O-CZ 3.26Å; D890-R894 PolarHBondContact O-N 3.19Å; D890-R894 PolarHBondContact O-NE 2.9Å; D890-R894 PolarHBondContact O-NH2 2.93Å; D890-R894 IonicContact OD2-CZ 3.47Å; D890-R894 IonicContact OD2-NH1 2.82Å; D890-R894 PolarHBondContact OD2-NH1 3.07Å; D890-R894 IonicContact OD2-NH2 2.66Å; D890-R894 PolarHBondContact OD2-NH2 2.84Å; R894-R896 VanDerWaalsContact C-N 3.27Å; R894-R896 PolarHBondContact O-N 2.89Å |
| 895 | G | 51.9 | Low | 47.2 | Very low | 66 Ų | 66 | 118 Ų | 118 | 68% | 0.68 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -2.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | D892 L893 | D892-G895 PolarHBondContact O-N 3.43Å; L893-G895 PolarHBondContact O-N 2.66Å |
| 896 | R | 40.5 | Very low | 46.3 | Very low | 217 Ų | 217 | 120.8 Ų | 120.8 | 82% | 0.819 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -142.6 | 120.3 | -173.7 | -56 | -179.5 | -156.7 | -104.7 | -2.5 | 115.4 | L893 R894 | L893-R896 PolarHBondContact O-N 2.9Å; L893-R896 VanDerWaalsContact O-N 3.1Å; R894-R896 VanDerWaalsContact C-N 3.27Å; R894-R896 PolarHBondContact O-N 2.89Å |
| 897 | G | 33.3 | Very low | 44.9 | Very low | 83 Ų | 83 | 121.2 Ų | 121.2 | 86% | 0.856 | 68% | 0.675 | S | S | * | * | trans | 100.1 | 121.9 | 143 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 898 | T | 28.8 | Very low | 43.6 | Very low | 138 Ų | 138 | 124.4 Ų | 124.4 | 85% | 0.847 | 69% | 0.688 | S | S | * | * | trans | -117.4 | 178.9 | 172.2 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 899 | C | 25.7 | Very low | 42.9 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 82% | 0.818 | 70% | 0.702 | S | S | * | * | trans | 82.6 | 134.4 | -177.4 | -69 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 900 | A | 28.1 | Very low | 42.5 | Very low | 85 Ų | 85 | 126 Ų | 126 | 70% | 0.702 | 70% | 0.699 | S | S | * | * | cis | 83.9 | 145 | 40.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 901 | Q | 32.8 | Very low | 42.3 | Very low | 170 Ų | 170 | 126.2 Ų | 126.2 | 79% | 0.794 | 70% | 0.7 | S | S | * | * | cis | -177.4 | 159.4 | -1.4 | 150.8 | -175.1 | -4.1 | 0 | 0 | 110.8 | ||||
| 902 | V | 30.7 | Very low | 42.2 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | trans | 65 | 131.9 | 159.8 | 159 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 903 | C | 25.1 | Very low | 42.7 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 82% | 0.824 | 69% | 0.688 | S | S | * | * | -165.9 | 170.7 | 117.5 | -150.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 904 | S | 30.9 | Very low | 43.7 | Very low | 93 Ų | 93 | 119.2 Ų | 119.2 | 65% | 0.65 | 68% | 0.677 | S | S | * | * | trans | -151.1 | 152.9 | -169.2 | -55.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 905 | T | 30.3 | Very low | 44.6 | Very low | 129 Ų | 129 | 115.9 Ų | 115.9 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | trans | 62.7 | 164 | 160.2 | 47.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 906 | P | 51.8 | Low | 45.8 | Very low | 116 Ų | 116 | 118.6 Ų | 118.6 | 75% | 0.753 | 67% | 0.665 | S | S | * | * | cis | -123.6 | 148.7 | -11.6 | 35.1 | -19.7 | 0 | 0 | 0 | 114.6 | ||||
| 907 | Q | 43.5 | Very low | 47.5 | Very low | 123 Ų | 123 | 114 Ų | 114 | 58% | 0.575 | 65% | 0.653 | S | S | * | * | trans | -148.7 | 37 | 167.9 | -158.8 | 169.4 | -4.5 | 0 | 0 | 111 | E909 E910 L911 | Q907-E909 PolarHBondContact O-N 2.88Å; Q907-E910 HydrophobicContact CG-CB 4.43Å; Q907-E910 PolarHBondContact NE2-OE2 2.78Å; Q907-L911 HydrophobicContact CB-CD1 4.24Å; Q907-L911 WeakPolarHBondContact O-CB 3.49Å; Q907-L911 VanDerWaalsContact O-CG 3.31Å; Q907-L911 WeakPolarHBondContact O-CG 3.35Å; Q907-L911 PolarHBondContact O-N 3.38Å | ||
| 908 | F | 48.1 | Very low | 49.7 | Very low | 150 Ų | 150 | 115.7 Ų | 115.7 | 66% | 0.658 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73.8 | -28.6 | -149.6 | -149.7 | -97.9 | 0 | 0 | 0 | 116 | L911 E912 | F908-L911 CarbonylContact O-C 3.55Å; F908-L911 WeakPolarHBondContact O-CB 3.45Å; F908-E912 PolarHBondContact O-N 2.9Å |
| 909 | E | 50.3 | Low | 52.1 | Low | 177 Ų | 177 | 112.7 Ų | 112.7 | 83% | 0.827 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -84.3 | -35 | -177.5 | -65.4 | 174.6 | 133.8 | 0 | 0 | 112.5 | Q907 L911 E912 S913 | Q907-E909 PolarHBondContact O-N 2.88Å; E909-L911 VanDerWaalsContact C-N 3.32Å; E909-E912 PolarHBondContact O-N 2.84Å; E909-S913 PolarHBondContact O-N 3.46Å |
| 910 | E | 55.7 | Low | 54.6 | Low | 116 Ų | 116 | 111.1 Ų | 111.1 | 54% | 0.542 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.5 | -38.8 | 165.5 | -173.9 | 174.3 | -155.3 | 0 | 0 | 110.2 | Q907 E912 S913 V914 | Q907-E910 HydrophobicContact CG-CB 4.43Å; Q907-E910 PolarHBondContact NE2-OE2 2.78Å; E910-E912 VanDerWaalsContact C-N 3.25Å; E910-E912 PolarHBondContact O-N 3.46Å; E910-S913 PolarHBondContact O-N 3.35Å; E910-S913 PolarHBondContact O-OG 2.89Å; E910-V914 HydrophobicContact CG-CG2 4.42Å; E910-V914 VanDerWaalsContact O-CB 3.32Å; E910-V914 WeakPolarHBondContact O-CB 3.22Å; E910-V914 VanDerWaalsContact O-CG2 3.26Å; E910-V914 WeakPolarHBondContact O-CG2 3.48Å; E910-V914 PolarHBondContact O-N 3.44Å |
| 911 | L | 57.3 | Low | 57.1 | Low | 77 Ų | 77 | 110.1 Ų | 110.1 | 40% | 0.403 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.8 | -26.9 | 170.2 | -81.5 | 167.6 | 0 | 0 | 0 | 113.4 | Q907 F908 E909 L915 | Q907-L911 HydrophobicContact CB-CD1 4.24Å; Q907-L911 WeakPolarHBondContact O-CB 3.49Å; Q907-L911 VanDerWaalsContact O-CG 3.31Å; Q907-L911 WeakPolarHBondContact O-CG 3.35Å; Q907-L911 PolarHBondContact O-N 3.38Å; F908-L911 CarbonylContact O-C 3.55Å; F908-L911 WeakPolarHBondContact O-CB 3.45Å; E909-L911 VanDerWaalsContact C-N 3.32Å; L911-L915 WeakPolarHBondContact O-CA 3.46Å; L911-L915 WeakPolarHBondContact O-CB 3.29Å; L911-L915 WeakPolarHBondContact O-CD1 3.46Å; L911-L915 WeakPolarHBondContact O-CG 3.32Å; L911-L915 PolarHBondContact O-N 3.22Å |
| 912 | E | 63.3 | Low | 59.3 | Low | 99 Ų | 99 | 106 Ų | 106 | 46% | 0.463 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -77.1 | -38.5 | 178.7 | -153.9 | -160.8 | 133.1 | 0 | 0 | 112.6 | F908 E909 E910 L915 K916 | F908-E912 PolarHBondContact O-N 2.9Å; E909-E912 PolarHBondContact O-N 2.84Å; E910-E912 VanDerWaalsContact C-N 3.25Å; E910-E912 PolarHBondContact O-N 3.46Å; E912-L915 PolarHBondContact O-N 2.91Å; E912-K916 PolarHBondContact O-N 2.84Å; E912-K916 IonicContact OE1-NZ 3.04Å; E912-K916 PolarHBondContact OE1-NZ 3.4Å |
| 913 | S | 64.1 | Low | 61.8 | Low | 76 Ų | 76 | 104.9 Ų | 104.9 | 53% | 0.531 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.3 | -42.7 | 173.8 | 69.8 | 0 | 0 | 0 | 0 | 111 | E909 E910 L915 K916 E917 | E909-S913 PolarHBondContact O-N 3.46Å; E910-S913 PolarHBondContact O-N 3.35Å; E910-S913 PolarHBondContact O-OG 2.89Å; S913-L915 VanDerWaalsContact C-N 3.34Å; S913-L915 PolarHBondContact O-N 3.36Å; S913-K916 PolarHBondContact O-N 3.07Å; S913-E917 PolarHBondContact O-N 2.98Å |
| 914 | V | 72.1 | Confident | 64.5 | Low | 50 Ų | 50 | 105 Ų | 105 | 30% | 0.303 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 171.6 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | E910 K916 E917 K918 | E910-V914 HydrophobicContact CG-CG2 4.42Å; E910-V914 VanDerWaalsContact O-CB 3.32Å; E910-V914 WeakPolarHBondContact O-CB 3.22Å; E910-V914 VanDerWaalsContact O-CG2 3.26Å; E910-V914 WeakPolarHBondContact O-CG2 3.48Å; E910-V914 PolarHBondContact O-N 3.44Å; V914-K916 PolarHBondContact O-N 3.35Å; V914-E917 PolarHBondContact O-N 3.4Å; V914-K918 HydrophobicContact CG1-CG 3.83Å; V914-K918 VanDerWaalsContact O-CB 3.27Å; V914-K918 WeakPolarHBondContact O-CB 3.4Å; V914-K918 WeakPolarHBondContact O-CG 3.36Å; V914-K918 PolarHBondContact O-N 2.98Å |
| 915 | L | 73.2 | Confident | 67 | Low | 104 Ų | 104 | 104.9 Ų | 104.9 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 174.3 | -86.4 | 164.7 | 0 | 0 | 0 | 110.9 | L911 E912 S913 E917 K918 D919 | L911-L915 WeakPolarHBondContact O-CA 3.46Å; L911-L915 WeakPolarHBondContact O-CB 3.29Å; L911-L915 WeakPolarHBondContact O-CD1 3.46Å; L911-L915 WeakPolarHBondContact O-CG 3.32Å; L911-L915 PolarHBondContact O-N 3.22Å; E912-L915 PolarHBondContact O-N 2.91Å; S913-L915 VanDerWaalsContact C-N 3.34Å; S913-L915 PolarHBondContact O-N 3.36Å; L915-E917 PolarHBondContact O-N 3.39Å; L915-K918 CarbonylContact O-C 3.49Å; L915-K918 PolarHBondContact O-N 2.81Å; L915-D919 WeakPolarHBondContact O-CB 3.45Å; L915-D919 PolarHBondContact O-N 2.94Å |
| 916 | K | 76.2 | Confident | 69.4 | Low | 124 Ų | 124 | 104.1 Ų | 104.1 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 175.9 | -82.5 | 164.8 | 176.4 | 148.9 | 0 | 113.1 | E912 S913 V914 N920 | E912-K916 PolarHBondContact O-N 2.84Å; E912-K916 IonicContact OE1-NZ 3.04Å; E912-K916 PolarHBondContact OE1-NZ 3.4Å; S913-K916 PolarHBondContact O-N 3.07Å; V914-K916 PolarHBondContact O-N 3.35Å; K916-N920 PolarHBondContact O-N 3.29Å; K916-N920 VanDerWaalsContact O-N 3.17Å; K916-N920 PolarHBondContact O-ND2 3.45Å |
| 917 | E | 77.1 | Confident | 70.9 | Confident | 120 Ų | 120 | 102.8 Ų | 102.8 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68.4 | -44.4 | 173.4 | -174.1 | 173.1 | -146.6 | 0 | 0 | 111.5 | S913 V914 L915 D919 N920 E921 | S913-E917 PolarHBondContact O-N 2.98Å; V914-E917 PolarHBondContact O-N 3.4Å; L915-E917 PolarHBondContact O-N 3.39Å; E917-D919 VanDerWaalsContact C-N 3.35Å; E917-D919 PolarHBondContact O-N 2.65Å; E917-N920 PolarHBondContact O-N 2.96Å; E917-E921 WeakPolarHBondContact O-CB 3.32Å; E917-E921 PolarHBondContact O-N 2.92Å |
| 918 | K | 78.4 | Confident | 72.8 | Confident | 119 Ų | 119 | 103.4 Ų | 103.4 | 52% | 0.517 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.6 | -31.7 | 177 | -65.6 | -64.2 | 173.1 | -166.8 | 0 | 112.5 | V914 L915 E921 I922 | V914-K918 HydrophobicContact CG1-CG 3.83Å; V914-K918 VanDerWaalsContact O-CB 3.27Å; V914-K918 WeakPolarHBondContact O-CB 3.4Å; V914-K918 WeakPolarHBondContact O-CG 3.36Å; V914-K918 PolarHBondContact O-N 2.98Å; L915-K918 CarbonylContact O-C 3.49Å; L915-K918 PolarHBondContact O-N 2.81Å; K918-E921 CarbonylContact O-C 3.58Å; K918-E921 PolarHBondContact O-N 3.07Å; K918-I922 VanDerWaalsContact O-CB 3.24Å; K918-I922 WeakPolarHBondContact O-CB 3.48Å; K918-I922 WeakPolarHBondContact O-CD1 3.42Å; K918-I922 WeakPolarHBondContact O-CG1 3.25Å; K918-I922 PolarHBondContact O-N 3.12Å |
| 919 | D | 78.9 | Confident | 74.3 | Confident | 74 Ų | 74 | 101.4 Ų | 101.4 | 40% | 0.396 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.9 | -35 | 176.3 | -169.1 | 60.2 | 0 | 0 | 0 | 110.8 | L915 E917 K923 | L915-D919 WeakPolarHBondContact O-CB 3.45Å; L915-D919 PolarHBondContact O-N 2.94Å; E917-D919 VanDerWaalsContact C-N 3.35Å; E917-D919 PolarHBondContact O-N 2.65Å; D919-K923 VanDerWaalsContact O-CD 3.3Å; D919-K923 WeakPolarHBondContact O-CD 3.42Å; D919-K923 VanDerWaalsContact O-CG 3.3Å; D919-K923 WeakPolarHBondContact O-CG 3.26Å; D919-K923 PolarHBondContact O-N 3.35Å; D919-K923 IonicContact OD1-NZ 3.2Å; D919-K923 IonicContact OD2-NZ 2.65Å; D919-K923 PolarHBondContact OD2-NZ 2.83Å |
| 920 | N | 79.3 | Confident | 75.8 | Confident | 88 Ų | 88 | 100 Ų | 100 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.3 | -36 | 168.7 | -71.8 | -43.3 | 0 | 0 | 0 | 112.6 | K916 E917 K923 R924 | K916-N920 PolarHBondContact O-N 3.29Å; K916-N920 VanDerWaalsContact O-N 3.17Å; K916-N920 PolarHBondContact O-ND2 3.45Å; E917-N920 PolarHBondContact O-N 2.96Å; N920-K923 PolarHBondContact O-N 2.87Å; N920-R924 WeakPolarHBondContact O-CG 3.45Å; N920-R924 PolarHBondContact O-N 3.48Å |
| 921 | E | 80.4 | Confident | 77.1 | Confident | 65 Ų | 65 | 98.6 Ų | 98.6 | 30% | 0.304 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.3 | -37.5 | 172.8 | -161.9 | 68.6 | -95.1 | 0 | 0 | 111.7 | E917 K918 R924 I925 | E917-E921 WeakPolarHBondContact O-CB 3.32Å; E917-E921 PolarHBondContact O-N 2.92Å; K918-E921 CarbonylContact O-C 3.58Å; K918-E921 PolarHBondContact O-N 3.07Å; E921-R924 CarbonylContact O-C 3.57Å; E921-R924 WeakPolarHBondContact O-CB 3.41Å; E921-R924 PolarHBondContact O-N 2.63Å; E921-R924 IonicContact OE1-CZ 3.87Å; E921-R924 IonicContact OE1-NE 2.67Å; E921-R924 PolarHBondContact OE1-NE 3.05Å; E921-R924 IonicContact OE1-NH2 3.15Å; E921-R924 PolarHBondContact OE1-NH2 3.33Å; E921-R924 IonicContact OE2-CZ 3.56Å; E921-R924 IonicContact OE2-NE 2.66Å; E921-R924 IonicContact OE2-NH2 3.53Å; E921-R924 PolarHBondContact OE2-NH2 3.5Å; E921-I925 HydrophobicContact CG-CD1 4.09Å; E921-I925 WeakPolarHBondContact O-CB 3.37Å; E921-I925 VanDerWaalsContact O-CG1 3.23Å; E921-I925 WeakPolarHBondContact O-CG1 3.22Å; E921-I925 PolarHBondContact O-N 3.01Å |
| 922 | I | 78.1 | Confident | 78.1 | Confident | 84 Ų | 84 | 98.5 Ų | 98.5 | 43% | 0.431 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60 | -47.1 | 171.7 | -77 | 161.4 | 0 | 0 | 0 | 108.7 | K918 R924 I925 E926 | K918-I922 VanDerWaalsContact O-CB 3.24Å; K918-I922 WeakPolarHBondContact O-CB 3.48Å; K918-I922 WeakPolarHBondContact O-CD1 3.42Å; K918-I922 WeakPolarHBondContact O-CG1 3.25Å; K918-I922 PolarHBondContact O-N 3.12Å; I922-R924 VanDerWaalsContact C-N 3.34Å; I922-R924 PolarHBondContact O-N 2.71Å; I922-I925 CarbonylContact O-C 3.57Å; I922-I925 WeakPolarHBondContact O-CA 3.48Å; I922-I925 WeakPolarHBondContact O-CB 3.44Å; I922-I925 PolarHBondContact O-N 3.23Å; I922-E926 HydrophobicContact CG2-CG 4.17Å; I922-E926 WeakPolarHBondContact O-CB 3.37Å; I922-E926 WeakPolarHBondContact O-CG 3.49Å; I922-E926 PolarHBondContact O-N 2.95Å |
| 923 | K | 84.2 | Confident | 78.8 | Confident | 96 Ų | 96 | 100 Ų | 100 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -37.1 | 174.8 | -71.9 | 157 | -170.4 | 162.5 | 0 | 113.1 | D919 N920 I925 V927 | D919-K923 VanDerWaalsContact O-CD 3.3Å; D919-K923 WeakPolarHBondContact O-CD 3.42Å; D919-K923 VanDerWaalsContact O-CG 3.3Å; D919-K923 WeakPolarHBondContact O-CG 3.26Å; D919-K923 PolarHBondContact O-N 3.35Å; D919-K923 IonicContact OD1-NZ 3.2Å; D919-K923 IonicContact OD2-NZ 2.65Å; D919-K923 PolarHBondContact OD2-NZ 2.83Å; N920-K923 PolarHBondContact O-N 2.87Å; K923-I925 VanDerWaalsContact C-N 3.33Å; K923-V927 WeakPolarHBondContact O-CG2 3.48Å; K923-V927 PolarHBondContact O-N 2.86Å; K923-V927 VanDerWaalsContact O-N 3.07Å |
| 924 | R | 82.2 | Confident | 79.6 | Confident | 124 Ų | 124 | 98.6 Ų | 98.6 | 47% | 0.468 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.7 | -35.6 | 171.3 | -74.3 | -166.7 | -68.6 | -112 | 7.9 | 112.4 | N920 E921 I922 K928 | N920-R924 WeakPolarHBondContact O-CG 3.45Å; N920-R924 PolarHBondContact O-N 3.48Å; E921-R924 CarbonylContact O-C 3.57Å; E921-R924 WeakPolarHBondContact O-CB 3.41Å; E921-R924 PolarHBondContact O-N 2.63Å; E921-R924 IonicContact OE1-CZ 3.87Å; E921-R924 IonicContact OE1-NE 2.67Å; E921-R924 PolarHBondContact OE1-NE 3.05Å; E921-R924 IonicContact OE1-NH2 3.15Å; E921-R924 PolarHBondContact OE1-NH2 3.33Å; E921-R924 IonicContact OE2-CZ 3.56Å; E921-R924 IonicContact OE2-NE 2.66Å; E921-R924 IonicContact OE2-NH2 3.53Å; E921-R924 PolarHBondContact OE2-NH2 3.5Å; I922-R924 VanDerWaalsContact C-N 3.34Å; I922-R924 PolarHBondContact O-N 2.71Å; R924-K928 VanDerWaalsContact O-CG 3.3Å; R924-K928 WeakPolarHBondContact O-CG 3.46Å; R924-K928 PolarHBondContact O-N 3.43Å |
| 925 | I | 81.7 | Confident | 80.2 | Confident | 91 Ų | 91 | 100.3 Ų | 100.3 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.8 | -42 | 176.1 | -71.2 | 164.8 | 0 | 0 | 0 | 110.3 | E921 I922 K923 K928 L929 | E921-I925 HydrophobicContact CG-CD1 4.09Å; E921-I925 WeakPolarHBondContact O-CB 3.37Å; E921-I925 VanDerWaalsContact O-CG1 3.23Å; E921-I925 WeakPolarHBondContact O-CG1 3.22Å; E921-I925 PolarHBondContact O-N 3.01Å; I922-I925 CarbonylContact O-C 3.57Å; I922-I925 WeakPolarHBondContact O-CA 3.48Å; I922-I925 WeakPolarHBondContact O-CB 3.44Å; I922-I925 PolarHBondContact O-N 3.23Å; K923-I925 VanDerWaalsContact C-N 3.33Å; I925-K928 CarbonylContact O-C 3.3Å; I925-K928 PolarHBondContact O-N 2.93Å; I925-L929 WeakPolarHBondContact O-CA 3.47Å; I925-L929 WeakPolarHBondContact O-CB 3.3Å; I925-L929 PolarHBondContact O-N 3.36Å |
| 926 | E | 80.8 | Confident | 80.4 | Confident | 114 Ų | 114 | 100.1 Ų | 100.1 | 53% | 0.533 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 177.1 | -76.1 | 178.9 | 136.8 | 0 | 0 | 111.7 | I922 L929 K930 | I922-E926 HydrophobicContact CG2-CG 4.17Å; I922-E926 WeakPolarHBondContact O-CB 3.37Å; I922-E926 WeakPolarHBondContact O-CG 3.49Å; I922-E926 PolarHBondContact O-N 2.95Å; E926-L929 PolarHBondContact O-N 2.98Å; E926-K930 VanDerWaalsContact O-CB 3.22Å; E926-K930 WeakPolarHBondContact O-CB 3.38Å; E926-K930 PolarHBondContact O-N 3.39Å |
| 927 | V | 84.3 | Confident | 80.7 | Confident | 87 Ų | 87 | 97.6 Ų | 97.6 | 53% | 0.527 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -50.2 | 174.1 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | K923 L929 K930 D931 | K923-V927 WeakPolarHBondContact O-CG2 3.48Å; K923-V927 PolarHBondContact O-N 2.86Å; K923-V927 VanDerWaalsContact O-N 3.07Å; V927-L929 VanDerWaalsContact C-N 3.32Å; V927-L929 PolarHBondContact O-N 3.37Å; V927-K930 PolarHBondContact O-N 2.86Å; V927-D931 VanDerWaalsContact O-CG 3.23Å; V927-D931 PolarHBondContact O-N 2.93Å |
| 928 | K | 82.4 | Confident | 81.2 | Confident | 136 Ų | 136 | 96.9 Ų | 96.9 | 59% | 0.591 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.9 | -38.5 | 175.9 | -74.3 | 174.1 | 179.3 | 177.5 | 0 | 113 | R924 I925 K930 D931 T932 | R924-K928 VanDerWaalsContact O-CG 3.3Å; R924-K928 WeakPolarHBondContact O-CG 3.46Å; R924-K928 PolarHBondContact O-N 3.43Å; I925-K928 CarbonylContact O-C 3.3Å; I925-K928 PolarHBondContact O-N 2.93Å; K928-K930 VanDerWaalsContact C-N 3.34Å; K928-D931 PolarHBondContact O-N 2.87Å; K928-T932 WeakPolarHBondContact O-CG2 3.2Å; K928-T932 PolarHBondContact O-N 3.36Å; K928-T932 PolarHBondContact O-OG1 3.03Å; K928-T932 VanDerWaalsContact O-OG1 3.07Å |
| 929 | L | 79.6 | Confident | 81.2 | Confident | 108 Ų | 108 | 97.6 Ų | 97.6 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65 | -44.5 | 179.6 | -160.5 | 95.8 | 0 | 0 | 0 | 109 | I925 E926 V927 T932 E933 | I925-L929 WeakPolarHBondContact O-CA 3.47Å; I925-L929 WeakPolarHBondContact O-CB 3.3Å; I925-L929 PolarHBondContact O-N 3.36Å; E926-L929 PolarHBondContact O-N 2.98Å; V927-L929 VanDerWaalsContact C-N 3.32Å; V927-L929 PolarHBondContact O-N 3.37Å; L929-T932 WeakPolarHBondContact CA-OG1 3.5Å; L929-T932 CarbonylContact O-C 3.55Å; L929-T932 PolarHBondContact O-N 2.94Å; L929-T932 PolarHBondContact O-OG1 3.4Å; L929-E933 VanDerWaalsContact O-CB 3.23Å; L929-E933 WeakPolarHBondContact O-CB 3.45Å; L929-E933 PolarHBondContact O-N 2.96Å |
| 930 | K | 83.6 | Confident | 81.3 | Confident | 147 Ų | 147 | 97 Ų | 97 | 64% | 0.639 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.9 | -37.4 | 176.3 | -171.5 | 172.8 | -175.1 | 173.4 | 0 | 112.9 | E926 V927 K928 E933 S934 | E926-K930 VanDerWaalsContact O-CB 3.22Å; E926-K930 WeakPolarHBondContact O-CB 3.38Å; E926-K930 PolarHBondContact O-N 3.39Å; V927-K930 PolarHBondContact O-N 2.86Å; K928-K930 VanDerWaalsContact C-N 3.34Å; K930-E933 PolarHBondContact O-N 3.08Å; K930-S934 WeakPolarHBondContact O-CB 3.44Å; K930-S934 PolarHBondContact O-N 3.34Å |
| 931 | D | 81.8 | Confident | 81.5 | Confident | 87 Ų | 87 | 98.7 Ų | 98.7 | 47% | 0.465 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -48.8 | 171.5 | -67.3 | -27.4 | 0 | 0 | 0 | 109.9 | V927 K928 E933 S934 D935 | V927-D931 VanDerWaalsContact O-CG 3.23Å; V927-D931 PolarHBondContact O-N 2.93Å; K928-D931 PolarHBondContact O-N 2.87Å; D931-E933 VanDerWaalsContact C-N 3.33Å; D931-E933 PolarHBondContact O-N 2.91Å; D931-S934 WeakPolarHBondContact O-CB 3.32Å; D931-S934 PolarHBondContact O-N 2.97Å; D931-S934 PolarHBondContact O-OG 2.61Å; D931-D935 PolarHBondContact O-N 3.08Å |
| 932 | T | 77.5 | Confident | 81.7 | Confident | 76 Ų | 76 | 100.3 Ų | 100.3 | 47% | 0.466 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.9 | -28.4 | 175.3 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | K928 L929 D935 V936 | K928-T932 WeakPolarHBondContact O-CG2 3.2Å; K928-T932 PolarHBondContact O-N 3.36Å; K928-T932 PolarHBondContact O-OG1 3.03Å; K928-T932 VanDerWaalsContact O-OG1 3.07Å; L929-T932 WeakPolarHBondContact CA-OG1 3.5Å; L929-T932 CarbonylContact O-C 3.55Å; L929-T932 PolarHBondContact O-N 2.94Å; L929-T932 PolarHBondContact O-OG1 3.4Å; T932-D935 PolarHBondContact O-N 3.44Å; T932-V936 VanDerWaalsContact O-CB 3.23Å; T932-V936 WeakPolarHBondContact O-CB 3.17Å; T932-V936 WeakPolarHBondContact O-CG2 3.28Å; T932-V936 PolarHBondContact O-N 2.97Å |
| 933 | E | 79.6 | Confident | 81.8 | Confident | 131 Ų | 131 | 101.2 Ų | 101.2 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.6 | -39.4 | 173.6 | -176.8 | 176.2 | -139 | 0 | 0 | 109.8 | L929 K930 D931 D935 S937 | L929-E933 VanDerWaalsContact O-CB 3.23Å; L929-E933 WeakPolarHBondContact O-CB 3.45Å; L929-E933 PolarHBondContact O-N 2.96Å; K930-E933 PolarHBondContact O-N 3.08Å; D931-E933 VanDerWaalsContact C-N 3.33Å; D931-E933 PolarHBondContact O-N 2.91Å; E933-D935 VanDerWaalsContact C-N 3.34Å; E933-S937 VanDerWaalsContact O-CB 3.26Å; E933-S937 WeakPolarHBondContact O-CB 3.3Å; E933-S937 PolarHBondContact O-N 3.48Å |
| 934 | S | 81.3 | Confident | 81.7 | Confident | 45 Ų | 45 | 102.8 Ų | 102.8 | 32% | 0.315 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 169.7 | 100.2 | 0 | 0 | 0 | 0 | 111.4 | K930 D931 S937 K938 | K930-S934 WeakPolarHBondContact O-CB 3.44Å; K930-S934 PolarHBondContact O-N 3.34Å; D931-S934 WeakPolarHBondContact O-CB 3.32Å; D931-S934 PolarHBondContact O-N 2.97Å; D931-S934 PolarHBondContact O-OG 2.61Å; S934-S937 PolarHBondContact O-N 2.7Å; S934-K938 WeakPolarHBondContact O-CE 3.47Å; S934-K938 VanDerWaalsContact O-CG 3.25Å; S934-K938 WeakPolarHBondContact O-CG 3.27Å; S934-K938 PolarHBondContact O-N 2.84Å; S934-K938 WeakPolarHBondContact OG-CE 3.21Å; S934-K938 PolarHBondContact OG-NZ 2.98Å |
| 935 | D | 83.6 | Confident | 81.6 | Confident | 87 Ų | 87 | 103 Ų | 103 | 47% | 0.465 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -76.2 | -33.4 | -178.3 | -72 | -14.7 | 0 | 0 | 0 | 112.4 | D931 T932 E933 K938 M939 | D931-D935 PolarHBondContact O-N 3.08Å; T932-D935 PolarHBondContact O-N 3.44Å; E933-D935 VanDerWaalsContact C-N 3.34Å; D935-K938 PolarHBondContact O-N 3.3Å; D935-K938 IonicContact OD1-NZ 2.79Å; D935-K938 PolarHBondContact OD1-NZ 3.35Å; D935-M939 WeakPolarHBondContact O-CB 3.4Å; D935-M939 PolarHBondContact O-N 3.37Å |
| 936 | V | 77.3 | Confident | 81.5 | Confident | 100 Ų | 100 | 101.9 Ų | 101.9 | 61% | 0.606 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.1 | -35.8 | 168.8 | 166 | 0 | 0 | 0 | 0 | 110.8 | T932 M939 S940 | T932-V936 VanDerWaalsContact O-CB 3.23Å; T932-V936 WeakPolarHBondContact O-CB 3.17Å; T932-V936 WeakPolarHBondContact O-CG2 3.28Å; T932-V936 PolarHBondContact O-N 2.97Å; V936-M939 PolarHBondContact O-N 3.42Å; V936-S940 VanDerWaalsContact O-CB 3.32Å; V936-S940 WeakPolarHBondContact O-CB 3.42Å; V936-S940 PolarHBondContact O-N 3.1Å |
| 937 | S | 82.9 | Confident | 81.3 | Confident | 71 Ų | 71 | 101.9 Ų | 101.9 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -47.7 | 172.8 | -166.3 | 0 | 0 | 0 | 0 | 111 | E933 S934 M939 S940 E941 | E933-S937 VanDerWaalsContact O-CB 3.26Å; E933-S937 WeakPolarHBondContact O-CB 3.3Å; E933-S937 PolarHBondContact O-N 3.48Å; S934-S937 PolarHBondContact O-N 2.7Å; S937-M939 VanDerWaalsContact C-N 3.33Å; S937-M939 PolarHBondContact O-N 2.62Å; S937-S940 CarbonylContact O-C 3.58Å; S937-S940 PolarHBondContact O-N 3.49Å; S937-S940 VanDerWaalsContact O-N 3.17Å; S937-E941 WeakPolarHBondContact O-CB 3.47Å; S937-E941 PolarHBondContact O-N 3.41Å |
| 938 | K | 86.6 | Confident | 81.2 | Confident | 105 Ų | 105 | 102.5 Ų | 102.5 | 46% | 0.457 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59 | -42.7 | 172.8 | -67.3 | 163 | -147.7 | 159.6 | 0 | 111.7 | S934 D935 S940 E941 L942 | S934-K938 WeakPolarHBondContact O-CE 3.47Å; S934-K938 VanDerWaalsContact O-CG 3.25Å; S934-K938 WeakPolarHBondContact O-CG 3.27Å; S934-K938 PolarHBondContact O-N 2.84Å; S934-K938 WeakPolarHBondContact OG-CE 3.21Å; S934-K938 PolarHBondContact OG-NZ 2.98Å; D935-K938 PolarHBondContact O-N 3.3Å; D935-K938 IonicContact OD1-NZ 2.79Å; D935-K938 PolarHBondContact OD1-NZ 3.35Å; K938-S940 VanDerWaalsContact C-N 3.33Å; K938-S940 PolarHBondContact O-N 2.85Å; K938-E941 PolarHBondContact O-N 2.85Å; K938-E941 VanDerWaalsContact O-N 3.17Å; K938-L942 WeakPolarHBondContact O-CB 3.45Å; K938-L942 PolarHBondContact O-N 2.93Å |
| 939 | M | 79.4 | Confident | 81 | Confident | 134 Ų | 134 | 101.6 Ų | 101.6 | 66% | 0.66 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64 | -37.8 | 176.4 | -167.4 | 74.2 | 70 | 0 | 0 | 111.5 | D935 V936 S937 E941 L943 | D935-M939 WeakPolarHBondContact O-CB 3.4Å; D935-M939 PolarHBondContact O-N 3.37Å; V936-M939 PolarHBondContact O-N 3.42Å; S937-M939 VanDerWaalsContact C-N 3.33Å; S937-M939 PolarHBondContact O-N 2.62Å; M939-E941 VanDerWaalsContact C-N 3.32Å; M939-L943 WeakPolarHBondContact O-CB 3.36Å; M939-L943 PolarHBondContact O-N 3.46Å |
| 940 | S | 79.8 | Confident | 80.6 | Confident | 62 Ų | 62 | 101 Ų | 101 | 43% | 0.434 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.6 | -24 | 174.3 | -177 | 0 | 0 | 0 | 0 | 113.1 | V936 S937 K938 K944 | V936-S940 VanDerWaalsContact O-CB 3.32Å; V936-S940 WeakPolarHBondContact O-CB 3.42Å; V936-S940 PolarHBondContact O-N 3.1Å; S937-S940 CarbonylContact O-C 3.58Å; S937-S940 PolarHBondContact O-N 3.49Å; S937-S940 VanDerWaalsContact O-N 3.17Å; K938-S940 VanDerWaalsContact C-N 3.33Å; K938-S940 PolarHBondContact O-N 2.85Å; S940-K944 PolarHBondContact O-N 3.4Å; S940-K944 VanDerWaalsContact O-N 3.1Å |
| 941 | E | 84 | Confident | 80.5 | Confident | 123 Ų | 123 | 99.2 Ų | 99.2 | 58% | 0.575 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -80.3 | -45.8 | 176.4 | -159 | 147.7 | -122 | 0 | 0 | 110.1 | S937 K938 M939 L943 K944 E945 | S937-E941 WeakPolarHBondContact O-CB 3.47Å; S937-E941 PolarHBondContact O-N 3.41Å; K938-E941 PolarHBondContact O-N 2.85Å; K938-E941 VanDerWaalsContact O-N 3.17Å; M939-E941 VanDerWaalsContact C-N 3.32Å; E941-L943 VanDerWaalsContact C-N 3.32Å; E941-L943 PolarHBondContact O-N 3.44Å; E941-K944 CarbonylContact O-C 3.53Å; E941-K944 WeakPolarHBondContact O-CA 3.27Å; E941-K944 VanDerWaalsContact O-CB 3.31Å; E941-K944 WeakPolarHBondContact O-CB 3.48Å; E941-K944 PolarHBondContact O-N 2.97Å; E941-K944 VanDerWaalsContact O-N 3.08Å; E941-E945 PolarHBondContact O-N 2.6Å |
| 942 | L | 84.7 | Confident | 80.3 | Confident | 98 Ų | 98 | 101.5 Ų | 101.5 | 51% | 0.513 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.2 | -40.5 | 165.4 | -86.6 | 160.6 | 0 | 0 | 0 | 112.5 | K938 K944 E945 V946 | K938-L942 WeakPolarHBondContact O-CB 3.45Å; K938-L942 PolarHBondContact O-N 2.93Å; L942-K944 VanDerWaalsContact C-N 3.29Å; L942-K944 PolarHBondContact O-N 3.17Å; L942-E945 PolarHBondContact O-N 3.41Å; L942-V946 WeakPolarHBondContact O-CB 3.36Å; L942-V946 VanDerWaalsContact O-CG2 3.31Å; L942-V946 WeakPolarHBondContact O-CG2 3.36Å; L942-V946 PolarHBondContact O-N 3.47Å |
| 943 | L | 80.1 | Confident | 80.3 | Confident | 103 Ų | 103 | 101.5 Ų | 101.5 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.5 | -32.9 | 175.8 | -169.3 | 71.6 | 0 | 0 | 0 | 111.6 | M939 E941 Q947 | M939-L943 WeakPolarHBondContact O-CB 3.36Å; M939-L943 PolarHBondContact O-N 3.46Å; E941-L943 VanDerWaalsContact C-N 3.32Å; E941-L943 PolarHBondContact O-N 3.44Å; L943-Q947 VanDerWaalsContact O-CB 3.29Å; L943-Q947 WeakPolarHBondContact O-CB 3.47Å; L943-Q947 VanDerWaalsContact O-CG 3.27Å; L943-Q947 WeakPolarHBondContact O-CG 3.37Å; L943-Q947 PolarHBondContact O-N 3.45Å |
| 944 | K | 82.3 | Confident | 80.2 | Confident | 129 Ų | 129 | 102.9 Ų | 102.9 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.6 | -46.4 | 170.7 | -89.5 | 178.6 | 176.6 | 174.1 | 0 | 111.6 | S940 E941 L942 V946 Q947 E948 | S940-K944 PolarHBondContact O-N 3.4Å; S940-K944 VanDerWaalsContact O-N 3.1Å; E941-K944 CarbonylContact O-C 3.53Å; E941-K944 WeakPolarHBondContact O-CA 3.27Å; E941-K944 VanDerWaalsContact O-CB 3.31Å; E941-K944 WeakPolarHBondContact O-CB 3.48Å; E941-K944 PolarHBondContact O-N 2.97Å; E941-K944 VanDerWaalsContact O-N 3.08Å; L942-K944 VanDerWaalsContact C-N 3.29Å; L942-K944 PolarHBondContact O-N 3.17Å; K944-V946 PolarHBondContact O-N 3.41Å; K944-Q947 CarbonylContact O-C 3.52Å; K944-Q947 PolarHBondContact O-N 3.06Å; K944-Q947 VanDerWaalsContact O-N 3.09Å; K944-E948 WeakPolarHBondContact O-CG 3.47Å; K944-E948 PolarHBondContact O-N 3.16Å |
| 945 | E | 81.3 | Confident | 79.8 | Confident | 128 Ų | 128 | 104.7 Ų | 104.7 | 60% | 0.598 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58 | -48.9 | 175.3 | -72.1 | -173.1 | 135.5 | 0 | 0 | 110.5 | E941 L942 Q947 E948 E949 | E941-E945 PolarHBondContact O-N 2.6Å; L942-E945 PolarHBondContact O-N 3.41Å; E945-Q947 VanDerWaalsContact C-N 3.27Å; E945-Q947 PolarHBondContact O-N 2.91Å; E945-E948 PolarHBondContact O-N 3.09Å; E945-E949 WeakPolarHBondContact O-CB 3.13Å; E945-E949 PolarHBondContact O-N 3.28Å |
| 946 | V | 79.5 | Confident | 79.3 | Confident | 69 Ų | 69 | 105.5 Ų | 105.5 | 42% | 0.418 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -29.7 | 175 | 172.7 | 0 | 0 | 0 | 0 | 112.3 | L942 K944 N950 | L942-V946 WeakPolarHBondContact O-CB 3.36Å; L942-V946 VanDerWaalsContact O-CG2 3.31Å; L942-V946 WeakPolarHBondContact O-CG2 3.36Å; L942-V946 PolarHBondContact O-N 3.47Å; K944-V946 PolarHBondContact O-N 3.41Å; V946-N950 WeakPolarHBondContact O-CB 3.34Å; V946-N950 PolarHBondContact O-N 2.96Å; V946-N950 PolarHBondContact O-ND2 3.25Å |
| 947 | Q | 74.9 | Confident | 78.6 | Confident | 113 Ų | 113 | 105.9 Ų | 105.9 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -75 | -40.6 | 173 | -84.5 | -173.9 | -18.3 | 0 | 0 | 113.5 | L943 K944 E945 N950 K951 | L943-Q947 VanDerWaalsContact O-CB 3.29Å; L943-Q947 WeakPolarHBondContact O-CB 3.47Å; L943-Q947 VanDerWaalsContact O-CG 3.27Å; L943-Q947 WeakPolarHBondContact O-CG 3.37Å; L943-Q947 PolarHBondContact O-N 3.45Å; K944-Q947 CarbonylContact O-C 3.52Å; K944-Q947 PolarHBondContact O-N 3.06Å; K944-Q947 VanDerWaalsContact O-N 3.09Å; E945-Q947 VanDerWaalsContact C-N 3.27Å; E945-Q947 PolarHBondContact O-N 2.91Å; Q947-N950 PolarHBondContact O-N 3.47Å; Q947-K951 WeakPolarHBondContact O-CB 3.23Å; Q947-K951 WeakPolarHBondContact O-CG 3.27Å; Q947-K951 PolarHBondContact O-N 2.98Å |
| 948 | E | 82.6 | Confident | 77.5 | Confident | 100 Ų | 100 | 105.8 Ų | 105.8 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -73.2 | -31.3 | 174.7 | -61 | -50.6 | 136 | 0 | 0 | 111.4 | K944 E945 K951 F952 | K944-E948 WeakPolarHBondContact O-CG 3.47Å; K944-E948 PolarHBondContact O-N 3.16Å; E945-E948 PolarHBondContact O-N 3.09Å; E948-K951 CarbonylContact O-C 3.58Å; E948-K951 WeakPolarHBondContact O-CB 3.31Å; E948-K951 PolarHBondContact O-N 3.24Å; E948-K951 IonicContact OE1-NZ 3.35Å; E948-K951 PolarHBondContact OE1-NZ 3.2Å; E948-K951 WeakPolarHBondContact OE2-CD 3.41Å; E948-K951 IonicContact OE2-NZ 3.37Å; E948-K951 PolarHBondContact OE2-NZ 3.1Å; E948-F952 VanDerWaalsContact O-CB 3.31Å; E948-F952 WeakPolarHBondContact O-CB 3.27Å; E948-F952 PolarHBondContact O-N 3.45Å |
| 949 | E | 79.4 | Confident | 76 | Confident | 117 Ų | 117 | 106.3 Ų | 106.3 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.4 | -40.7 | 170.4 | -170.2 | 176.2 | -124.7 | 0 | 0 | 110.9 | E945 K951 F952 L953 | E945-E949 WeakPolarHBondContact O-CB 3.13Å; E945-E949 PolarHBondContact O-N 3.28Å; E949-K951 VanDerWaalsContact C-N 3.34Å; E949-K951 PolarHBondContact O-N 2.99Å; E949-F952 PolarHBondContact O-N 2.97Å; E949-F952 VanDerWaalsContact O-N 3.17Å; E949-L953 HydrophobicContact CG-CD1 4.24Å; E949-L953 WeakPolarHBondContact O-CB 3.43Å; E949-L953 VanDerWaalsContact O-CG 3.3Å; E949-L953 WeakPolarHBondContact O-CG 3.46Å; E949-L953 PolarHBondContact O-N 3.06Å |
| 950 | N | 69.6 | Low | 74.8 | Confident | 95 Ų | 95 | 105.2 Ų | 105.2 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 169.4 | -93.1 | -94.1 | 0 | 0 | 0 | 112.1 | V946 Q947 K954 | V946-N950 WeakPolarHBondContact O-CB 3.34Å; V946-N950 PolarHBondContact O-N 2.96Å; V946-N950 PolarHBondContact O-ND2 3.25Å; Q947-N950 PolarHBondContact O-N 3.47Å; N950-K954 WeakPolarHBondContact O-CB 3.18Å; N950-K954 PolarHBondContact O-N 2.98Å |
| 951 | K | 82.9 | Confident | 73.5 | Confident | 111 Ų | 111 | 109.7 Ų | 109.7 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 170.2 | -80.4 | 162.8 | 161.1 | -179.3 | 0 | 111.2 | Q947 E948 E949 K954 C955 | Q947-K951 WeakPolarHBondContact O-CB 3.23Å; Q947-K951 WeakPolarHBondContact O-CG 3.27Å; Q947-K951 PolarHBondContact O-N 2.98Å; E948-K951 CarbonylContact O-C 3.58Å; E948-K951 WeakPolarHBondContact O-CB 3.31Å; E948-K951 PolarHBondContact O-N 3.24Å; E948-K951 IonicContact OE1-NZ 3.35Å; E948-K951 PolarHBondContact OE1-NZ 3.2Å; E948-K951 WeakPolarHBondContact OE2-CD 3.41Å; E948-K951 IonicContact OE2-NZ 3.37Å; E948-K951 PolarHBondContact OE2-NZ 3.1Å; E949-K951 VanDerWaalsContact C-N 3.34Å; E949-K951 PolarHBondContact O-N 2.99Å; K951-K954 CarbonylContact O-C 3.59Å; K951-K954 PolarHBondContact O-N 3.14Å; K951-C955 VanDerWaalsContact O-CB 3.31Å; K951-C955 WeakPolarHBondContact O-CB 3.5Å; K951-C955 PolarHBondContact O-N 3.44Å; K951-C955 PolarHBondContact O-SG 3.03Å |
| 952 | F | 77.9 | Confident | 71.8 | Confident | 134 Ų | 134 | 110.6 Ų | 110.6 | 59% | 0.588 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.1 | -50.2 | 178.6 | -179 | -98.7 | 0 | 0 | 0 | 110.8 | E948 E949 K954 C955 Q956 | E948-F952 VanDerWaalsContact O-CB 3.31Å; E948-F952 WeakPolarHBondContact O-CB 3.27Å; E948-F952 PolarHBondContact O-N 3.45Å; E949-F952 PolarHBondContact O-N 2.97Å; E949-F952 VanDerWaalsContact O-N 3.17Å; F952-K954 VanDerWaalsContact C-N 3.31Å; F952-K954 PolarHBondContact O-N 3.35Å; F952-C955 CarbonylContact O-C 3.53Å; F952-C955 WeakPolarHBondContact O-CB 3.49Å; F952-C955 PolarHBondContact O-N 3.29Å; F952-Q956 VanDerWaalsContact O-CB 3.28Å; F952-Q956 WeakPolarHBondContact O-CB 3.39Å; F952-Q956 PolarHBondContact O-N 2.82Å |
| 953 | L | 77.4 | Confident | 70 | Confident | 77 Ų | 77 | 111.7 Ų | 111.7 | 40% | 0.403 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.9 | -37.8 | 173.2 | -70 | 168.2 | 0 | 0 | 0 | 112.1 | E949 Q956 L957 | E949-L953 HydrophobicContact CG-CD1 4.24Å; E949-L953 WeakPolarHBondContact O-CB 3.43Å; E949-L953 VanDerWaalsContact O-CG 3.3Å; E949-L953 WeakPolarHBondContact O-CG 3.46Å; E949-L953 PolarHBondContact O-N 3.06Å; L953-Q956 PolarHBondContact O-N 3.05Å; L953-L957 WeakPolarHBondContact O-CB 3.44Å; L953-L957 WeakPolarHBondContact O-CG 3.42Å; L953-L957 PolarHBondContact O-N 3.23Å |
| 954 | K | 77.4 | Confident | 68.4 | Low | 159 Ų | 159 | 113.4 Ų | 113.4 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.5 | -34.9 | 175.8 | -170.6 | 171.3 | -173.6 | 173.6 | 0 | 112.7 | N950 K951 F952 S958 | N950-K954 WeakPolarHBondContact O-CB 3.18Å; N950-K954 PolarHBondContact O-N 2.98Å; K951-K954 CarbonylContact O-C 3.59Å; K951-K954 PolarHBondContact O-N 3.14Å; F952-K954 VanDerWaalsContact C-N 3.31Å; F952-K954 PolarHBondContact O-N 3.35Å; K954-S958 VanDerWaalsContact O-CB 3.31Å; K954-S958 WeakPolarHBondContact O-CB 3.49Å; K954-S958 PolarHBondContact O-N 2.8Å |
| 955 | C | 73 | Confident | 66.6 | Low | 83 Ų | 83 | 110.9 Ų | 110.9 | 56% | 0.561 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.9 | -37.1 | 170.1 | -73.4 | 0 | 0 | 0 | 0 | 111.3 | K951 F952 S958 H959 | K951-C955 VanDerWaalsContact O-CB 3.31Å; K951-C955 WeakPolarHBondContact O-CB 3.5Å; K951-C955 PolarHBondContact O-N 3.44Å; K951-C955 PolarHBondContact O-SG 3.03Å; F952-C955 CarbonylContact O-C 3.53Å; F952-C955 WeakPolarHBondContact O-CB 3.49Å; F952-C955 PolarHBondContact O-N 3.29Å; C955-S958 CarbonylContact O-C 3.55Å; C955-S958 WeakPolarHBondContact O-CB 3.45Å; C955-S958 PolarHBondContact O-N 3.43Å; C955-H959 VanDerWaalsContact O-CB 3.27Å; C955-H959 WeakPolarHBondContact O-CB 3.29Å; C955-H959 PolarHBondContact O-N 3.35Å |
| 956 | Q | 72.3 | Confident | 65 | Low | 104 Ų | 104 | 109.6 Ų | 109.6 | 49% | 0.486 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.6 | -43.7 | 175.9 | -168.2 | 177.8 | 57.6 | 0 | 0 | 110.9 | F952 L953 S958 H959 Q960 | F952-Q956 VanDerWaalsContact O-CB 3.28Å; F952-Q956 WeakPolarHBondContact O-CB 3.39Å; F952-Q956 PolarHBondContact O-N 2.82Å; L953-Q956 PolarHBondContact O-N 3.05Å; Q956-S958 VanDerWaalsContact C-N 3.34Å; Q956-S958 PolarHBondContact O-N 3.02Å; Q956-H959 CarbonylContact O-C 3.57Å; Q956-H959 PolarHBondContact O-N 3.45Å; Q956-Q960 VanDerWaalsContact O-CB 3.28Å; Q956-Q960 WeakPolarHBondContact O-CB 3.28Å; Q956-Q960 PolarHBondContact O-N 3.48Å |
| 957 | L | 62.4 | Low | 63.6 | Low | 109 Ų | 109 | 114.2 Ų | 114.2 | 57% | 0.571 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.7 | -38.4 | 169.5 | -78.1 | 165.4 | 0 | 0 | 0 | 112.4 | L953 K961 | L953-L957 WeakPolarHBondContact O-CB 3.44Å; L953-L957 WeakPolarHBondContact O-CG 3.42Å; L953-L957 PolarHBondContact O-N 3.23Å; L957-K961 WeakPolarHBondContact O-CB 3.39Å; L957-K961 PolarHBondContact O-N 2.78Å |
| 958 | S | 59.3 | Low | 62.2 | Low | 68 Ų | 68 | 112.8 Ų | 112.8 | 48% | 0.476 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.5 | -37.8 | 174.4 | -166.3 | 0 | 0 | 0 | 0 | 112.1 | K954 C955 Q956 K961 H962 | K954-S958 VanDerWaalsContact O-CB 3.31Å; K954-S958 WeakPolarHBondContact O-CB 3.49Å; K954-S958 PolarHBondContact O-N 2.8Å; C955-S958 CarbonylContact O-C 3.55Å; C955-S958 WeakPolarHBondContact O-CB 3.45Å; C955-S958 PolarHBondContact O-N 3.43Å; Q956-S958 VanDerWaalsContact C-N 3.34Å; Q956-S958 PolarHBondContact O-N 3.02Å; S958-K961 PolarHBondContact O-N 3.01Å; S958-H962 PolarHBondContact O-N 3.24Å |
| 959 | H | 55.8 | Low | 60.9 | Low | 117 Ų | 117 | 110.5 Ų | 110.5 | 54% | 0.542 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -72.1 | -39 | 176.8 | -164.7 | 79 | 0 | 0 | 0 | 111.5 | C955 Q956 H962 Q963 | C955-H959 VanDerWaalsContact O-CB 3.27Å; C955-H959 WeakPolarHBondContact O-CB 3.29Å; C955-H959 PolarHBondContact O-N 3.35Å; Q956-H959 CarbonylContact O-C 3.57Å; Q956-H959 PolarHBondContact O-N 3.45Å; H959-H962 CarbonylContact O-C 3.54Å; H959-H962 PolarHBondContact O-N 3.43Å; H959-H962 VanDerWaalsContact O-N 3.13Å; H959-Q963 PolarHBondContact CD2-NE2 2.85Å; H959-Q963 PolarHBondContact NE2-NE2 2.96Å; H959-Q963 WeakPolarHBondContact O-CG 3.48Å; H959-Q963 PolarHBondContact O-N 2.98Å |
| 960 | Q | 53.8 | Low | 59.7 | Low | 110 Ų | 110 | 112.8 Ų | 112.8 | 51% | 0.514 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64 | -40 | 172.6 | -166.3 | 175.8 | 22.8 | 0 | 0 | 111 | Q956 Q963 Q964 | Q956-Q960 VanDerWaalsContact O-CB 3.28Å; Q956-Q960 WeakPolarHBondContact O-CB 3.28Å; Q956-Q960 PolarHBondContact O-N 3.48Å; Q960-Q963 PolarHBondContact O-N 2.86Å; Q960-Q964 PolarHBondContact O-N 2.78Å |
| 961 | K | 51.9 | Low | 59.1 | Low | 156 Ų | 156 | 115.6 Ų | 115.6 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.8 | -38 | 168.6 | -84.2 | -167.9 | 170.1 | -170 | 0 | 113.2 | L957 S958 Q964 A965 | L957-K961 WeakPolarHBondContact O-CB 3.39Å; L957-K961 PolarHBondContact O-N 2.78Å; S958-K961 PolarHBondContact O-N 3.01Å; K961-Q964 PolarHBondContact O-N 3.15Å; K961-A965 PolarHBondContact O-N 3.37Å |
| 962 | H | 49.3 | Very low | 58 | Low | 142 Ų | 142 | 115.5 Ų | 115.5 | 66% | 0.657 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.5 | -34.4 | 174.8 | -101.8 | 67.4 | 0 | 0 | 0 | 113.1 | S958 H959 A965 | S958-H962 PolarHBondContact O-N 3.24Å; H959-H962 CarbonylContact O-C 3.54Å; H959-H962 PolarHBondContact O-N 3.43Å; H959-H962 VanDerWaalsContact O-N 3.13Å; H962-A965 WeakPolarHBondContact O-CB 3.43Å; H962-A965 PolarHBondContact O-N 3.3Å |
| 963 | Q | 47.9 | Very low | 57.5 | Low | 121 Ų | 121 | 113.9 Ų | 113.9 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.3 | -35 | 173 | -70.6 | -174.8 | 5.1 | 0 | 0 | 111.7 | H959 Q960 A965 S966 | H959-Q963 PolarHBondContact CD2-NE2 2.85Å; H959-Q963 PolarHBondContact NE2-NE2 2.96Å; H959-Q963 WeakPolarHBondContact O-CG 3.48Å; H959-Q963 PolarHBondContact O-N 2.98Å; Q960-Q963 PolarHBondContact O-N 2.86Å; Q963-A965 VanDerWaalsContact C-N 3.26Å; Q963-A965 PolarHBondContact O-N 2.89Å; Q963-S966 WeakPolarHBondContact O-CB 3.33Å; Q963-S966 PolarHBondContact O-N 3.06Å |
| 964 | Q | 45.6 | Very low | 57.2 | Low | 139 Ų | 139 | 116.2 Ų | 116.2 | 65% | 0.65 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.6 | -23.3 | 169.3 | -76.3 | -176.1 | -33.3 | 0 | 0 | 113.3 | Q960 K961 S966 | Q960-Q964 PolarHBondContact O-N 2.78Å; K961-Q964 PolarHBondContact O-N 3.15Å; Q964-S966 PolarHBondContact O-N 3.07Å |
| 965 | A | 45.5 | Very low | 57 | Low | 76 Ų | 76 | 112.1 Ų | 112.1 | 63% | 0.628 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 10.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K961 H962 Q963 | K961-A965 PolarHBondContact O-N 3.37Å; H962-A965 WeakPolarHBondContact O-CB 3.43Å; H962-A965 PolarHBondContact O-N 3.3Å; Q963-A965 VanDerWaalsContact C-N 3.26Å; Q963-A965 PolarHBondContact O-N 2.89Å |
| 966 | S | 46.8 | Very low | 57.2 | Low | 102 Ų | 102 | 111.7 Ų | 111.7 | 71% | 0.713 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 3 | 173.3 | -171.1 | 0 | 0 | 0 | 0 | 114 | Q963 Q964 | Q963-S966 WeakPolarHBondContact O-CB 3.33Å; Q963-S966 PolarHBondContact O-N 3.06Å; Q964-S966 PolarHBondContact O-N 3.07Å |
| 967 | F | 50.5 | Low | 57.4 | Low | 166 Ų | 166 | 110.7 Ų | 110.7 | 73% | 0.728 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -87.8 | 155.6 | 167.2 | -76.9 | -87.8 | 0 | 0 | 0 | 110.1 | ||
| 968 | P | 45.2 | Very low | 58.2 | Low | 83 Ų | 83 | 108.8 Ų | 108.8 | 54% | 0.539 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -56.6 | 160.2 | 175.7 | 26 | -35.6 | 0 | 0 | 0 | 110.9 | E972 | P968-E972 HydrophobicContact CB-CB 4.44Š|
| 969 | S | 54.3 | Low | 59.5 | Low | 52 Ų | 52 | 111.8 Ų | 111.8 | 36% | 0.364 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 148 | -171 | 66.8 | 0 | 0 | 0 | 0 | 111.6 | E971 E972 L973 | S969-E971 PolarHBondContact O-N 3.41Å; S969-E971 VanDerWaalsContact O-N 3.08Å; S969-E972 VanDerWaalsContact CB-OE2 3.25Å; S969-E972 WeakPolarHBondContact CB-OE2 3.37Å; S969-E972 PolarHBondContact N-OE2 3.42Å; S969-E972 PolarHBondContact O-N 2.9Å; S969-E972 WeakPolarHBondContact OG-CB 3.24Å; S969-E972 VanDerWaalsContact OG-CD 3.29Å; S969-E972 VanDerWaalsContact OG-CG 3.22Å; S969-E972 WeakPolarHBondContact OG-CG 3.43Å; S969-E972 PolarHBondContact OG-N 3.48Å; S969-E972 VanDerWaalsContact OG-N 3.12Å; S969-E972 PolarHBondContact OG-OE2 2.95Å; S969-L973 PolarHBondContact O-N 3.11Å |
| 970 | Q | 54.8 | Low | 60.9 | Low | 164 Ų | 164 | 111.4 Ų | 111.4 | 77% | 0.766 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -55.9 | -28.8 | 176.3 | -175.5 | 175.7 | -13.9 | 0 | 0 | 111.4 | Q974 | Q970-Q974 WeakPolarHBondContact O-CB 3.48Å; Q970-Q974 PolarHBondContact O-N 3.48Å |
| 971 | E | 57.6 | Low | 62.4 | Low | 155 Ų | 155 | 111.8 Ų | 111.8 | 72% | 0.724 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.9 | -47.5 | 175.4 | -160.1 | 158.9 | -143 | 0 | 0 | 111.9 | S969 L973 Q974 T975 | S969-E971 PolarHBondContact O-N 3.41Å; S969-E971 VanDerWaalsContact O-N 3.08Å; E971-L973 PolarHBondContact O-N 3.5Å; E971-Q974 PolarHBondContact O-N 2.89Å; E971-T975 PolarHBondContact O-N 3.36Å; E971-T975 PolarHBondContact O-OG1 3.13Å |
| 972 | E | 59.9 | Low | 64.3 | Low | 108 Ų | 108 | 110.6 Ų | 110.6 | 51% | 0.505 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -60.2 | -45.2 | 174.3 | -75 | 161.5 | 120.3 | 0 | 0 | 112.3 | P968 S969 Q974 T975 V976 | P968-E972 HydrophobicContact CB-CB 4.44Å; S969-E972 VanDerWaalsContact CB-OE2 3.25Å; S969-E972 WeakPolarHBondContact CB-OE2 3.37Å; S969-E972 PolarHBondContact N-OE2 3.42Å; S969-E972 PolarHBondContact O-N 2.9Å; S969-E972 WeakPolarHBondContact OG-CB 3.24Å; S969-E972 VanDerWaalsContact OG-CD 3.29Å; S969-E972 VanDerWaalsContact OG-CG 3.22Å; S969-E972 WeakPolarHBondContact OG-CG 3.43Å; S969-E972 PolarHBondContact OG-N 3.48Å; S969-E972 VanDerWaalsContact OG-N 3.12Å; S969-E972 PolarHBondContact OG-OE2 2.95Å; E972-Q974 VanDerWaalsContact C-N 3.29Å; E972-Q974 PolarHBondContact O-N 3.28Å; E972-T975 WeakPolarHBondContact CA-OG1 3.38Å; E972-T975 PolarHBondContact O-N 3.05Å; E972-T975 PolarHBondContact O-OG1 2.93Å; E972-V976 WeakPolarHBondContact O-CG2 3.2Å; E972-V976 PolarHBondContact O-N 2.91Å |
| 973 | L | 66.8 | Low | 66.4 | Low | 100 Ų | 100 | 108.1 Ų | 108.1 | 52% | 0.524 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.5 | -38.2 | 177 | -174.9 | 64.2 | 0 | 0 | 0 | 111.2 | S969 E971 V976 I977 | S969-L973 PolarHBondContact O-N 3.11Å; E971-L973 PolarHBondContact O-N 3.5Å; L973-V976 PolarHBondContact O-N 2.67Å; L973-I977 HydrophobicContact CG-CD1 4.1Å; L973-I977 WeakPolarHBondContact O-CB 3.47Å; L973-I977 VanDerWaalsContact O-CG1 3.28Å; L973-I977 WeakPolarHBondContact O-CG1 3.2Å; L973-I977 PolarHBondContact O-N 2.9Å |
| 974 | Q | 71.3 | Confident | 68.3 | Low | 127 Ų | 127 | 107.4 Ų | 107.4 | 59% | 0.593 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -72.2 | -31.6 | 178.1 | -167.7 | 163.1 | 4.8 | 0 | 0 | 112.3 | Q970 E971 E972 S978 | Q970-Q974 WeakPolarHBondContact O-CB 3.48Å; Q970-Q974 PolarHBondContact O-N 3.48Å; E971-Q974 PolarHBondContact O-N 2.89Å; E972-Q974 VanDerWaalsContact C-N 3.29Å; E972-Q974 PolarHBondContact O-N 3.28Å; Q974-S978 WeakPolarHBondContact O-CB 3.45Å; Q974-S978 PolarHBondContact O-N 3.47Å |
| 975 | T | 74 | Confident | 70.4 | Confident | 73 Ų | 73 | 104.3 Ų | 104.3 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.5 | -43.8 | 168 | 48.9 | 0 | 0 | 0 | 0 | 112.2 | E971 E972 I977 S978 E979 | E971-T975 PolarHBondContact O-N 3.36Å; E971-T975 PolarHBondContact O-OG1 3.13Å; E972-T975 WeakPolarHBondContact CA-OG1 3.38Å; E972-T975 PolarHBondContact O-N 3.05Å; E972-T975 PolarHBondContact O-OG1 2.93Å; T975-I977 VanDerWaalsContact C-N 3.34Å; T975-I977 PolarHBondContact O-N 2.95Å; T975-S978 PolarHBondContact O-N 3.2Å; T975-S978 VanDerWaalsContact O-N 3.15Å; T975-E979 WeakPolarHBondContact O-CG 3.31Å; T975-E979 PolarHBondContact O-N 2.95Å |
| 976 | V | 75.8 | Confident | 72.5 | Confident | 73 Ų | 73 | 104.5 Ų | 104.5 | 44% | 0.442 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65 | -38 | 178 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | E972 L973 K980 | E972-V976 WeakPolarHBondContact O-CG2 3.2Å; E972-V976 PolarHBondContact O-N 2.91Å; L973-V976 PolarHBondContact O-N 2.67Å; V976-K980 HydrophobicContact CG1-CG 4.48Å; V976-K980 WeakPolarHBondContact O-CB 3.47Å; V976-K980 VanDerWaalsContact O-CG 3.23Å; V976-K980 WeakPolarHBondContact O-CG 3.36Å; V976-K980 PolarHBondContact O-N 2.82Å |
| 977 | I | 76.1 | Confident | 74.6 | Confident | 83 Ų | 83 | 103.8 Ų | 103.8 | 43% | 0.426 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 171.6 | -71.1 | 166 | 0 | 0 | 0 | 110.2 | L973 T975 E979 K980 E981 | L973-I977 HydrophobicContact CG-CD1 4.1Å; L973-I977 WeakPolarHBondContact O-CB 3.47Å; L973-I977 VanDerWaalsContact O-CG1 3.28Å; L973-I977 WeakPolarHBondContact O-CG1 3.2Å; L973-I977 PolarHBondContact O-N 2.9Å; T975-I977 VanDerWaalsContact C-N 3.34Å; T975-I977 PolarHBondContact O-N 2.95Å; I977-E979 VanDerWaalsContact C-N 3.35Å; I977-E979 PolarHBondContact O-N 3.16Å; I977-K980 PolarHBondContact O-N 3.12Å; I977-K980 VanDerWaalsContact O-N 3.17Å; I977-E981 HydrophobicContact CG2-CG 4.23Å; I977-E981 WeakPolarHBondContact O-CB 3.34Å; I977-E981 WeakPolarHBondContact O-CG 3.34Å; I977-E981 PolarHBondContact O-N 3.49Å |
| 978 | S | 80 | Confident | 76.3 | Confident | 69 Ų | 69 | 99.2 Ų | 99.2 | 48% | 0.483 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -36.5 | 179.4 | -168.7 | 0 | 0 | 0 | 0 | 113.1 | Q974 T975 K982 | Q974-S978 WeakPolarHBondContact O-CB 3.45Å; Q974-S978 PolarHBondContact O-N 3.47Å; T975-S978 PolarHBondContact O-N 3.2Å; T975-S978 VanDerWaalsContact O-N 3.15Å; S978-K982 VanDerWaalsContact O-CB 3.3Å; S978-K982 WeakPolarHBondContact O-CB 3.39Å; S978-K982 PolarHBondContact O-N 2.85Å |
| 979 | E | 85.8 | Confident | 78.5 | Confident | 131 Ų | 131 | 100.2 Ų | 100.2 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.2 | -40.8 | 172.5 | -74.6 | -178.8 | 164.3 | 0 | 0 | 112 | T975 I977 K982 E983 | T975-E979 WeakPolarHBondContact O-CG 3.31Å; T975-E979 PolarHBondContact O-N 2.95Å; I977-E979 VanDerWaalsContact C-N 3.35Å; I977-E979 PolarHBondContact O-N 3.16Å; E979-K982 PolarHBondContact O-N 3.06Å; E979-E983 WeakPolarHBondContact O-CB 3.37Å; E979-E983 PolarHBondContact O-N 3.35Å |
| 980 | K | 86.3 | Confident | 80.3 | Confident | 109 Ų | 109 | 103.1 Ų | 103.1 | 47% | 0.474 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.1 | -37 | 177.3 | -68.7 | -72.2 | 156 | -162.5 | 0 | 112.7 | V976 I977 K982 E983 I984 | V976-K980 HydrophobicContact CG1-CG 4.48Å; V976-K980 WeakPolarHBondContact O-CB 3.47Å; V976-K980 VanDerWaalsContact O-CG 3.23Å; V976-K980 WeakPolarHBondContact O-CG 3.36Å; V976-K980 PolarHBondContact O-N 2.82Å; I977-K980 PolarHBondContact O-N 3.12Å; I977-K980 VanDerWaalsContact O-N 3.17Å; K980-K982 VanDerWaalsContact C-N 3.32Å; K980-E983 VanDerWaalsContact CD-OE2 3.31Å; K980-E983 WeakPolarHBondContact CD-OE2 3.22Å; K980-E983 WeakPolarHBondContact CE-OE2 3.48Å; K980-E983 IonicContact NZ-OE1 3.16Å; K980-E983 IonicContact NZ-OE2 2.68Å; K980-E983 PolarHBondContact NZ-OE2 2.99Å; K980-E983 PolarHBondContact O-N 3.16Å; K980-I984 WeakPolarHBondContact O-CB 3.25Å; K980-I984 WeakPolarHBondContact O-CD1 3.39Å; K980-I984 WeakPolarHBondContact O-CG1 3.41Å; K980-I984 PolarHBondContact O-N 3.14Å |
| 981 | E | 85.9 | Confident | 81.9 | Confident | 118 Ų | 118 | 100.9 Ų | 100.9 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.8 | -44.1 | 169.1 | -75.2 | 177.6 | 157.2 | 0 | 0 | 110.6 | I977 I984 T985 | I977-E981 HydrophobicContact CG2-CG 4.23Å; I977-E981 WeakPolarHBondContact O-CB 3.34Å; I977-E981 WeakPolarHBondContact O-CG 3.34Å; I977-E981 PolarHBondContact O-N 3.49Å; E981-I984 PolarHBondContact O-N 2.87Å; E981-T985 WeakPolarHBondContact O-CG2 3.43Å; E981-T985 PolarHBondContact O-N 2.89Å; E981-T985 PolarHBondContact O-OG1 2.97Å |
| 982 | K | 91.7 | Very high | 83.5 | Confident | 131 Ų | 131 | 97.5 Ų | 97.5 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.8 | -49.8 | 175.9 | -170.3 | -165.9 | 170.7 | -159.2 | 0 | 111.7 | S978 E979 K980 I984 T985 D986 | S978-K982 VanDerWaalsContact O-CB 3.3Å; S978-K982 WeakPolarHBondContact O-CB 3.39Å; S978-K982 PolarHBondContact O-N 2.85Å; E979-K982 PolarHBondContact O-N 3.06Å; K980-K982 VanDerWaalsContact C-N 3.32Å; K982-I984 VanDerWaalsContact C-N 3.28Å; K982-I984 PolarHBondContact O-N 2.96Å; K982-T985 WeakPolarHBondContact CA-OG1 3.43Å; K982-T985 CarbonylContact O-C 3.57Å; K982-T985 WeakPolarHBondContact O-CA 3.39Å; K982-T985 PolarHBondContact O-N 3.44Å; K982-T985 PolarHBondContact O-OG1 3.33Å; K982-D986 WeakPolarHBondContact CE-OD2 3.35Å; K982-D986 PolarHBondContact O-N 3.34Å |
| 983 | E | 92.6 | Very high | 84.9 | Confident | 91 Ų | 91 | 96.1 Ų | 96.1 | 43% | 0.425 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.4 | -39.3 | 177.1 | -172.1 | 179.2 | -160.2 | 0 | 0 | 111.7 | E979 K980 D986 L987 | E979-E983 WeakPolarHBondContact O-CB 3.37Å; E979-E983 PolarHBondContact O-N 3.35Å; K980-E983 VanDerWaalsContact CD-OE2 3.31Å; K980-E983 WeakPolarHBondContact CD-OE2 3.22Å; K980-E983 WeakPolarHBondContact CE-OE2 3.48Å; K980-E983 IonicContact NZ-OE1 3.16Å; K980-E983 IonicContact NZ-OE2 2.68Å; K980-E983 PolarHBondContact NZ-OE2 2.99Å; K980-E983 PolarHBondContact O-N 3.16Å; E983-D986 PolarHBondContact O-N 3.4Å; E983-L987 HydrophobicContact CG-CD1 4.24Å; E983-L987 WeakPolarHBondContact O-CB 3.5Å; E983-L987 VanDerWaalsContact O-CG 3.27Å; E983-L987 WeakPolarHBondContact O-CG 3.33Å; E983-L987 PolarHBondContact O-N 3.26Å |
| 984 | I | 88 | Confident | 86.1 | Confident | 105 Ų | 105 | 96 Ų | 96 | 54% | 0.538 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 171.5 | -71.6 | 164.3 | 0 | 0 | 0 | 111 | K980 E981 K982 L987 C988 | K980-I984 WeakPolarHBondContact O-CB 3.25Å; K980-I984 WeakPolarHBondContact O-CD1 3.39Å; K980-I984 WeakPolarHBondContact O-CG1 3.41Å; K980-I984 PolarHBondContact O-N 3.14Å; E981-I984 PolarHBondContact O-N 2.87Å; K982-I984 VanDerWaalsContact C-N 3.28Å; K982-I984 PolarHBondContact O-N 2.96Å; I984-L987 PolarHBondContact O-N 2.91Å; I984-C988 WeakPolarHBondContact O-CB 3.49Å; I984-C988 PolarHBondContact O-N 3.5Å; I984-C988 PolarHBondContact O-SG 3.27Å |
| 985 | T | 89.8 | Confident | 87.1 | Confident | 75 Ų | 75 | 95.6 Ų | 95.6 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.9 | -38.6 | 176.2 | 56.8 | 0 | 0 | 0 | 0 | 112.9 | E981 K982 C988 N989 | E981-T985 WeakPolarHBondContact O-CG2 3.43Å; E981-T985 PolarHBondContact O-N 2.89Å; E981-T985 PolarHBondContact O-OG1 2.97Å; K982-T985 WeakPolarHBondContact CA-OG1 3.43Å; K982-T985 CarbonylContact O-C 3.57Å; K982-T985 WeakPolarHBondContact O-CA 3.39Å; K982-T985 PolarHBondContact O-N 3.44Å; K982-T985 PolarHBondContact O-OG1 3.33Å; T985-C988 PolarHBondContact O-N 2.95Å; T985-N989 WeakPolarHBondContact O-CB 3.41Å; T985-N989 PolarHBondContact O-N 3.22Å; T985-N989 PolarHBondContact O-ND2 3.26Å |
| 986 | D | 89.6 | Confident | 88 | Confident | 80 Ų | 80 | 96.4 Ų | 96.4 | 43% | 0.428 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 177.7 | -72.7 | -26.7 | 0 | 0 | 0 | 110.5 | K982 E983 N989 E990 | K982-D986 WeakPolarHBondContact CE-OD2 3.35Å; K982-D986 PolarHBondContact O-N 3.34Å; E983-D986 PolarHBondContact O-N 3.4Å; D986-N989 WeakPolarHBondContact O-CB 3.37Å; D986-N989 PolarHBondContact O-N 3.47Å; D986-E990 PolarHBondContact O-N 2.93Å |
| 987 | L | 90.6 | Very high | 88.7 | Confident | 86 Ų | 86 | 95.4 Ų | 95.4 | 45% | 0.45 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -37.2 | 172.1 | -72.4 | 169.4 | 0 | 0 | 0 | 113 | E983 I984 E990 L991 | E983-L987 HydrophobicContact CG-CD1 4.24Å; E983-L987 WeakPolarHBondContact O-CB 3.5Å; E983-L987 VanDerWaalsContact O-CG 3.27Å; E983-L987 WeakPolarHBondContact O-CG 3.33Å; E983-L987 PolarHBondContact O-N 3.26Å; I984-L987 PolarHBondContact O-N 2.91Å; L987-E990 PolarHBondContact O-N 2.96Å; L987-L991 WeakPolarHBondContact O-CB 3.4Å; L987-L991 VanDerWaalsContact O-CG 3.3Å; L987-L991 WeakPolarHBondContact O-CG 3.36Å; L987-L991 PolarHBondContact O-N 2.98Å |
| 988 | C | 86.9 | Confident | 89.3 | Confident | 71 Ų | 71 | 95 Ų | 95 | 48% | 0.48 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.5 | -39.1 | 173 | -77.5 | 0 | 0 | 0 | 0 | 111.9 | I984 T985 E992 | I984-C988 WeakPolarHBondContact O-CB 3.49Å; I984-C988 PolarHBondContact O-N 3.5Å; I984-C988 PolarHBondContact O-SG 3.27Å; T985-C988 PolarHBondContact O-N 2.95Å; C988-E992 WeakPolarHBondContact O-CB 3.5Å; C988-E992 PolarHBondContact O-N 3.49Å |
| 989 | N | 90.3 | Very high | 89.7 | Confident | 104 Ų | 104 | 95.2 Ų | 95.2 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66 | -40.4 | 174.4 | -70.8 | -35.9 | 0 | 0 | 0 | 111.4 | T985 D986 E992 S993 | T985-N989 WeakPolarHBondContact O-CB 3.41Å; T985-N989 PolarHBondContact O-N 3.22Å; T985-N989 PolarHBondContact O-ND2 3.26Å; D986-N989 WeakPolarHBondContact O-CB 3.37Å; D986-N989 PolarHBondContact O-N 3.47Å; N989-E992 PolarHBondContact O-N 2.91Å; N989-S993 VanDerWaalsContact O-CB 3.26Å; N989-S993 WeakPolarHBondContact O-CB 3.36Å; N989-S993 PolarHBondContact O-N 3.35Å |
| 990 | E | 93.4 | Very high | 89.9 | Confident | 112 Ų | 112 | 95 Ų | 95 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 174.9 | -174.1 | 171.8 | -157.4 | 0 | 0 | 112 | D986 L987 E992 S993 L994 | D986-E990 PolarHBondContact O-N 2.93Å; L987-E990 PolarHBondContact O-N 2.96Å; E990-E992 PolarHBondContact O-N 3.49Å; E990-S993 WeakPolarHBondContact O-CB 3.46Å; E990-S993 PolarHBondContact O-N 2.95Å; E990-L994 HydrophobicContact CG-CD1 3.99Å; E990-L994 HydrophobicContact CG-CG 4.39Å; E990-L994 WeakPolarHBondContact O-CB 3.32Å; E990-L994 WeakPolarHBondContact O-CG 3.35Å; E990-L994 PolarHBondContact O-N 2.65Å |
| 991 | L | 87.5 | Confident | 89.9 | Confident | 117 Ų | 117 | 95.3 Ų | 95.3 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.8 | -42.2 | 174.8 | -77.3 | 170.3 | 0 | 0 | 0 | 112.2 | L987 K995 | L987-L991 WeakPolarHBondContact O-CB 3.4Å; L987-L991 VanDerWaalsContact O-CG 3.3Å; L987-L991 WeakPolarHBondContact O-CG 3.36Å; L987-L991 PolarHBondContact O-N 2.98Å; L991-K995 WeakPolarHBondContact O-CB 3.47Å; L991-K995 PolarHBondContact O-N 2.78Å |
| 992 | E | 90.9 | Very high | 90.2 | Very high | 85 Ų | 85 | 96.5 Ų | 96.5 | 40% | 0.397 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.9 | -35.3 | 175.8 | -170.4 | 57 | -140.6 | 0 | 0 | 111.5 | C988 N989 E990 K995 N996 | C988-E992 WeakPolarHBondContact O-CB 3.5Å; C988-E992 PolarHBondContact O-N 3.49Å; N989-E992 PolarHBondContact O-N 2.91Å; E990-E992 PolarHBondContact O-N 3.49Å; E992-K995 PolarHBondContact O-N 2.89Å; E992-K995 IonicContact OE1-NZ 3.57Å; E992-K995 PolarHBondContact OE1-NZ 3.16Å; E992-K995 IonicContact OE2-NZ 3.77Å; E992-K995 PolarHBondContact OE2-NZ 3.39Å; E992-N996 WeakPolarHBondContact O-CB 3.36Å; E992-N996 PolarHBondContact O-N 3.31Å; E992-N996 PolarHBondContact O-ND2 3.39Å; E992-N996 PolarHBondContact OE1-ND2 2.95Å |
| 993 | S | 90.6 | Very high | 90.2 | Very high | 79 Ų | 79 | 96.2 Ų | 96.2 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.5 | -50.3 | 172.7 | -175.5 | 0 | 0 | 0 | 0 | 111.8 | N989 E990 K995 N996 A997 | N989-S993 VanDerWaalsContact O-CB 3.26Å; N989-S993 WeakPolarHBondContact O-CB 3.36Å; N989-S993 PolarHBondContact O-N 3.35Å; E990-S993 WeakPolarHBondContact O-CB 3.46Å; E990-S993 PolarHBondContact O-N 2.95Å; S993-K995 PolarHBondContact O-N 3.5Å; S993-N996 PolarHBondContact O-N 2.97Å; S993-A997 WeakPolarHBondContact O-CB 3.46Å; S993-A997 PolarHBondContact O-N 2.92Å |
| 994 | L | 90.4 | Very high | 90.2 | Very high | 98 Ų | 98 | 97.1 Ų | 97.1 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 175.4 | -74.9 | 168.1 | 0 | 0 | 0 | 111.7 | E990 A997 V998 | E990-L994 HydrophobicContact CG-CD1 3.99Å; E990-L994 HydrophobicContact CG-CG 4.39Å; E990-L994 WeakPolarHBondContact O-CB 3.32Å; E990-L994 WeakPolarHBondContact O-CG 3.35Å; E990-L994 PolarHBondContact O-N 2.65Å; L994-A997 PolarHBondContact O-N 3.44Å; L994-V998 WeakPolarHBondContact O-CG2 3.4Å; L994-V998 PolarHBondContact O-N 2.96Å |
| 995 | K | 93.8 | Very high | 90.2 | Very high | 118 Ų | 118 | 95.6 Ų | 95.6 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 173.9 | 169.3 | 165.1 | 158.7 | -87.1 | 0 | 111.7 | L991 E992 S993 V998 E999 | L991-K995 WeakPolarHBondContact O-CB 3.47Å; L991-K995 PolarHBondContact O-N 2.78Å; E992-K995 PolarHBondContact O-N 2.89Å; E992-K995 IonicContact OE1-NZ 3.57Å; E992-K995 PolarHBondContact OE1-NZ 3.16Å; E992-K995 IonicContact OE2-NZ 3.77Å; E992-K995 PolarHBondContact OE2-NZ 3.39Å; S993-K995 PolarHBondContact O-N 3.5Å; K995-V998 PolarHBondContact O-N 2.89Å; K995-E999 WeakPolarHBondContact O-CB 3.28Å; K995-E999 PolarHBondContact O-N 2.74Å |
| 996 | N | 92.9 | Very high | 90.3 | Very high | 89 Ų | 89 | 96.4 Ų | 96.4 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.4 | -34.5 | 175.7 | -78.3 | -72.3 | 0 | 0 | 0 | 112.6 | E992 S993 E999 H1000 | E992-N996 WeakPolarHBondContact O-CB 3.36Å; E992-N996 PolarHBondContact O-N 3.31Å; E992-N996 PolarHBondContact O-ND2 3.39Å; E992-N996 PolarHBondContact OE1-ND2 2.95Å; S993-N996 PolarHBondContact O-N 2.97Å; N996-E999 PolarHBondContact O-N 3.06Å; N996-H1000 VanDerWaalsContact O-CB 3.25Å; N996-H1000 WeakPolarHBondContact O-CB 3.45Å; N996-H1000 PolarHBondContact O-N 2.89Å |
| 997 | A | 90.1 | Very high | 90.5 | Very high | 53 Ų | 53 | 96 Ų | 96 | 44% | 0.438 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -43 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | S993 L994 H1000 Q1001 | S993-A997 WeakPolarHBondContact O-CB 3.46Å; S993-A997 PolarHBondContact O-N 2.92Å; L994-A997 PolarHBondContact O-N 3.44Å; A997-H1000 PolarHBondContact O-N 3.46Å; A997-Q1001 VanDerWaalsContact O-CG 3.3Å; A997-Q1001 WeakPolarHBondContact O-CG 3.35Å; A997-Q1001 PolarHBondContact O-N 3.37Å |
| 998 | V | 87.3 | Confident | 90.5 | Very high | 75 Ų | 75 | 95.9 Ų | 95.9 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 173.7 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | L994 K995 H1000 Q1001 R1002 | L994-V998 WeakPolarHBondContact O-CG2 3.4Å; L994-V998 PolarHBondContact O-N 2.96Å; K995-V998 PolarHBondContact O-N 2.89Å; V998-H1000 VanDerWaalsContact C-N 3.34Å; V998-H1000 PolarHBondContact O-N 2.9Å; V998-Q1001 PolarHBondContact O-N 2.87Å; V998-R1002 WeakPolarHBondContact O-CG 3.44Å; V998-R1002 PolarHBondContact O-N 3.49Å |
| 999 | E | 89.1 | Confident | 90.7 | Very high | 73 Ų | 73 | 100.4 Ų | 100.4 | 34% | 0.341 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -36.5 | 178.2 | -155.7 | 58.2 | -144.6 | 0 | 0 | 111.9 | K995 N996 R1002 K1003 | K995-E999 WeakPolarHBondContact O-CB 3.28Å; K995-E999 PolarHBondContact O-N 2.74Å; N996-E999 PolarHBondContact O-N 3.06Å; E999-R1002 PolarHBondContact O-N 3.23Å; E999-R1002 IonicContact OE2-CZ 2.9Å; E999-R1002 IonicContact OE2-NH1 2.6Å; E999-R1002 PolarHBondContact OE2-NH1 2.95Å; E999-K1003 WeakPolarHBondContact O-CG 3.47Å; E999-K1003 PolarHBondContact O-N 3.37Å |
| 1000 | H | 90.4 | Very high | 90.8 | Very high | 125 Ų | 125 | 101.2 Ų | 101.2 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.3 | -40.9 | 171.8 | -177.4 | -90.1 | 0 | 0 | 0 | 112.2 | N996 A997 V998 K1003 K1004 | N996-H1000 VanDerWaalsContact O-CB 3.25Å; N996-H1000 WeakPolarHBondContact O-CB 3.45Å; N996-H1000 PolarHBondContact O-N 2.89Å; A997-H1000 PolarHBondContact O-N 3.46Å; V998-H1000 VanDerWaalsContact C-N 3.34Å; V998-H1000 PolarHBondContact O-N 2.9Å; H1000-K1003 PolarHBondContact O-N 2.81Å; H1000-K1004 WeakPolarHBondContact O-CB 3.44Å; H1000-K1004 PolarHBondContact O-N 3.38Å |
| 1001 | Q | 86.4 | Confident | 90.8 | Very high | 117 Ų | 117 | 101.4 Ų | 101.4 | 55% | 0.547 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.9 | -34.1 | 174.2 | -68.7 | -71.5 | 14.6 | 0 | 0 | 112.4 | A997 V998 N1005 | A997-Q1001 VanDerWaalsContact O-CG 3.3Å; A997-Q1001 WeakPolarHBondContact O-CG 3.35Å; A997-Q1001 PolarHBondContact O-N 3.37Å; V998-Q1001 PolarHBondContact O-N 2.87Å; Q1001-N1005 VanDerWaalsContact O-CB 3.32Å; Q1001-N1005 WeakPolarHBondContact O-CB 3.48Å; Q1001-N1005 PolarHBondContact O-N 3.17Å |
| 1002 | R | 91.3 | Very high | 90.9 | Very high | 143 Ų | 143 | 100.9 Ų | 100.9 | 54% | 0.54 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 171 | -77.6 | 172.1 | 173.1 | 168.1 | -4 | 111.5 | V998 E999 N1005 N1006 | V998-R1002 WeakPolarHBondContact O-CG 3.44Å; V998-R1002 PolarHBondContact O-N 3.49Å; E999-R1002 PolarHBondContact O-N 3.23Å; E999-R1002 IonicContact OE2-CZ 2.9Å; E999-R1002 IonicContact OE2-NH1 2.6Å; E999-R1002 PolarHBondContact OE2-NH1 2.95Å; R1002-N1005 PolarHBondContact O-N 2.83Å; R1002-N1006 PolarHBondContact O-N 2.83Å |
| 1003 | K | 92.2 | Very high | 91.1 | Very high | 125 Ų | 125 | 104.4 Ų | 104.4 | 54% | 0.543 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57 | -53.3 | 174.1 | -72.8 | 171.5 | -177.5 | 174.3 | 0 | 110.7 | E999 H1000 N1005 N1006 D1007 | E999-K1003 WeakPolarHBondContact O-CG 3.47Å; E999-K1003 PolarHBondContact O-N 3.37Å; H1000-K1003 PolarHBondContact O-N 2.81Å; K1003-N1005 VanDerWaalsContact C-N 3.25Å; K1003-N1005 PolarHBondContact O-N 2.68Å; K1003-N1006 CarbonylContact O-C 3.58Å; K1003-N1006 WeakPolarHBondContact O-CA 3.48Å; K1003-N1006 WeakPolarHBondContact O-CB 3.46Å; K1003-N1006 PolarHBondContact O-N 2.88Å; K1003-D1007 VanDerWaalsContact O-CG 3.32Å; K1003-D1007 PolarHBondContact O-N 2.97Å |
| 1004 | K | 92.9 | Very high | 91.1 | Very high | 109 Ų | 109 | 105.6 Ų | 105.6 | 47% | 0.474 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.9 | -35 | 176.5 | -169.8 | 176.6 | 179.9 | -178.2 | 0 | 113.3 | H1000 L1008 | H1000-K1004 WeakPolarHBondContact O-CB 3.44Å; H1000-K1004 PolarHBondContact O-N 3.38Å; K1004-L1008 HydrophobicContact CG-CD1 4.3Å; K1004-L1008 WeakPolarHBondContact O-CB 3.37Å; K1004-L1008 WeakPolarHBondContact O-CD1 3.26Å; K1004-L1008 WeakPolarHBondContact O-CG 3.49Å; K1004-L1008 PolarHBondContact O-N 3.23Å |
| 1005 | N | 88.5 | Confident | 91.1 | Very high | 73 Ų | 73 | 103.1 Ų | 103.1 | 39% | 0.39 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.1 | -37.5 | 174.6 | -163.7 | -103.9 | 0 | 0 | 0 | 112.1 | Q1001 R1002 K1003 L1008 R1009 | Q1001-N1005 VanDerWaalsContact O-CB 3.32Å; Q1001-N1005 WeakPolarHBondContact O-CB 3.48Å; Q1001-N1005 PolarHBondContact O-N 3.17Å; R1002-N1005 PolarHBondContact O-N 2.83Å; K1003-N1005 VanDerWaalsContact C-N 3.25Å; K1003-N1005 PolarHBondContact O-N 2.68Å; N1005-L1008 PolarHBondContact O-N 3.3Å; N1005-R1009 VanDerWaalsContact O-CG 3.29Å; N1005-R1009 WeakPolarHBondContact O-CG 3.18Å; N1005-R1009 PolarHBondContact O-N 3.35Å; N1005-R1009 PolarHBondContact OD1-NE 2.85Å; N1005-R1009 PolarHBondContact OD1-NH2 3.16Å |
| 1006 | N | 91.7 | Very high | 91 | Very high | 93 Ų | 93 | 103.9 Ų | 103.9 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -48 | 173.8 | -68.6 | -11.6 | 0 | 0 | 0 | 111.3 | R1002 K1003 L1008 R1009 E1010 | R1002-N1006 PolarHBondContact O-N 2.83Å; K1003-N1006 CarbonylContact O-C 3.58Å; K1003-N1006 WeakPolarHBondContact O-CA 3.48Å; K1003-N1006 WeakPolarHBondContact O-CB 3.46Å; K1003-N1006 PolarHBondContact O-N 2.88Å; N1006-L1008 PolarHBondContact O-N 3.24Å; N1006-R1009 WeakPolarHBondContact O-CA 3.35Å; N1006-R1009 WeakPolarHBondContact O-CB 3.44Å; N1006-R1009 PolarHBondContact O-N 3.29Å; N1006-E1010 PolarHBondContact O-N 2.98Å |
| 1007 | D | 93.3 | Very high | 90.9 | Very high | 70 Ų | 70 | 105.2 Ų | 105.2 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -54.7 | -37.5 | 173.2 | -61.5 | 8.7 | 0 | 0 | 0 | 111.7 | K1003 K1011 | K1003-D1007 VanDerWaalsContact O-CG 3.32Å; K1003-D1007 PolarHBondContact O-N 2.97Å; D1007-K1011 WeakPolarHBondContact O-CB 3.49Å; D1007-K1011 WeakPolarHBondContact O-CD 3.47Å; D1007-K1011 VanDerWaalsContact O-CG 3.27Å; D1007-K1011 WeakPolarHBondContact O-CG 3.19Å; D1007-K1011 PolarHBondContact O-N 2.91Å |
| 1008 | L | 91.6 | Very high | 90.9 | Very high | 85 Ų | 85 | 105.3 Ų | 105.3 | 45% | 0.445 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -74.4 | -32.8 | 176.3 | -76.9 | 169.2 | 0 | 0 | 0 | 112.5 | K1004 N1005 N1006 N1012 | K1004-L1008 HydrophobicContact CG-CD1 4.3Å; K1004-L1008 WeakPolarHBondContact O-CB 3.37Å; K1004-L1008 WeakPolarHBondContact O-CD1 3.26Å; K1004-L1008 WeakPolarHBondContact O-CG 3.49Å; K1004-L1008 PolarHBondContact O-N 3.23Å; N1005-L1008 PolarHBondContact O-N 3.3Å; N1006-L1008 PolarHBondContact O-N 3.24Å; L1008-N1012 VanDerWaalsContact O-CB 3.3Å; L1008-N1012 WeakPolarHBondContact O-CB 3.33Å; L1008-N1012 PolarHBondContact O-N 3.11Å; L1008-N1012 PolarHBondContact O-ND2 3.47Å |
| 1009 | R | 90.6 | Very high | 90.9 | Very high | 165 Ų | 165 | 107.3 Ų | 107.3 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.5 | -45.2 | 171.8 | -72 | 167.9 | -166.9 | -134.7 | 2 | 111 | N1005 N1006 N1012 W1013 | N1005-R1009 VanDerWaalsContact O-CG 3.29Å; N1005-R1009 WeakPolarHBondContact O-CG 3.18Å; N1005-R1009 PolarHBondContact O-N 3.35Å; N1005-R1009 PolarHBondContact OD1-NE 2.85Å; N1005-R1009 PolarHBondContact OD1-NH2 3.16Å; N1006-R1009 WeakPolarHBondContact O-CA 3.35Å; N1006-R1009 WeakPolarHBondContact O-CB 3.44Å; N1006-R1009 PolarHBondContact O-N 3.29Å; R1009-N1012 PolarHBondContact O-N 3.3Å; R1009-W1013 WeakPolarHBondContact O-CB 3.36Å; R1009-W1013 PolarHBondContact O-N 3.4Å |
| 1010 | E | 92.2 | Very high | 90.9 | Very high | 121 Ų | 121 | 106.3 Ų | 106.3 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.2 | -52 | 176.6 | -171.8 | 168.3 | -133.4 | 0 | 0 | 110.2 | N1006 N1012 W1013 E1014 | N1006-E1010 PolarHBondContact O-N 2.98Å; E1010-N1012 VanDerWaalsContact C-N 3.35Å; E1010-N1012 PolarHBondContact O-N 2.9Å; E1010-W1013 CarbonylContact O-C 3.57Å; E1010-W1013 WeakPolarHBondContact O-CA 3.42Å; E1010-W1013 WeakPolarHBondContact O-CB 3.47Å; E1010-W1013 PolarHBondContact O-N 3.02Å; E1010-E1014 WeakPolarHBondContact O-CG 3.46Å; E1010-E1014 PolarHBondContact O-N 3.46Å |
| 1011 | K | 92.9 | Very high | 91 | Very high | 116 Ų | 116 | 104 Ų | 104 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -32 | 177.2 | -72.2 | 163.2 | -172.8 | 153.2 | 0 | 114.2 | D1007 A1015 | D1007-K1011 WeakPolarHBondContact O-CB 3.49Å; D1007-K1011 WeakPolarHBondContact O-CD 3.47Å; D1007-K1011 VanDerWaalsContact O-CG 3.27Å; D1007-K1011 WeakPolarHBondContact O-CG 3.19Å; D1007-K1011 PolarHBondContact O-N 2.91Å; K1011-A1015 WeakPolarHBondContact O-CB 3.37Å; K1011-A1015 PolarHBondContact O-N 2.78Å |
| 1012 | N | 89.8 | Confident | 91.1 | Very high | 106 Ų | 106 | 101.5 Ų | 101.5 | 57% | 0.567 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.8 | -33.5 | 171.5 | -86.9 | -82.4 | 0 | 0 | 0 | 112 | L1008 R1009 E1010 M1016 | L1008-N1012 VanDerWaalsContact O-CB 3.3Å; L1008-N1012 WeakPolarHBondContact O-CB 3.33Å; L1008-N1012 PolarHBondContact O-N 3.11Å; L1008-N1012 PolarHBondContact O-ND2 3.47Å; R1009-N1012 PolarHBondContact O-N 3.3Å; E1010-N1012 VanDerWaalsContact C-N 3.35Å; E1010-N1012 PolarHBondContact O-N 2.9Å; N1012-M1016 VanDerWaalsContact O-CB 3.24Å; N1012-M1016 WeakPolarHBondContact O-CB 3.39Å; N1012-M1016 PolarHBondContact O-N 2.66Å |
| 1013 | W | 94.7 | Very high | 91.1 | Very high | 159 Ų | 159 | 101.3 Ų | 101.3 | 60% | 0.602 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -70.6 | -45.3 | 175.2 | 178.9 | 78.6 | 0 | 0 | 0 | 111.3 | R1009 E1010 A1015 M1016 E1017 | R1009-W1013 WeakPolarHBondContact O-CB 3.36Å; R1009-W1013 PolarHBondContact O-N 3.4Å; E1010-W1013 CarbonylContact O-C 3.57Å; E1010-W1013 WeakPolarHBondContact O-CA 3.42Å; E1010-W1013 WeakPolarHBondContact O-CB 3.47Å; E1010-W1013 PolarHBondContact O-N 3.02Å; W1013-A1015 VanDerWaalsContact C-N 3.34Å; W1013-A1015 PolarHBondContact O-N 3.38Å; W1013-M1016 PolarHBondContact O-N 3.2Å; W1013-M1016 VanDerWaalsContact O-N 3.17Å; W1013-E1017 PolarHBondContact O-N 3.34Å |
| 1014 | E | 91.1 | Very high | 91.1 | Very high | 105 Ų | 105 | 102 Ų | 102 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.3 | -44.9 | 170.3 | -69.9 | -178.8 | 138.1 | 0 | 0 | 111.6 | E1010 M1016 E1017 A1018 | E1010-E1014 WeakPolarHBondContact O-CG 3.46Å; E1010-E1014 PolarHBondContact O-N 3.46Å; E1014-M1016 VanDerWaalsContact C-N 3.34Å; E1014-M1016 PolarHBondContact O-N 2.97Å; E1014-E1017 PolarHBondContact O-N 2.92Å; E1014-A1018 VanDerWaalsContact O-CB 3.26Å; E1014-A1018 WeakPolarHBondContact O-CB 3.35Å; E1014-A1018 PolarHBondContact O-N 2.92Å |
| 1015 | A | 91.1 | Very high | 91.1 | Very high | 46 Ų | 46 | 101.5 Ų | 101.5 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -36.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1011 W1013 L1019 | K1011-A1015 WeakPolarHBondContact O-CB 3.37Å; K1011-A1015 PolarHBondContact O-N 2.78Å; W1013-A1015 VanDerWaalsContact C-N 3.34Å; W1013-A1015 PolarHBondContact O-N 3.38Å; A1015-L1019 WeakPolarHBondContact O-CB 3.43Å; A1015-L1019 VanDerWaalsContact O-CG 3.24Å; A1015-L1019 WeakPolarHBondContact O-CG 3.35Å; A1015-L1019 PolarHBondContact O-N 3.45Å |
| 1016 | M | 90.4 | Very high | 91.2 | Very high | 133 Ų | 133 | 102.7 Ų | 102.7 | 66% | 0.655 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.3 | -38.8 | 176 | -171.9 | 176 | -67.5 | 0 | 0 | 112 | N1012 W1013 E1014 L1019 A1020 | N1012-M1016 VanDerWaalsContact O-CB 3.24Å; N1012-M1016 WeakPolarHBondContact O-CB 3.39Å; N1012-M1016 PolarHBondContact O-N 2.66Å; W1013-M1016 PolarHBondContact O-N 3.2Å; W1013-M1016 VanDerWaalsContact O-N 3.17Å; E1014-M1016 VanDerWaalsContact C-N 3.34Å; E1014-M1016 PolarHBondContact O-N 2.97Å; M1016-L1019 PolarHBondContact O-N 2.95Å; M1016-A1020 WeakPolarHBondContact O-CB 3.42Å; M1016-A1020 PolarHBondContact O-N 3.22Å |
| 1017 | E | 91.6 | Very high | 91.1 | Very high | 118 Ų | 118 | 103.6 Ų | 103.6 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.1 | -40.9 | 173.6 | -174.1 | 171.3 | -129.7 | 0 | 0 | 111.3 | W1013 E1014 A1020 S1021 | W1013-E1017 PolarHBondContact O-N 3.34Å; E1014-E1017 PolarHBondContact O-N 2.92Å; E1017-A1020 PolarHBondContact O-N 3.08Å; E1017-S1021 WeakPolarHBondContact O-CB 3.25Å; E1017-S1021 PolarHBondContact O-N 3.29Å |
| 1018 | A | 90.8 | Very high | 91 | Very high | 55 Ų | 55 | 104.7 Ų | 104.7 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E1014 S1021 T1022 | E1014-A1018 VanDerWaalsContact O-CB 3.26Å; E1014-A1018 WeakPolarHBondContact O-CB 3.35Å; E1014-A1018 PolarHBondContact O-N 2.92Å; A1018-S1021 WeakPolarHBondContact O-CB 3.23Å; A1018-S1021 PolarHBondContact O-N 2.96Å; A1018-T1022 WeakPolarHBondContact O-CG2 3.5Å; A1018-T1022 PolarHBondContact O-N 3.4Å; A1018-T1022 PolarHBondContact O-OG1 3.48Å |
| 1019 | L | 87 | Confident | 90.9 | Very high | 117 Ų | 117 | 108.3 Ų | 108.3 | 61% | 0.613 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.7 | -51.7 | 174.7 | -78.5 | 168.9 | 0 | 0 | 0 | 111.2 | A1015 M1016 S1021 T1022 E1023 | A1015-L1019 WeakPolarHBondContact O-CB 3.43Å; A1015-L1019 VanDerWaalsContact O-CG 3.24Å; A1015-L1019 WeakPolarHBondContact O-CG 3.35Å; A1015-L1019 PolarHBondContact O-N 3.45Å; M1016-L1019 PolarHBondContact O-N 2.95Å; L1019-S1021 PolarHBondContact O-N 2.79Å; L1019-T1022 CarbonylContact O-C 3.58Å; L1019-T1022 PolarHBondContact O-N 3.36Å; L1019-T1022 PolarHBondContact O-OG1 2.92Å; L1019-E1023 WeakPolarHBondContact O-CB 3.47Å; L1019-E1023 PolarHBondContact O-N 2.87Å |
| 1020 | A | 88.2 | Confident | 90.9 | Very high | 51 Ų | 51 | 104.7 Ų | 104.7 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.5 | -34.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1016 E1017 K1024 | M1016-A1020 WeakPolarHBondContact O-CB 3.42Å; M1016-A1020 PolarHBondContact O-N 3.22Å; E1017-A1020 PolarHBondContact O-N 3.08Å; A1020-K1024 VanDerWaalsContact O-CB 3.24Å; A1020-K1024 WeakPolarHBondContact O-CB 3.49Å; A1020-K1024 PolarHBondContact O-N 2.88Å |
| 1021 | S | 91.9 | Very high | 90.8 | Very high | 76 Ų | 76 | 103.2 Ų | 103.2 | 53% | 0.531 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 173 | -172.4 | 0 | 0 | 0 | 0 | 112 | E1017 A1018 L1019 M1025 | E1017-S1021 WeakPolarHBondContact O-CB 3.25Å; E1017-S1021 PolarHBondContact O-N 3.29Å; A1018-S1021 WeakPolarHBondContact O-CB 3.23Å; A1018-S1021 PolarHBondContact O-N 2.96Å; L1019-S1021 PolarHBondContact O-N 2.79Å; S1021-M1025 WeakPolarHBondContact O-CB 3.43Å; S1021-M1025 PolarHBondContact O-N 3.49Å |
| 1022 | T | 89.8 | Confident | 90.8 | Very high | 65 Ų | 65 | 103.6 Ų | 103.6 | 40% | 0.399 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69 | -39.8 | 174.1 | 59.8 | 0 | 0 | 0 | 0 | 113 | A1018 L1019 M1025 L1026 | A1018-T1022 WeakPolarHBondContact O-CG2 3.5Å; A1018-T1022 PolarHBondContact O-N 3.4Å; A1018-T1022 PolarHBondContact O-OG1 3.48Å; L1019-T1022 CarbonylContact O-C 3.58Å; L1019-T1022 PolarHBondContact O-N 3.36Å; L1019-T1022 PolarHBondContact O-OG1 2.92Å; T1022-M1025 PolarHBondContact O-N 2.97Å; T1022-L1026 WeakPolarHBondContact O-CB 3.48Å; T1022-L1026 VanDerWaalsContact O-CG 3.29Å; T1022-L1026 WeakPolarHBondContact O-CG 3.4Å; T1022-L1026 PolarHBondContact O-N 3.08Å |
| 1023 | E | 90.3 | Very high | 90.7 | Very high | 139 Ų | 139 | 101.5 Ų | 101.5 | 65% | 0.65 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.3 | -49.2 | 174.1 | -177.6 | -178.1 | -169.9 | 0 | 0 | 110.2 | L1019 M1025 L1026 Q1027 | L1019-E1023 WeakPolarHBondContact O-CB 3.47Å; L1019-E1023 PolarHBondContact O-N 2.87Å; E1023-M1025 PolarHBondContact O-N 3.25Å; E1023-L1026 PolarHBondContact O-N 2.85Å; E1023-Q1027 WeakPolarHBondContact O-CB 3.18Å; E1023-Q1027 PolarHBondContact O-N 3.31Å |
| 1024 | K | 92.5 | Very high | 90.2 | Very high | 140 Ų | 140 | 96.7 Ų | 96.7 | 61% | 0.609 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.6 | -44.1 | 174.7 | -176.2 | 177.2 | 178.2 | -179.3 | 0 | 112.2 | A1020 L1026 Q1027 D1028 | A1020-K1024 VanDerWaalsContact O-CB 3.24Å; A1020-K1024 WeakPolarHBondContact O-CB 3.49Å; A1020-K1024 PolarHBondContact O-N 2.88Å; K1024-L1026 VanDerWaalsContact C-N 3.33Å; K1024-L1026 PolarHBondContact O-N 3.13Å; K1024-Q1027 PolarHBondContact O-N 2.97Å; K1024-D1028 WeakPolarHBondContact O-CB 3.31Å; K1024-D1028 PolarHBondContact O-N 2.74Å |
| 1025 | M | 93.4 | Very high | 90.1 | Very high | 98 Ų | 98 | 98 Ų | 98 | 48% | 0.483 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 176.9 | -167.7 | -144.8 | -56.6 | 0 | 0 | 112.1 | S1021 T1022 E1023 R1029 | S1021-M1025 WeakPolarHBondContact O-CB 3.43Å; S1021-M1025 PolarHBondContact O-N 3.49Å; T1022-M1025 PolarHBondContact O-N 2.97Å; E1023-M1025 PolarHBondContact O-N 3.25Å; M1025-R1029 WeakPolarHBondContact O-CB 3.4Å; M1025-R1029 WeakPolarHBondContact O-CG 3.46Å; M1025-R1029 PolarHBondContact O-N 3.45Å |
| 1026 | L | 90.8 | Very high | 89.9 | Confident | 99 Ų | 99 | 100.2 Ų | 100.2 | 52% | 0.518 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.6 | -42.6 | 175.9 | -72.4 | 171.4 | 0 | 0 | 0 | 111.1 | T1022 E1023 K1024 R1029 V1030 | T1022-L1026 WeakPolarHBondContact O-CB 3.48Å; T1022-L1026 VanDerWaalsContact O-CG 3.29Å; T1022-L1026 WeakPolarHBondContact O-CG 3.4Å; T1022-L1026 PolarHBondContact O-N 3.08Å; E1023-L1026 PolarHBondContact O-N 2.85Å; K1024-L1026 VanDerWaalsContact C-N 3.33Å; K1024-L1026 PolarHBondContact O-N 3.13Å; L1026-R1029 CarbonylContact O-C 3.6Å; L1026-R1029 WeakPolarHBondContact O-CB 3.41Å; L1026-R1029 PolarHBondContact O-N 3.3Å; L1026-V1030 WeakPolarHBondContact O-CB 3.34Å; L1026-V1030 WeakPolarHBondContact O-CG2 3.24Å; L1026-V1030 PolarHBondContact O-N 2.84Å |
| 1027 | Q | 88.8 | Confident | 89.6 | Confident | 111 Ų | 111 | 102.6 Ų | 102.6 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 176.8 | -171.7 | 67.8 | -20.4 | 0 | 0 | 111.7 | E1023 K1024 R1029 V1030 N1031 | E1023-Q1027 WeakPolarHBondContact O-CB 3.18Å; E1023-Q1027 PolarHBondContact O-N 3.31Å; K1024-Q1027 PolarHBondContact O-N 2.97Å; Q1027-R1029 VanDerWaalsContact C-N 3.35Å; Q1027-R1029 PolarHBondContact O-N 2.64Å; Q1027-V1030 PolarHBondContact O-N 2.7Å; Q1027-N1031 VanDerWaalsContact O-CB 3.3Å; Q1027-N1031 WeakPolarHBondContact O-CB 3.49Å; Q1027-N1031 VanDerWaalsContact O-CG 3.24Å; Q1027-N1031 PolarHBondContact O-N 2.84Å; Q1027-N1031 PolarHBondContact O-ND2 3.01Å; Q1027-N1031 VanDerWaalsContact O-ND2 3.11Å |
| 1028 | D | 91.1 | Very high | 89.4 | Confident | 93 Ų | 93 | 104.4 Ų | 104.4 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 173.2 | -77.3 | -24.9 | 0 | 0 | 0 | 111.8 | K1024 K1032 | K1024-D1028 WeakPolarHBondContact O-CB 3.31Å; K1024-D1028 PolarHBondContact O-N 2.74Å; D1028-K1032 WeakPolarHBondContact O-CB 3.42Å; D1028-K1032 PolarHBondContact O-N 2.76Å |
| 1029 | R | 91.3 | Very high | 89.3 | Confident | 162 Ų | 162 | 106.8 Ų | 106.8 | 61% | 0.611 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.5 | -46.6 | 171.5 | -83.7 | 178.6 | 164.9 | -159.7 | -3.2 | 112.3 | M1025 L1026 Q1027 K1032 T1033 | M1025-R1029 WeakPolarHBondContact O-CB 3.4Å; M1025-R1029 WeakPolarHBondContact O-CG 3.46Å; M1025-R1029 PolarHBondContact O-N 3.45Å; L1026-R1029 CarbonylContact O-C 3.6Å; L1026-R1029 WeakPolarHBondContact O-CB 3.41Å; L1026-R1029 PolarHBondContact O-N 3.3Å; Q1027-R1029 VanDerWaalsContact C-N 3.35Å; Q1027-R1029 PolarHBondContact O-N 2.64Å; R1029-K1032 PolarHBondContact O-N 2.73Å; R1029-T1033 WeakPolarHBondContact O-CB 3.39Å; R1029-T1033 PolarHBondContact O-N 2.65Å; R1029-T1033 PolarHBondContact O-OG1 3.43Å |
| 1030 | V | 89.6 | Confident | 89.2 | Confident | 89 Ų | 89 | 107.4 Ų | 107.4 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 177.9 | 167.6 | 0 | 0 | 0 | 0 | 110.5 | L1026 Q1027 K1032 T1033 S1034 | L1026-V1030 WeakPolarHBondContact O-CB 3.34Å; L1026-V1030 WeakPolarHBondContact O-CG2 3.24Å; L1026-V1030 PolarHBondContact O-N 2.84Å; Q1027-V1030 PolarHBondContact O-N 2.7Å; V1030-K1032 PolarHBondContact O-N 2.88Å; V1030-T1033 PolarHBondContact O-N 3.47Å; V1030-S1034 WeakPolarHBondContact O-CB 3.38Å; V1030-S1034 PolarHBondContact O-N 3.29Å |
| 1031 | N | 89.9 | Confident | 89.1 | Confident | 89 Ų | 89 | 108.8 Ų | 108.8 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 174.9 | -75.6 | -35 | 0 | 0 | 0 | 112 | Q1027 S1034 K1035 | Q1027-N1031 VanDerWaalsContact O-CB 3.3Å; Q1027-N1031 WeakPolarHBondContact O-CB 3.49Å; Q1027-N1031 VanDerWaalsContact O-CG 3.24Å; Q1027-N1031 PolarHBondContact O-N 2.84Å; Q1027-N1031 PolarHBondContact O-ND2 3.01Å; Q1027-N1031 VanDerWaalsContact O-ND2 3.11Å; N1031-S1034 PolarHBondContact O-N 3.43Å; N1031-K1035 WeakPolarHBondContact O-CB 3.37Å; N1031-K1035 PolarHBondContact O-N 3.27Å |
| 1032 | K | 92.5 | Very high | 88.9 | Confident | 125 Ų | 125 | 110.1 Ų | 110.1 | 54% | 0.543 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.1 | -51.6 | 176 | 178.9 | 173.6 | 172.2 | 177.5 | 0 | 111.8 | D1028 R1029 V1030 S1034 K1035 E1036 | D1028-K1032 WeakPolarHBondContact O-CB 3.42Å; D1028-K1032 PolarHBondContact O-N 2.76Å; R1029-K1032 PolarHBondContact O-N 2.73Å; V1030-K1032 PolarHBondContact O-N 2.88Å; K1032-S1034 VanDerWaalsContact C-N 3.3Å; K1032-S1034 PolarHBondContact O-N 3.25Å; K1032-K1035 WeakPolarHBondContact O-CB 3.49Å; K1032-K1035 PolarHBondContact O-N 2.9Å; K1032-K1035 VanDerWaalsContact O-N 3.13Å; K1032-E1036 WeakPolarHBondContact CE-OE1 3.2Å; K1032-E1036 HydrophobicContact CG-CG 4.36Å; K1032-E1036 IonicContact NZ-OE1 3.63Å; K1032-E1036 WeakPolarHBondContact O-CG 3.36Å; K1032-E1036 PolarHBondContact O-N 3.27Å |
| 1033 | T | 87.3 | Confident | 88.8 | Confident | 61 Ų | 61 | 109.5 Ų | 109.5 | 37% | 0.374 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -34.7 | 178.4 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | R1029 V1030 R1037 | R1029-T1033 WeakPolarHBondContact O-CB 3.39Å; R1029-T1033 PolarHBondContact O-N 2.65Å; R1029-T1033 PolarHBondContact O-OG1 3.43Å; V1030-T1033 PolarHBondContact O-N 3.47Å; T1033-R1037 HydrophobicContact CG2-CG 4.4Å; T1033-R1037 VanDerWaalsContact O-CB 3.29Å; T1033-R1037 WeakPolarHBondContact O-CB 3.44Å; T1033-R1037 VanDerWaalsContact O-CG 3.25Å; T1033-R1037 WeakPolarHBondContact O-CG 3.28Å; T1033-R1037 PolarHBondContact O-N 2.87Å |
| 1034 | S | 84.1 | Confident | 88.5 | Confident | 58 Ų | 58 | 106.7 Ų | 106.7 | 41% | 0.406 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 172.3 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | V1030 N1031 K1032 R1038 | V1030-S1034 WeakPolarHBondContact O-CB 3.38Å; V1030-S1034 PolarHBondContact O-N 3.29Å; N1031-S1034 PolarHBondContact O-N 3.43Å; K1032-S1034 VanDerWaalsContact C-N 3.3Å; K1032-S1034 PolarHBondContact O-N 3.25Å; S1034-R1038 WeakPolarHBondContact O-CB 3.26Å; S1034-R1038 PolarHBondContact O-N 3.26Å |
| 1035 | K | 89.4 | Confident | 88.3 | Confident | 134 Ų | 134 | 103 Ų | 103 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.2 | -44.8 | 175.5 | -173 | 177.3 | -179.5 | 179.2 | 0 | 112.4 | N1031 K1032 R1038 Q1039 | N1031-K1035 WeakPolarHBondContact O-CB 3.37Å; N1031-K1035 PolarHBondContact O-N 3.27Å; K1032-K1035 WeakPolarHBondContact O-CB 3.49Å; K1032-K1035 PolarHBondContact O-N 2.9Å; K1032-K1035 VanDerWaalsContact O-N 3.13Å; K1035-R1038 PolarHBondContact O-N 2.81Å; K1035-Q1039 WeakPolarHBondContact O-CG 3.23Å; K1035-Q1039 PolarHBondContact O-N 2.85Å |
| 1036 | E | 88.2 | Confident | 88 | Confident | 91 Ų | 91 | 103.4 Ų | 103.4 | 43% | 0.425 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 178 | -72.4 | 170.7 | 157.8 | 0 | 0 | 111.4 | K1032 R1038 Q1039 H1040 | K1032-E1036 WeakPolarHBondContact CE-OE1 3.2Å; K1032-E1036 HydrophobicContact CG-CG 4.36Å; K1032-E1036 IonicContact NZ-OE1 3.63Å; K1032-E1036 WeakPolarHBondContact O-CG 3.36Å; K1032-E1036 PolarHBondContact O-N 3.27Å; E1036-R1038 PolarHBondContact O-N 2.83Å; E1036-Q1039 PolarHBondContact O-N 3.17Å; E1036-H1040 WeakPolarHBondContact O-CB 3.42Å; E1036-H1040 PolarHBondContact O-N 2.87Å |
| 1037 | R | 84.2 | Confident | 87.9 | Confident | 183 Ų | 183 | 105.5 Ų | 105.5 | 69% | 0.691 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.3 | -44.3 | 172 | -77.4 | 177.4 | 179.6 | -173.4 | 0.5 | 111.8 | T1033 H1040 V1041 | T1033-R1037 HydrophobicContact CG2-CG 4.4Å; T1033-R1037 VanDerWaalsContact O-CB 3.29Å; T1033-R1037 WeakPolarHBondContact O-CB 3.44Å; T1033-R1037 VanDerWaalsContact O-CG 3.25Å; T1033-R1037 WeakPolarHBondContact O-CG 3.28Å; T1033-R1037 PolarHBondContact O-N 2.87Å; R1037-H1040 PolarHBondContact O-N 2.85Å; R1037-V1041 WeakPolarHBondContact O-CG2 3.39Å; R1037-V1041 PolarHBondContact O-N 3.33Å |
| 1038 | R | 86.3 | Confident | 87.7 | Confident | 156 Ų | 156 | 101.7 Ų | 101.7 | 59% | 0.589 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.5 | -47.9 | 177.7 | -168.4 | -173.9 | -57.1 | -177.1 | 2 | 111.7 | S1034 K1035 E1036 H1040 V1041 E1042 | S1034-R1038 WeakPolarHBondContact O-CB 3.26Å; S1034-R1038 PolarHBondContact O-N 3.26Å; K1035-R1038 PolarHBondContact O-N 2.81Å; E1036-R1038 PolarHBondContact O-N 2.83Å; R1038-H1040 VanDerWaalsContact C-N 3.28Å; R1038-H1040 PolarHBondContact O-N 3.22Å; R1038-V1041 PolarHBondContact O-N 2.77Å; R1038-E1042 WeakPolarHBondContact CD-OE1 3.37Å; R1038-E1042 WeakPolarHBondContact CG-OE1 3.37Å; R1038-E1042 WeakPolarHBondContact O-CB 3.36Å; R1038-E1042 WeakPolarHBondContact O-CG 3.48Å; R1038-E1042 PolarHBondContact O-N 3.42Å |
| 1039 | Q | 88.4 | Confident | 87.6 | Confident | 106 Ų | 106 | 98.7 Ų | 98.7 | 50% | 0.495 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -34.6 | 176.9 | -71.6 | -179.5 | -47.2 | 0 | 0 | 112.4 | K1035 E1036 A1043 | K1035-Q1039 WeakPolarHBondContact O-CG 3.23Å; K1035-Q1039 PolarHBondContact O-N 2.85Å; E1036-Q1039 PolarHBondContact O-N 3.17Å; Q1039-A1043 WeakPolarHBondContact O-CB 3.44Å; Q1039-A1043 PolarHBondContact O-N 3.22Å |
| 1040 | H | 85.1 | Confident | 87.3 | Confident | 130 Ų | 130 | 94.8 Ų | 94.8 | 60% | 0.602 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -71.6 | -38.6 | 176.5 | -157.9 | 41.4 | 0 | 0 | 0 | 112.1 | E1036 R1037 R1038 A1043 I1044 | E1036-H1040 WeakPolarHBondContact O-CB 3.42Å; E1036-H1040 PolarHBondContact O-N 2.87Å; R1037-H1040 PolarHBondContact O-N 2.85Å; R1038-H1040 VanDerWaalsContact C-N 3.28Å; R1038-H1040 PolarHBondContact O-N 3.22Å; H1040-A1043 PolarHBondContact O-N 3.45Å; H1040-I1044 WeakPolarHBondContact O-CB 3.44Å; H1040-I1044 WeakPolarHBondContact O-CD1 3.47Å; H1040-I1044 VanDerWaalsContact O-CG1 3.25Å; H1040-I1044 WeakPolarHBondContact O-CG1 3.42Å; H1040-I1044 PolarHBondContact O-N 3.37Å |
| 1041 | V | 85.4 | Confident | 87.1 | Confident | 79 Ų | 79 | 94 Ų | 94 | 48% | 0.479 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.2 | -52.5 | 169.6 | 171.3 | 0 | 0 | 0 | 0 | 110.4 | R1037 R1038 A1043 I1044 E1045 | R1037-V1041 WeakPolarHBondContact O-CG2 3.39Å; R1037-V1041 PolarHBondContact O-N 3.33Å; R1038-V1041 PolarHBondContact O-N 2.77Å; V1041-A1043 PolarHBondContact O-N 3Å; V1041-I1044 PolarHBondContact O-N 2.82Å; V1041-E1045 HydrophobicContact CG1-CG 4.13Å; V1041-E1045 WeakPolarHBondContact O-CG 3.37Å; V1041-E1045 PolarHBondContact O-N 3.43Å |
| 1042 | E | 88 | Confident | 86.9 | Confident | 104 Ų | 104 | 91.7 Ų | 91.7 | 49% | 0.486 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -54.8 | -38.4 | 177.8 | -72.6 | 166.5 | -174.4 | 0 | 0 | 112.3 | R1038 L1046 | R1038-E1042 WeakPolarHBondContact CD-OE1 3.37Å; R1038-E1042 WeakPolarHBondContact CG-OE1 3.37Å; R1038-E1042 WeakPolarHBondContact O-CB 3.36Å; R1038-E1042 WeakPolarHBondContact O-CG 3.48Å; R1038-E1042 PolarHBondContact O-N 3.42Å; E1042-L1046 WeakPolarHBondContact O-CB 3.31Å; E1042-L1046 PolarHBondContact O-N 3.03Å |
| 1043 | A | 88.1 | Confident | 86.5 | Confident | 52 Ų | 52 | 89.9 Ų | 89.9 | 43% | 0.43 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.4 | -45 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q1039 H1040 V1041 E1045 L1046 E1047 | Q1039-A1043 WeakPolarHBondContact O-CB 3.44Å; Q1039-A1043 PolarHBondContact O-N 3.22Å; H1040-A1043 PolarHBondContact O-N 3.45Å; V1041-A1043 PolarHBondContact O-N 3Å; A1043-E1045 VanDerWaalsContact C-N 3.34Å; A1043-L1046 PolarHBondContact O-N 2.95Å; A1043-E1047 PolarHBondContact O-N 2.93Å |
| 1044 | I | 84.1 | Confident | 86.3 | Confident | 81 Ų | 81 | 95.2 Ų | 95.2 | 42% | 0.415 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.6 | -37.2 | 176.9 | -68.9 | 163.8 | 0 | 0 | 0 | 110.9 | H1040 V1041 S1048 | H1040-I1044 WeakPolarHBondContact O-CB 3.44Å; H1040-I1044 WeakPolarHBondContact O-CD1 3.47Å; H1040-I1044 VanDerWaalsContact O-CG1 3.25Å; H1040-I1044 WeakPolarHBondContact O-CG1 3.42Å; H1040-I1044 PolarHBondContact O-N 3.37Å; V1041-I1044 PolarHBondContact O-N 2.82Å; I1044-S1048 WeakPolarHBondContact O-CB 3.36Å; I1044-S1048 PolarHBondContact O-N 3.25Å; I1044-S1048 PolarHBondContact O-OG 3.45Å |
| 1045 | E | 89.1 | Confident | 86.1 | Confident | 61 Ų | 61 | 97 Ų | 97 | 29% | 0.285 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 173.2 | -70.7 | -165.8 | 163.5 | 0 | 0 | 111.9 | V1041 A1043 K1049 Y1067 | V1041-E1045 HydrophobicContact CG1-CG 4.13Å; V1041-E1045 WeakPolarHBondContact O-CG 3.37Å; V1041-E1045 PolarHBondContact O-N 3.43Å; A1043-E1045 VanDerWaalsContact C-N 3.34Å; E1045-K1049 VanDerWaalsContact O-CB 3.29Å; E1045-K1049 WeakPolarHBondContact O-CB 3.23Å; E1045-K1049 WeakPolarHBondContact O-CG 3.49Å; E1045-K1049 PolarHBondContact O-N 3Å; E1045-Y1067 HydrophobicContact CB-CD1 4.25Å; E1045-Y1067 HydrophobicContact CB-CD2 3.62Å; E1045-Y1067 HydrophobicContact CB-CE1 4.47Å; E1045-Y1067 HydrophobicContact CB-CE2 3.91Å; E1045-Y1067 HydrophobicContact CB-CG 3.82Å; E1045-Y1067 HydrophobicContact CG-CD1 3.51Å; E1045-Y1067 HydrophobicContact CG-CD2 3.84Å; E1045-Y1067 HydrophobicContact CG-CE1 3.83Å; E1045-Y1067 HydrophobicContact CG-CE2 4.16Å; E1045-Y1067 HydrophobicContact CG-CG 3.51Å; E1045-Y1067 VanDerWaalsContact O-CE2 3.32Å; E1045-Y1067 WeakPolarHBondContact O-CE2 3.4Å; E1045-Y1067 VanDerWaalsContact OE1-CB 3.31Å; E1045-Y1067 WeakPolarHBondContact OE1-CB 3.17Å; E1045-Y1067 VanDerWaalsContact OE1-CD1 3.29Å; E1045-Y1067 WeakPolarHBondContact OE1-CD1 3.27Å; E1045-Y1067 WeakPolarHBondContact OE2-CB 3.47Å |
| 1046 | L | 87.1 | Confident | 85.6 | Confident | 108 Ų | 108 | 93.8 Ų | 93.8 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -68.9 | -48.4 | 176.6 | -165.4 | 81.7 | 0 | 0 | 0 | 111.6 | E1042 A1043 S1048 K1049 D1050 | E1042-L1046 WeakPolarHBondContact O-CB 3.31Å; E1042-L1046 PolarHBondContact O-N 3.03Å; A1043-L1046 PolarHBondContact O-N 2.95Å; L1046-S1048 VanDerWaalsContact C-N 3.32Å; L1046-S1048 PolarHBondContact O-N 3.05Å; L1046-K1049 WeakPolarHBondContact O-CB 3.33Å; L1046-K1049 PolarHBondContact O-N 3.36Å; L1046-D1050 PolarHBondContact O-N 2.87Å |
| 1047 | E | 87.3 | Confident | 85.2 | Confident | 143 Ų | 143 | 94.8 Ų | 94.8 | 67% | 0.668 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.5 | -41.5 | 177.5 | -176.7 | 172.2 | -161.2 | 0 | 0 | 111 | A1043 D1050 L1051 | A1043-E1047 PolarHBondContact O-N 2.93Å; E1047-D1050 PolarHBondContact O-N 3.18Å; E1047-L1051 WeakPolarHBondContact O-CB 3.49Å; E1047-L1051 PolarHBondContact O-N 3.13Å |
| 1048 | S | 85.4 | Confident | 84.4 | Confident | 30 Ų | 30 | 91.9 Ų | 91.9 | 21% | 0.21 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 175 | -60.5 | 0 | 0 | 0 | 0 | 112 | I1044 L1046 D1050 L1052 Y1067 | I1044-S1048 WeakPolarHBondContact O-CB 3.36Å; I1044-S1048 PolarHBondContact O-N 3.25Å; I1044-S1048 PolarHBondContact O-OG 3.45Å; L1046-S1048 VanDerWaalsContact C-N 3.32Å; L1046-S1048 PolarHBondContact O-N 3.05Å; S1048-D1050 VanDerWaalsContact C-N 3.34Å; S1048-D1050 PolarHBondContact O-N 3.4Å; S1048-L1052 VanDerWaalsContact O-CB 3.31Å; S1048-L1052 WeakPolarHBondContact O-CB 3.46Å; S1048-L1052 WeakPolarHBondContact O-CD1 3.37Å; S1048-L1052 VanDerWaalsContact O-CG 3.24Å; S1048-L1052 WeakPolarHBondContact O-CG 3.37Å; S1048-L1052 PolarHBondContact O-N 3.39Å; S1048-Y1067 WeakPolarHBondContact CB-OH 3.31Å; S1048-Y1067 PolarHBondContact OG-OH 3.32Å |
| 1049 | K | 88 | Confident | 84 | Confident | 31 Ų | 31 | 84.9 Ų | 84.9 | 14% | 0.135 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -57.7 | -44.6 | 172.9 | -91.2 | 163.6 | 165.5 | 169.4 | 0 | 111.5 | E1045 L1046 K1053 Y1067 W1070 | E1045-K1049 VanDerWaalsContact O-CB 3.29Å; E1045-K1049 WeakPolarHBondContact O-CB 3.23Å; E1045-K1049 WeakPolarHBondContact O-CG 3.49Å; E1045-K1049 PolarHBondContact O-N 3Å; L1046-K1049 WeakPolarHBondContact O-CB 3.33Å; L1046-K1049 PolarHBondContact O-N 3.36Å; K1049-K1053 VanDerWaalsContact O-CG 3.22Å; K1049-K1053 WeakPolarHBondContact O-CG 3.38Å; K1049-K1053 PolarHBondContact O-N 2.95Å; K1049-K1053 VanDerWaalsContact O-N 3.12Å; K1049-Y1067 HydrophobicContact CD-CD2 4.01Å; K1049-Y1067 HydrophobicContact CG-CD2 4.07Å; K1049-Y1067 HydrophobicContact CG-CE2 4.18Å; K1049-W1070 HydrophobicContact CB-CH2 4.21Å; K1049-W1070 HydrophobicContact CB-CZ2 4.5Å; K1049-W1070 HydrophobicContact CB-CZ3 4.23Å; K1049-W1070 HydrophobicContact CD-CD2 4.3Å; K1049-W1070 HydrophobicContact CD-CE3 4.44Å; K1049-W1070 VanDerWaalsContact CE-CG 3.5Å; K1049-W1070 HydrophobicContact CG-CD2 3.71Å; K1049-W1070 HydrophobicContact CG-CE3 3.5Å; K1049-W1070 VanDerWaalsContact CG-CE3 3.5Å; K1049-W1070 HydrophobicContact CG-CG 4.42Å; K1049-W1070 HydrophobicContact CG-CH2 3.97Å; K1049-W1070 HydrophobicContact CG-CZ2 4.16Å; K1049-W1070 HydrophobicContact CG-CZ3 3.64Å; K1049-W1070 WeakPolarHBondContact O-CH2 3.47Å |
| 1050 | D | 85.4 | Confident | 83.5 | Confident | 80 Ų | 80 | 84.3 Ų | 84.3 | 43% | 0.428 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -79.3 | -34.7 | -177.9 | -75.7 | -7 | 0 | 0 | 0 | 113.4 | L1046 E1047 S1048 K1053 R1054 | L1046-D1050 PolarHBondContact O-N 2.87Å; E1047-D1050 PolarHBondContact O-N 3.18Å; S1048-D1050 VanDerWaalsContact C-N 3.34Å; S1048-D1050 PolarHBondContact O-N 3.4Å; D1050-K1053 PolarHBondContact O-N 3.48Å; D1050-K1053 WeakPolarHBondContact OD1-CE 3.49Å; D1050-K1053 IonicContact OD1-NZ 2.61Å; D1050-K1053 PolarHBondContact OD1-NZ 2.92Å; D1050-R1054 VanDerWaalsContact O-CB 3.31Å; D1050-R1054 WeakPolarHBondContact O-CB 3.47Å; D1050-R1054 PolarHBondContact O-N 3.48Å |
| 1051 | L | 86.8 | Confident | 83.4 | Confident | 72 Ų | 72 | 79 Ų | 79 | 38% | 0.377 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -57.8 | -47.5 | 169.3 | 175.3 | 60.1 | 0 | 0 | 0 | 111 | E1047 R1054 L1055 | E1047-L1051 WeakPolarHBondContact O-CB 3.49Å; E1047-L1051 PolarHBondContact O-N 3.13Å; L1051-R1054 PolarHBondContact O-N 3.44Å; L1051-L1055 HydrophobicContact CD1-CD1 4Å; L1051-L1055 HydrophobicContact CD1-CG 4.22Å; L1051-L1055 HydrophobicContact CG-CD1 4.06Å; L1051-L1055 WeakPolarHBondContact O-CG 3.36Å; L1051-L1055 PolarHBondContact O-N 3.3Å |
| 1052 | L | 84.5 | Confident | 83.1 | Confident | 40 Ų | 40 | 78.6 Ų | 78.6 | 21% | 0.209 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66 | -44.8 | 179.6 | -74.3 | 169.8 | 0 | 0 | 0 | 112 | S1048 R1054 L1055 F1056 W1070 L1071 F1074 | S1048-L1052 VanDerWaalsContact O-CB 3.31Å; S1048-L1052 WeakPolarHBondContact O-CB 3.46Å; S1048-L1052 WeakPolarHBondContact O-CD1 3.37Å; S1048-L1052 VanDerWaalsContact O-CG 3.24Å; S1048-L1052 WeakPolarHBondContact O-CG 3.37Å; S1048-L1052 PolarHBondContact O-N 3.39Å; L1052-R1054 VanDerWaalsContact C-N 3.26Å; L1052-R1054 PolarHBondContact O-N 2.92Å; L1052-L1055 PolarHBondContact O-N 3.42Å; L1052-F1056 PolarHBondContact O-N 2.92Å; L1052-W1070 HydrophobicContact CB-CH2 4.14Å; L1052-W1070 HydrophobicContact CB-CZ3 4.29Å; L1052-W1070 HydrophobicContact CD1-CZ3 3.98Å; L1052-L1071 HydrophobicContact CD1-CD2 3.45Å; L1052-L1071 VanDerWaalsContact CD1-CD2 3.45Å; L1052-F1074 HydrophobicContact CB-CD1 4.3Å; L1052-F1074 HydrophobicContact CB-CE1 3.79Å; L1052-F1074 HydrophobicContact CB-CE2 4.17Å; L1052-F1074 HydrophobicContact CB-CZ 3.72Å; L1052-F1074 HydrophobicContact CD1-CD1 4.43Å; L1052-F1074 HydrophobicContact CD2-CD1 4.46Å; L1052-F1074 HydrophobicContact CD2-CE1 3.92Å; L1052-F1074 HydrophobicContact CG-CE1 4.3Å; L1052-F1074 VanDerWaalsContact O-CZ 3.28Å; L1052-F1074 WeakPolarHBondContact O-CZ 3.31Å |
| 1053 | K | 83.8 | Confident | 82.4 | Confident | 88 Ų | 88 | 78.8 Ų | 78.8 | 38% | 0.383 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -55.7 | -40.8 | 171.4 | -69.4 | 165.9 | -155.6 | 165.1 | 0 | 112.1 | K1049 D1050 F1056 P1057 W1070 | K1049-K1053 VanDerWaalsContact O-CG 3.22Å; K1049-K1053 WeakPolarHBondContact O-CG 3.38Å; K1049-K1053 PolarHBondContact O-N 2.95Å; K1049-K1053 VanDerWaalsContact O-N 3.12Å; D1050-K1053 PolarHBondContact O-N 3.48Å; D1050-K1053 WeakPolarHBondContact OD1-CE 3.49Å; D1050-K1053 IonicContact OD1-NZ 2.61Å; D1050-K1053 PolarHBondContact OD1-NZ 2.92Å; K1053-F1056 CarbonylContact O-C 3.41Å; K1053-F1056 VanDerWaalsContact O-C 3.3Å; K1053-P1057 WeakPolarHBondContact O-CA 3.47Å; K1053-W1070 HydrophobicContact CG-CH2 4.36Å; K1053-W1070 HydrophobicContact CG-CZ2 4.16Å |
| 1054 | R | 84 | Confident | 82 | Confident | 173 Ų | 173 | 82.9 Ų | 82.9 | 65% | 0.653 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -70.9 | -31.9 | 179.3 | -172.9 | 177.3 | 61.6 | 73.1 | -5.2 | 112.9 | D1050 L1051 L1052 | D1050-R1054 VanDerWaalsContact O-CB 3.31Å; D1050-R1054 WeakPolarHBondContact O-CB 3.47Å; D1050-R1054 PolarHBondContact O-N 3.48Å; L1051-R1054 PolarHBondContact O-N 3.44Å; L1052-R1054 VanDerWaalsContact C-N 3.26Å; L1052-R1054 PolarHBondContact O-N 2.92Å |
| 1055 | L | 80.3 | Confident | 81.8 | Confident | 96 Ų | 96 | 81.6 Ų | 81.6 | 50% | 0.503 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -77.3 | -31.2 | 176.2 | -71.2 | 171.9 | 0 | 0 | 0 | 112.7 | L1051 L1052 | L1051-L1055 HydrophobicContact CD1-CD1 4Å; L1051-L1055 HydrophobicContact CD1-CG 4.22Å; L1051-L1055 HydrophobicContact CG-CD1 4.06Å; L1051-L1055 WeakPolarHBondContact O-CG 3.36Å; L1051-L1055 PolarHBondContact O-N 3.3Å; L1052-L1055 PolarHBondContact O-N 3.42Å |
| 1056 | F | 78.8 | Confident | 81.7 | Confident | 66 Ų | 66 | 82.4 Ų | 82.4 | 29% | 0.289 | 45% | 0.446 | S | S | . | . | trans | -130.9 | 74.8 | 176.1 | -52.7 | -87.2 | 0 | 0 | 0 | 112 | L1052 K1053 T1058 V1059 F1074 A1078 V1082 | L1052-F1056 PolarHBondContact O-N 2.92Å; K1053-F1056 CarbonylContact O-C 3.41Å; K1053-F1056 VanDerWaalsContact O-C 3.3Å; F1056-T1058 PolarHBondContact O-N 3.37Å; F1056-T1058 VanDerWaalsContact O-N 3.08Å; F1056-V1059 HydrophobicContact CB-CB 4.04Å; F1056-V1059 HydrophobicContact CB-CG2 3.67Å; F1056-V1059 WeakPolarHBondContact O-CB 3.33Å; F1056-V1059 PolarHBondContact O-N 3.01Å; F1056-F1074 HydrophobicContact CB-CZ 3.93Å; F1056-F1074 AromaticContact CD2-CE1 3.84Å; F1056-F1074 HydrophobicContact CD2-CE1 3.84Å; F1056-F1074 AromaticContact CD2-CZ 3.78Å; F1056-F1074 HydrophobicContact CD2-CZ 3.78Å; F1056-F1074 HydrophobicContact CE2-CE1 4.49Å; F1056-F1074 HydrophobicContact CG-CZ 4.25Å; F1056-A1078 HydrophobicContact CG-CB 4.48Å; F1056-V1082 HydrophobicContact CD1-CG2 4.37Å; F1056-V1082 HydrophobicContact CE1-CG2 3.54Å; F1056-V1082 HydrophobicContact CZ-CG2 4.14Å | ||
| 1057 | P | 78.4 | Confident | 81.6 | Confident | 111 Ų | 111 | 79.5 Ų | 79.5 | 72% | 0.721 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.1 | -174.7 | -26.1 | 36.2 | 0 | 0 | 0 | 115.1 | K1053 V1059 | K1053-P1057 WeakPolarHBondContact O-CA 3.47Å; P1057-V1059 VanDerWaalsContact C-N 3.3Å |
| 1058 | T | 69.1 | Low | 81.5 | Confident | 122 Ų | 122 | 75.7 Ų | 75.7 | 75% | 0.748 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -10.7 | 174.5 | 20.8 | 0 | 0 | 0 | 0 | 114.1 | F1056 S1060 | F1056-T1058 PolarHBondContact O-N 3.37Å; F1056-T1058 VanDerWaalsContact O-N 3.08Å; T1058-S1060 PolarHBondContact O-N 3.43Å |
| 1059 | V | 78.1 | Confident | 81.6 | Confident | 9 Ų | 9 | 78.7 Ų | 78.7 | 6% | 0.055 | 43% | 0.428 | C | S | . | . | trans | -95.9 | 92.1 | -175 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | F1056 P1057 V1061 F1074 K1077 A1078 C1081 | F1056-V1059 HydrophobicContact CB-CB 4.04Å; F1056-V1059 HydrophobicContact CB-CG2 3.67Å; F1056-V1059 WeakPolarHBondContact O-CB 3.33Å; F1056-V1059 PolarHBondContact O-N 3.01Å; P1057-V1059 VanDerWaalsContact C-N 3.3Å; V1059-V1061 HydrophobicContact CG1-CG2 4.23Å; V1059-F1074 HydrophobicContact CB-CD2 4.39Å; V1059-F1074 HydrophobicContact CB-CE2 3.83Å; V1059-F1074 HydrophobicContact CB-CZ 4.15Å; V1059-F1074 HydrophobicContact CG1-CD2 3.59Å; V1059-F1074 HydrophobicContact CG1-CE2 3.53Å; V1059-F1074 HydrophobicContact CG1-CG 4.15Å; V1059-F1074 HydrophobicContact CG1-CZ 4.04Å; V1059-K1077 HydrophobicContact CG1-CB 3.63Å; V1059-A1078 HydrophobicContact CG2-CB 4.27Å; V1059-C1081 HydrophobicContact CG2-CB 4.4Å | ||
| 1060 | S | 77.9 | Confident | 81.8 | Confident | 94 Ų | 94 | 77.4 Ų | 77.4 | 66% | 0.657 | 42% | 0.422 | S | S | * | . | trans | -87.1 | 129.7 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 112.7 | T1058 K1077 | T1058-S1060 PolarHBondContact O-N 3.43Å; S1060-K1077 WeakPolarHBondContact O-CD 3.25Å; S1060-K1077 PolarHBondContact O-NZ 2.9Å | ||
| 1061 | V | 82.3 | Confident | 81.8 | Confident | 19 Ų | 19 | 76.2 Ų | 76.2 | 12% | 0.115 | 42% | 0.415 | C | S | . | . | trans | -137.3 | 135.6 | 179.3 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | V1059 S1063 L1065 W1070 F1074 K1077 | V1059-V1061 HydrophobicContact CG1-CG2 4.23Å; V1061-S1063 PolarHBondContact O-N 3.02Å; V1061-L1065 HydrophobicContact CG1-CD1 4.3Å; V1061-W1070 HydrophobicContact CG1-CG 4.2Å; V1061-F1074 HydrophobicContact CG2-CB 3.97Å; V1061-F1074 HydrophobicContact CG2-CD2 3.97Å; V1061-F1074 HydrophobicContact CG2-CG 4.44Å; V1061-K1077 HydrophobicContact CG2-CD 4.29Å | ||
| 1062 | P | 78.6 | Confident | 81.8 | Confident | 71 Ų | 71 | 80.9 Ų | 80.9 | 46% | 0.461 | 43% | 0.428 | S | S | . | . | trans | -54.8 | 131.8 | 179.1 | -26.1 | 35.3 | 0 | 0 | 0 | 113 | N1064 L1065 W1070 | P1062-N1064 VanDerWaalsContact C-N 3.33Å; P1062-N1064 VanDerWaalsContact CB-OD1 3.25Å; P1062-N1064 WeakPolarHBondContact CB-OD1 3.48Å; P1062-N1064 PolarHBondContact O-N 3.18Å; P1062-L1065 HydrophobicContact CB-CD1 4.47Å; P1062-W1070 VanDerWaalsContact O-CD1 3.25Å | ||
| 1063 | S | 74.5 | Confident | 81.7 | Confident | 108 Ų | 108 | 80.2 Ų | 80.2 | 76% | 0.755 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -11 | -173.4 | 45.6 | 0 | 0 | 0 | 0 | 114.8 | V1061 L1065 | V1061-S1063 PolarHBondContact O-N 3.02Å; S1063-L1065 VanDerWaalsContact C-N 3.32Å; S1063-L1065 PolarHBondContact O-N 3.1Å |
| 1064 | N | 78.5 | Confident | 81.9 | Confident | 138 Ų | 138 | 76.3 Ų | 76.3 | 74% | 0.738 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 4.2 | -178.2 | 65.7 | -48.4 | 0 | 0 | 0 | 114.6 | P1062 | P1062-N1064 VanDerWaalsContact C-N 3.33Å; P1062-N1064 VanDerWaalsContact CB-OD1 3.25Å; P1062-N1064 WeakPolarHBondContact CB-OD1 3.48Å; P1062-N1064 PolarHBondContact O-N 3.18Å |
| 1065 | L | 81.1 | Confident | 81.9 | Confident | 54 Ų | 54 | 72.5 Ų | 72.5 | 28% | 0.283 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -87.9 | 146.5 | 179.8 | -61.4 | 175.1 | 0 | 0 | 0 | 111.8 | V1061 P1062 S1063 E1069 W1070 | V1061-L1065 HydrophobicContact CG1-CD1 4.3Å; P1062-L1065 HydrophobicContact CB-CD1 4.47Å; S1063-L1065 VanDerWaalsContact C-N 3.32Å; S1063-L1065 PolarHBondContact O-N 3.1Å; L1065-E1069 HydrophobicContact CB-CB 4.21Å; L1065-W1070 HydrophobicContact CB-CB 4.12Å |
| 1066 | N | 85.1 | Confident | 82 | Confident | 78 Ų | 78 | 76.1 Ų | 76.1 | 42% | 0.417 | 42% | 0.415 | S | S | . | . | trans | -60.8 | 157.8 | 169.9 | 74.4 | 55.6 | 0 | 0 | 0 | 110.2 | S1068 E1069 W1070 | N1066-S1068 VanDerWaalsContact C-N 3.29Å; N1066-S1068 PolarHBondContact O-N 2.93Å; N1066-S1068 PolarHBondContact OD1-N 3.49Å; N1066-S1068 PolarHBondContact OD1-OG 3.02Å; N1066-E1069 PolarHBondContact ND2-OE1 2.98Å; N1066-E1069 PolarHBondContact ND2-OE2 3.44Å; N1066-E1069 PolarHBondContact O-N 2.86Å; N1066-E1069 PolarHBondContact OD1-N 3.23Å; N1066-W1070 VanDerWaalsContact O-CB 3.29Å; N1066-W1070 WeakPolarHBondContact O-CB 3.3Å; N1066-W1070 PolarHBondContact O-N 3.23Å | ||
| 1067 | Y | 85.7 | Confident | 82 | Confident | 47 Ų | 47 | 77.8 Ų | 77.8 | 18% | 0.184 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.6 | -37.1 | -170.8 | -179.8 | -111.6 | 0 | 0 | 0 | 113.7 | E1045 S1048 K1049 W1070 L1071 | E1045-Y1067 HydrophobicContact CB-CD1 4.25Å; E1045-Y1067 HydrophobicContact CB-CD2 3.62Å; E1045-Y1067 HydrophobicContact CB-CE1 4.47Å; E1045-Y1067 HydrophobicContact CB-CE2 3.91Å; E1045-Y1067 HydrophobicContact CB-CG 3.82Å; E1045-Y1067 HydrophobicContact CG-CD1 3.51Å; E1045-Y1067 HydrophobicContact CG-CD2 3.84Å; E1045-Y1067 HydrophobicContact CG-CE1 3.83Å; E1045-Y1067 HydrophobicContact CG-CE2 4.16Å; E1045-Y1067 HydrophobicContact CG-CG 3.51Å; E1045-Y1067 VanDerWaalsContact O-CE2 3.32Å; E1045-Y1067 WeakPolarHBondContact O-CE2 3.4Å; E1045-Y1067 VanDerWaalsContact OE1-CB 3.31Å; E1045-Y1067 WeakPolarHBondContact OE1-CB 3.17Å; E1045-Y1067 VanDerWaalsContact OE1-CD1 3.29Å; E1045-Y1067 WeakPolarHBondContact OE1-CD1 3.27Å; E1045-Y1067 WeakPolarHBondContact OE2-CB 3.47Å; S1048-Y1067 WeakPolarHBondContact CB-OH 3.31Å; S1048-Y1067 PolarHBondContact OG-OH 3.32Å; K1049-Y1067 HydrophobicContact CD-CD2 4.01Å; K1049-Y1067 HydrophobicContact CG-CD2 4.07Å; K1049-Y1067 HydrophobicContact CG-CE2 4.18Å; Y1067-W1070 PolarHBondContact O-N 2.87Å; Y1067-L1071 HydrophobicContact CD1-CD1 3.93Å; Y1067-L1071 HydrophobicContact CD1-CG 4.45Å; Y1067-L1071 HydrophobicContact CD2-CG 4.31Å; Y1067-L1071 HydrophobicContact CE1-CD1 3.41Å; Y1067-L1071 VanDerWaalsContact CE1-CD1 3.41Å; Y1067-L1071 HydrophobicContact CE1-CG 4.14Å; Y1067-L1071 HydrophobicContact CE2-CD1 4.12Å; Y1067-L1071 HydrophobicContact CE2-CD2 4.18Å; Y1067-L1071 HydrophobicContact CE2-CG 3.97Å; Y1067-L1071 HydrophobicContact CG-CD1 4.49Å; Y1067-L1071 WeakPolarHBondContact O-CB 3.39Å; Y1067-L1071 WeakPolarHBondContact O-CG 3.39Å; Y1067-L1071 PolarHBondContact O-N 2.89Å |
| 1068 | S | 85.9 | Confident | 81.9 | Confident | 62 Ų | 62 | 73 Ų | 73 | 43% | 0.434 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.6 | -36.4 | 179 | 82.7 | 0 | 0 | 0 | 0 | 113.5 | N1066 R1072 | N1066-S1068 VanDerWaalsContact C-N 3.29Å; N1066-S1068 PolarHBondContact O-N 2.93Å; N1066-S1068 PolarHBondContact OD1-N 3.49Å; N1066-S1068 PolarHBondContact OD1-OG 3.02Å; S1068-R1072 WeakPolarHBondContact O-CB 3.32Å; S1068-R1072 PolarHBondContact O-N 2.87Å |
| 1069 | E | 86.1 | Confident | 82.1 | Confident | 94 Ų | 94 | 73.6 Ų | 73.6 | 44% | 0.439 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -75.4 | -40.7 | 174.6 | -77.1 | 163.4 | -156.1 | 0 | 0 | 111.5 | L1065 N1066 R1072 G1073 | L1065-E1069 HydrophobicContact CB-CB 4.21Å; N1066-E1069 PolarHBondContact ND2-OE1 2.98Å; N1066-E1069 PolarHBondContact ND2-OE2 3.44Å; N1066-E1069 PolarHBondContact O-N 2.86Å; N1066-E1069 PolarHBondContact OD1-N 3.23Å; E1069-R1072 PolarHBondContact O-N 2.83Å; E1069-G1073 PolarHBondContact O-N 2.88Å |
| 1070 | W | 92.6 | Very high | 81.6 | Confident | 4 Ų | 4 | 76.8 Ų | 76.8 | 2% | 0.015 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 176.2 | -171.9 | 91.7 | 0 | 0 | 0 | 110.9 | K1049 L1052 K1053 V1061 P1062 L1065 N1066 Y1067 R1072 G1073 F1074 | K1049-W1070 HydrophobicContact CB-CH2 4.21Å; K1049-W1070 HydrophobicContact CB-CZ2 4.5Å; K1049-W1070 HydrophobicContact CB-CZ3 4.23Å; K1049-W1070 HydrophobicContact CD-CD2 4.3Å; K1049-W1070 HydrophobicContact CD-CE3 4.44Å; K1049-W1070 VanDerWaalsContact CE-CG 3.5Å; K1049-W1070 HydrophobicContact CG-CD2 3.71Å; K1049-W1070 HydrophobicContact CG-CE3 3.5Å; K1049-W1070 VanDerWaalsContact CG-CE3 3.5Å; K1049-W1070 HydrophobicContact CG-CG 4.42Å; K1049-W1070 HydrophobicContact CG-CH2 3.97Å; K1049-W1070 HydrophobicContact CG-CZ2 4.16Å; K1049-W1070 HydrophobicContact CG-CZ3 3.64Å; K1049-W1070 WeakPolarHBondContact O-CH2 3.47Å; L1052-W1070 HydrophobicContact CB-CH2 4.14Å; L1052-W1070 HydrophobicContact CB-CZ3 4.29Å; L1052-W1070 HydrophobicContact CD1-CZ3 3.98Å; K1053-W1070 HydrophobicContact CG-CH2 4.36Å; K1053-W1070 HydrophobicContact CG-CZ2 4.16Å; V1061-W1070 HydrophobicContact CG1-CG 4.2Å; P1062-W1070 VanDerWaalsContact O-CD1 3.25Å; L1065-W1070 HydrophobicContact CB-CB 4.12Å; N1066-W1070 VanDerWaalsContact O-CB 3.29Å; N1066-W1070 WeakPolarHBondContact O-CB 3.3Å; N1066-W1070 PolarHBondContact O-N 3.23Å; Y1067-W1070 PolarHBondContact O-N 2.87Å; W1070-R1072 PolarHBondContact O-N 3.39Å; W1070-G1073 PolarHBondContact O-N 2.86Å; W1070-F1074 HydrophobicContact CE3-CB 4.24Å; W1070-F1074 HydrophobicContact CH2-CB 4.27Å; W1070-F1074 AromaticContact CH2-CD2 3.48Å; W1070-F1074 HydrophobicContact CH2-CD2 3.48Å; W1070-F1074 VanDerWaalsContact CH2-CD2 3.48Å; W1070-F1074 HydrophobicContact CH2-CE2 4.02Å; W1070-F1074 AromaticContact CH2-CG 3.95Å; W1070-F1074 HydrophobicContact CH2-CG 3.95Å; W1070-F1074 AromaticContact CZ2-CD2 3.86Å; W1070-F1074 HydrophobicContact CZ2-CD2 3.86Å; W1070-F1074 HydrophobicContact CZ3-CB 4.03Å; W1070-F1074 HydrophobicContact CZ3-CD2 4.05Å; W1070-F1074 HydrophobicContact CZ3-CG 4.02Å; W1070-F1074 VanDerWaalsContact O-CB 3.25Å; W1070-F1074 WeakPolarHBondContact O-CB 3.23Å; W1070-F1074 PolarHBondContact O-N 3.07Å |
| 1071 | L | 86.8 | Confident | 81 | Confident | 55 Ų | 55 | 75 Ų | 75 | 29% | 0.288 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58 | -46.6 | 175.1 | -81.3 | -179.3 | 0 | 0 | 0 | 111.7 | L1052 Y1067 G1073 F1074 E1075 | L1052-L1071 HydrophobicContact CD1-CD2 3.45Å; L1052-L1071 VanDerWaalsContact CD1-CD2 3.45Å; Y1067-L1071 HydrophobicContact CD1-CD1 3.93Å; Y1067-L1071 HydrophobicContact CD1-CG 4.45Å; Y1067-L1071 HydrophobicContact CD2-CG 4.31Å; Y1067-L1071 HydrophobicContact CE1-CD1 3.41Å; Y1067-L1071 VanDerWaalsContact CE1-CD1 3.41Å; Y1067-L1071 HydrophobicContact CE1-CG 4.14Å; Y1067-L1071 HydrophobicContact CE2-CD1 4.12Å; Y1067-L1071 HydrophobicContact CE2-CD2 4.18Å; Y1067-L1071 HydrophobicContact CE2-CG 3.97Å; Y1067-L1071 HydrophobicContact CG-CD1 4.49Å; Y1067-L1071 WeakPolarHBondContact O-CB 3.39Å; Y1067-L1071 WeakPolarHBondContact O-CG 3.39Å; Y1067-L1071 PolarHBondContact O-N 2.89Å; L1071-G1073 PolarHBondContact O-N 3.28Å; L1071-F1074 WeakPolarHBondContact O-CB 3.27Å; L1071-F1074 PolarHBondContact O-N 3.48Å; L1071-E1075 VanDerWaalsContact O-CB 3.29Å; L1071-E1075 WeakPolarHBondContact O-CB 3.43Å; L1071-E1075 PolarHBondContact O-N 2.93Å |
| 1072 | R | 85 | Confident | 79.9 | Confident | 169 Ų | 169 | 78 Ų | 78 | 64% | 0.638 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.7 | -38.2 | -179 | -158.6 | -176 | -47.6 | -156 | 5.6 | 112.3 | S1068 E1069 W1070 K1076 | S1068-R1072 WeakPolarHBondContact O-CB 3.32Å; S1068-R1072 PolarHBondContact O-N 2.87Å; E1069-R1072 PolarHBondContact O-N 2.83Å; W1070-R1072 PolarHBondContact O-N 3.39Å; R1072-K1076 WeakPolarHBondContact O-CB 3.46Å; R1072-K1076 PolarHBondContact O-N 3.24Å |
| 1073 | G | 83.3 | Confident | 78.7 | Confident | 26 Ų | 26 | 79 Ų | 79 | 27% | 0.268 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.4 | -36.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1069 W1070 L1071 K1077 | E1069-G1073 PolarHBondContact O-N 2.88Å; W1070-G1073 PolarHBondContact O-N 2.86Å; L1071-G1073 PolarHBondContact O-N 3.28Å; G1073-K1077 PolarHBondContact O-N 3.35Å |
| 1074 | F | 87.1 | Confident | 77.9 | Confident | 7 Ų | 7 | 76.9 Ų | 76.9 | 3% | 0.031 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -68.3 | -52.6 | 174.9 | -172.8 | -85.3 | 0 | 0 | 0 | 111.5 | L1052 F1056 V1059 V1061 W1070 L1071 K1076 K1077 A1078 | L1052-F1074 HydrophobicContact CB-CD1 4.3Å; L1052-F1074 HydrophobicContact CB-CE1 3.79Å; L1052-F1074 HydrophobicContact CB-CE2 4.17Å; L1052-F1074 HydrophobicContact CB-CZ 3.72Å; L1052-F1074 HydrophobicContact CD1-CD1 4.43Å; L1052-F1074 HydrophobicContact CD2-CD1 4.46Å; L1052-F1074 HydrophobicContact CD2-CE1 3.92Å; L1052-F1074 HydrophobicContact CG-CE1 4.3Å; L1052-F1074 VanDerWaalsContact O-CZ 3.28Å; L1052-F1074 WeakPolarHBondContact O-CZ 3.31Å; F1056-F1074 HydrophobicContact CB-CZ 3.93Å; F1056-F1074 AromaticContact CD2-CE1 3.84Å; F1056-F1074 HydrophobicContact CD2-CE1 3.84Å; F1056-F1074 AromaticContact CD2-CZ 3.78Å; F1056-F1074 HydrophobicContact CD2-CZ 3.78Å; F1056-F1074 HydrophobicContact CE2-CE1 4.49Å; F1056-F1074 HydrophobicContact CG-CZ 4.25Å; V1059-F1074 HydrophobicContact CB-CD2 4.39Å; V1059-F1074 HydrophobicContact CB-CE2 3.83Å; V1059-F1074 HydrophobicContact CB-CZ 4.15Å; V1059-F1074 HydrophobicContact CG1-CD2 3.59Å; V1059-F1074 HydrophobicContact CG1-CE2 3.53Å; V1059-F1074 HydrophobicContact CG1-CG 4.15Å; V1059-F1074 HydrophobicContact CG1-CZ 4.04Å; V1061-F1074 HydrophobicContact CG2-CB 3.97Å; V1061-F1074 HydrophobicContact CG2-CD2 3.97Å; V1061-F1074 HydrophobicContact CG2-CG 4.44Å; W1070-F1074 HydrophobicContact CE3-CB 4.24Å; W1070-F1074 HydrophobicContact CH2-CB 4.27Å; W1070-F1074 AromaticContact CH2-CD2 3.48Å; W1070-F1074 HydrophobicContact CH2-CD2 3.48Å; W1070-F1074 VanDerWaalsContact CH2-CD2 3.48Å; W1070-F1074 HydrophobicContact CH2-CE2 4.02Å; W1070-F1074 AromaticContact CH2-CG 3.95Å; W1070-F1074 HydrophobicContact CH2-CG 3.95Å; W1070-F1074 AromaticContact CZ2-CD2 3.86Å; W1070-F1074 HydrophobicContact CZ2-CD2 3.86Å; W1070-F1074 HydrophobicContact CZ3-CB 4.03Å; W1070-F1074 HydrophobicContact CZ3-CD2 4.05Å; W1070-F1074 HydrophobicContact CZ3-CG 4.02Å; W1070-F1074 VanDerWaalsContact O-CB 3.25Å; W1070-F1074 WeakPolarHBondContact O-CB 3.23Å; W1070-F1074 PolarHBondContact O-N 3.07Å; L1071-F1074 WeakPolarHBondContact O-CB 3.27Å; L1071-F1074 PolarHBondContact O-N 3.48Å; F1074-K1076 VanDerWaalsContact C-N 3.32Å; F1074-K1076 PolarHBondContact O-N 2.91Å; F1074-K1077 CarbonylContact O-C 3.53Å; F1074-K1077 PolarHBondContact O-N 3.49Å; F1074-A1078 HydrophobicContact CD1-CB 4.17Å; F1074-A1078 HydrophobicContact CE1-CB 3.89Å; F1074-A1078 WeakPolarHBondContact O-CB 3.36Å; F1074-A1078 PolarHBondContact O-N 3.25Å |
| 1075 | E | 83.9 | Confident | 76.4 | Confident | 93 Ų | 93 | 76.2 Ų | 76.2 | 44% | 0.435 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -52.2 | -48.2 | 177.6 | -172.6 | -156.4 | 163.4 | 0 | 0 | 111.5 | L1071 K1077 A1078 K1079 | L1071-E1075 VanDerWaalsContact O-CB 3.29Å; L1071-E1075 WeakPolarHBondContact O-CB 3.43Å; L1071-E1075 PolarHBondContact O-N 2.93Å; E1075-K1077 VanDerWaalsContact C-N 3.27Å; E1075-K1077 PolarHBondContact O-N 3.32Å; E1075-A1078 PolarHBondContact O-N 2.94Å; E1075-K1079 HydrophobicContact CG-CD 4.17Å; E1075-K1079 WeakPolarHBondContact O-CB 3.22Å; E1075-K1079 WeakPolarHBondContact O-CG 3.47Å; E1075-K1079 PolarHBondContact O-N 3.32Å; E1075-K1079 VanDerWaalsContact OE1-CE 3.29Å; E1075-K1079 WeakPolarHBondContact OE1-CE 3.45Å; E1075-K1079 IonicContact OE1-NZ 2.65Å; E1075-K1079 PolarHBondContact OE1-NZ 2.84Å |
| 1076 | K | 83.3 | Confident | 74.6 | Confident | 172 Ų | 172 | 79.5 Ų | 79.5 | 75% | 0.748 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.1 | -33.2 | 179.4 | -172 | 173.3 | -178 | 177.3 | 0 | 113 | R1072 F1074 | R1072-K1076 WeakPolarHBondContact O-CB 3.46Å; R1072-K1076 PolarHBondContact O-N 3.24Å; F1074-K1076 VanDerWaalsContact C-N 3.32Å; F1074-K1076 PolarHBondContact O-N 2.91Å |
| 1077 | K | 79.8 | Confident | 72.9 | Confident | 101 Ų | 101 | 81.7 Ų | 81.7 | 44% | 0.439 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -84.7 | -40.2 | 176.7 | -69.5 | -172.4 | -174.4 | -168.9 | 0 | 112.6 | V1059 S1060 V1061 G1073 F1074 E1075 K1079 A1080 C1081 | V1059-K1077 HydrophobicContact CG1-CB 3.63Å; S1060-K1077 WeakPolarHBondContact O-CD 3.25Å; S1060-K1077 PolarHBondContact O-NZ 2.9Å; V1061-K1077 HydrophobicContact CG2-CD 4.29Å; G1073-K1077 PolarHBondContact O-N 3.35Å; F1074-K1077 CarbonylContact O-C 3.53Å; F1074-K1077 PolarHBondContact O-N 3.49Å; E1075-K1077 VanDerWaalsContact C-N 3.27Å; E1075-K1077 PolarHBondContact O-N 3.32Å; K1077-K1079 VanDerWaalsContact C-N 3.34Å; K1077-K1079 PolarHBondContact O-N 3.45Å; K1077-A1080 WeakPolarHBondContact O-CB 3.19Å; K1077-A1080 PolarHBondContact O-N 2.85Å; K1077-C1081 PolarHBondContact O-N 2.8Å |
| 1078 | A | 76.3 | Confident | 71.3 | Confident | 9 Ų | 9 | 82.4 Ų | 82.4 | 7% | 0.074 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1056 V1059 F1074 E1075 A1080 C1081 V1082 | F1056-A1078 HydrophobicContact CG-CB 4.48Å; V1059-A1078 HydrophobicContact CG2-CB 4.27Å; F1074-A1078 HydrophobicContact CD1-CB 4.17Å; F1074-A1078 HydrophobicContact CE1-CB 3.89Å; F1074-A1078 WeakPolarHBondContact O-CB 3.36Å; F1074-A1078 PolarHBondContact O-N 3.25Å; E1075-A1078 PolarHBondContact O-N 2.94Å; A1078-A1080 PolarHBondContact O-N 3.43Å; A1078-C1081 PolarHBondContact O-N 2.83Å; A1078-V1082 WeakPolarHBondContact O-CG2 3.44Å; A1078-V1082 PolarHBondContact O-N 3.29Å |
| 1079 | K | 72.8 | Confident | 69.6 | Low | 136 Ų | 136 | 85.1 Ų | 85.1 | 59% | 0.591 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.4 | -32.1 | 172.2 | -78.4 | 177.5 | 169.2 | 175.6 | 0 | 113.2 | E1075 K1077 | E1075-K1079 HydrophobicContact CG-CD 4.17Å; E1075-K1079 WeakPolarHBondContact O-CB 3.22Å; E1075-K1079 WeakPolarHBondContact O-CG 3.47Å; E1075-K1079 PolarHBondContact O-N 3.32Å; E1075-K1079 VanDerWaalsContact OE1-CE 3.29Å; E1075-K1079 WeakPolarHBondContact OE1-CE 3.45Å; E1075-K1079 IonicContact OE1-NZ 2.65Å; E1075-K1079 PolarHBondContact OE1-NZ 2.84Å; K1077-K1079 VanDerWaalsContact C-N 3.34Å; K1077-K1079 PolarHBondContact O-N 3.45Å |
| 1080 | A | 68.3 | Low | 68.3 | Low | 76 Ų | 76 | 83.3 Ų | 83.3 | 63% | 0.628 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -74.7 | -29.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | K1077 A1078 | K1077-A1080 WeakPolarHBondContact O-CB 3.19Å; K1077-A1080 PolarHBondContact O-N 2.85Å; A1078-A1080 PolarHBondContact O-N 3.43Å |
| 1081 | C | 63.6 | Low | 66.8 | Low | 56 Ų | 56 | 86.4 Ų | 86.4 | 38% | 0.378 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -79.5 | -39.7 | 175.1 | -64.3 | 0 | 0 | 0 | 0 | 113.1 | V1059 K1077 A1078 A1083 G1084 | V1059-C1081 HydrophobicContact CG2-CB 4.4Å; K1077-C1081 PolarHBondContact O-N 2.8Å; A1078-C1081 PolarHBondContact O-N 2.83Å; C1081-A1083 PolarHBondContact O-N 3.36Å; C1081-G1084 PolarHBondContact O-N 2.89Å |
| 1082 | V | 60.4 | Low | 65.7 | Low | 81 Ų | 81 | 88.9 Ų | 88.9 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.1 | -23.6 | -178 | 170.2 | 0 | 0 | 0 | 0 | 112.5 | F1056 A1078 G1084 | F1056-V1082 HydrophobicContact CD1-CG2 4.37Å; F1056-V1082 HydrophobicContact CE1-CG2 3.54Å; F1056-V1082 HydrophobicContact CZ-CG2 4.14Å; A1078-V1082 WeakPolarHBondContact O-CG2 3.44Å; A1078-V1082 PolarHBondContact O-N 3.29Å; V1082-G1084 PolarHBondContact O-N 3.41Å |
| 1083 | A | 53.8 | Low | 64.9 | Low | 92 Ų | 92 | 85.4 Ų | 85.4 | 76% | 0.76 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -7.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115 | C1081 | C1081-A1083 PolarHBondContact O-N 3.36Š|
| 1084 | G | 55.8 | Low | 64.4 | Low | 65 Ų | 65 | 89.8 Ų | 89.8 | 67% | 0.67 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -14.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | C1081 V1082 | C1081-G1084 PolarHBondContact O-N 2.89Å; V1082-G1084 PolarHBondContact O-N 3.41Å |
| 1085 | T | 48.3 | Very low | 63.4 | Low | 123 Ų | 123 | 95 Ų | 95 | 76% | 0.755 | 56% | 0.555 | S | S | * | * | trans | -146 | 126.9 | -170 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1086 | S | 42.9 | Very low | 62.8 | Low | 123 Ų | 123 | 96.1 Ų | 96.1 | 86% | 0.86 | 56% | 0.56 | S | S | * | * | trans | -125.5 | 123.9 | 167 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1087 | D | 49.1 | Very low | 62.5 | Low | 125 Ų | 125 | 96.4 Ų | 96.4 | 67% | 0.668 | 56% | 0.556 | S | S | * | * | trans | -131.7 | 118.5 | 174.7 | -172.7 | -3.4 | 0 | 0 | 0 | 108.9 | ||||
| 1088 | A | 51.7 | Low | 62.3 | Low | 62 Ų | 62 | 97.5 Ų | 97.5 | 51% | 0.512 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -81.7 | -18.2 | -159.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1089 | E | 51.6 | Low | 62.5 | Low | 118 Ų | 118 | 103 Ų | 103 | 55% | 0.551 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -81.6 | -28.4 | -173.8 | -143.5 | 59.7 | -150.3 | 0 | 0 | 112.5 | V1091 K1092 | E1089-V1091 VanDerWaalsContact C-N 3.32Å; E1089-K1092 IonicContact OE1-NZ 2.63Å; E1089-K1092 PolarHBondContact OE1-NZ 3.45Å; E1089-K1092 IonicContact OE2-NZ 2.61Å; E1089-K1092 PolarHBondContact OE2-NZ 2.78Å |
| 1090 | A | 58.5 | Low | 62.8 | Low | 57 Ų | 57 | 101.3 Ų | 101.3 | 47% | 0.471 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.5 | -32.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1092 V1093 L1094 | A1090-K1092 PolarHBondContact O-N 2.83Å; A1090-V1093 PolarHBondContact O-N 2.69Å; A1090-L1094 WeakPolarHBondContact O-CG 3.37Å; A1090-L1094 PolarHBondContact O-N 3.25Å |
| 1091 | V | 60.5 | Low | 63.2 | Low | 68 Ų | 68 | 100 Ų | 100 | 41% | 0.412 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.4 | -47.9 | -178.7 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | E1089 V1093 L1094 E1095 | E1089-V1091 VanDerWaalsContact C-N 3.32Å; V1091-V1093 VanDerWaalsContact C-N 3.3Å; V1091-V1093 PolarHBondContact O-N 3.44Å; V1091-L1094 CarbonylContact O-C 3.6Å; V1091-L1094 WeakPolarHBondContact O-CA 3.46Å; V1091-L1094 WeakPolarHBondContact O-CB 3.43Å; V1091-L1094 PolarHBondContact O-N 2.93Å; V1091-E1095 HydrophobicContact CG1-CG 4.2Å; V1091-E1095 WeakPolarHBondContact O-CG 3.43Å; V1091-E1095 PolarHBondContact O-N 3.48Å |
| 1092 | K | 64.4 | Low | 63.8 | Low | 108 Ų | 108 | 100 Ų | 100 | 47% | 0.47 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60 | -36.4 | -178.2 | -58 | 171.8 | -165.7 | 163.9 | 0 | 113.5 | E1089 A1090 E1095 H1096 | E1089-K1092 IonicContact OE1-NZ 2.63Å; E1089-K1092 PolarHBondContact OE1-NZ 3.45Å; E1089-K1092 IonicContact OE2-NZ 2.61Å; E1089-K1092 PolarHBondContact OE2-NZ 2.78Å; A1090-K1092 PolarHBondContact O-N 2.83Å; K1092-E1095 WeakPolarHBondContact CA-OE2 3.32Å; K1092-H1096 PolarHBondContact O-N 3.14Å; K1092-H1096 VanDerWaalsContact O-N 3.11Å |
| 1093 | V | 68.7 | Low | 65.1 | Low | 95 Ų | 95 | 101 Ų | 101 | 58% | 0.576 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -72.5 | -35.1 | 177.8 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | A1090 V1091 R1097 | A1090-V1093 PolarHBondContact O-N 2.69Å; V1091-V1093 VanDerWaalsContact C-N 3.3Å; V1091-V1093 PolarHBondContact O-N 3.44Å; V1093-R1097 PolarHBondContact O-N 3.14Å |
| 1094 | L | 71.1 | Confident | 66.6 | Low | 119 Ų | 119 | 102.2 Ų | 102.2 | 62% | 0.623 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71 | -38.5 | 172.9 | -67.9 | 170.3 | 0 | 0 | 0 | 111.8 | A1090 V1091 R1097 L1098 | A1090-L1094 WeakPolarHBondContact O-CG 3.37Å; A1090-L1094 PolarHBondContact O-N 3.25Å; V1091-L1094 CarbonylContact O-C 3.6Å; V1091-L1094 WeakPolarHBondContact O-CA 3.46Å; V1091-L1094 WeakPolarHBondContact O-CB 3.43Å; V1091-L1094 PolarHBondContact O-N 2.93Å; L1094-R1097 PolarHBondContact O-N 3.34Å; L1094-L1098 WeakPolarHBondContact O-CB 3.37Å; L1094-L1098 PolarHBondContact O-N 2.87Å |
| 1095 | E | 67.3 | Low | 68 | Low | 115 Ų | 115 | 104.7 Ų | 104.7 | 54% | 0.537 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60.4 | -44.1 | 173.9 | -73 | 174.3 | 142.3 | 0 | 0 | 112 | V1091 K1092 L1098 K1099 | V1091-E1095 HydrophobicContact CG1-CG 4.2Å; V1091-E1095 WeakPolarHBondContact O-CG 3.43Å; V1091-E1095 PolarHBondContact O-N 3.48Å; K1092-E1095 WeakPolarHBondContact CA-OE2 3.32Å; E1095-L1098 PolarHBondContact O-N 2.82Å; E1095-K1099 PolarHBondContact O-N 3.06Å |
| 1096 | H | 72 | Confident | 70 | Confident | 117 Ų | 117 | 103 Ų | 103 | 54% | 0.542 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.9 | -48.7 | 175.6 | -168.4 | -74.1 | 0 | 0 | 0 | 111.6 | K1092 L1098 K1099 E1100 | K1092-H1096 PolarHBondContact O-N 3.14Å; K1092-H1096 VanDerWaalsContact O-N 3.11Å; H1096-L1098 VanDerWaalsContact C-N 3.34Å; H1096-L1098 PolarHBondContact O-N 3Å; H1096-K1099 WeakPolarHBondContact O-CB 3.43Å; H1096-K1099 PolarHBondContact O-N 3.36Å; H1096-K1099 VanDerWaalsContact O-N 3.15Å; H1096-E1100 IonicContact CE1-OE1 2.65Å; H1096-E1100 PolarHBondContact CE1-OE1 3.5Å; H1096-E1100 IonicContact CE1-OE2 2.67Å; H1096-E1100 PolarHBondContact CE1-OE2 3.48Å; H1096-E1100 IonicContact ND1-OE1 3.46Å; H1096-E1100 IonicContact ND1-OE2 3.9Å; H1096-E1100 PolarHBondContact ND1-OE2 3.45Å; H1096-E1100 PolarHBondContact O-N 3.1Å |
| 1097 | R | 76.3 | Confident | 72.3 | Confident | 179 Ų | 179 | 102.8 Ų | 102.8 | 68% | 0.675 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.3 | -34 | 178.2 | -82.8 | -173.6 | 157 | -143.2 | -7.2 | 113.3 | V1093 L1094 K1099 A1101 | V1093-R1097 PolarHBondContact O-N 3.14Å; L1094-R1097 PolarHBondContact O-N 3.34Å; R1097-K1099 VanDerWaalsContact C-N 3.3Å; R1097-A1101 VanDerWaalsContact O-CB 3.22Å; R1097-A1101 WeakPolarHBondContact O-CB 3.25Å; R1097-A1101 PolarHBondContact O-N 3.03Å |
| 1098 | L | 75.4 | Confident | 74.3 | Confident | 124 Ų | 124 | 101.3 Ų | 101.3 | 65% | 0.649 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.7 | -37.6 | 173.4 | -178.2 | 63.3 | 0 | 0 | 0 | 110.6 | L1094 E1095 H1096 S1102 | L1094-L1098 WeakPolarHBondContact O-CB 3.37Å; L1094-L1098 PolarHBondContact O-N 2.87Å; E1095-L1098 PolarHBondContact O-N 2.82Å; H1096-L1098 VanDerWaalsContact C-N 3.34Å; H1096-L1098 PolarHBondContact O-N 3Å; L1098-S1102 WeakPolarHBondContact O-CB 3.48Å; L1098-S1102 PolarHBondContact O-N 3.34Å; L1098-S1102 PolarHBondContact O-OG 2.96Å |
| 1099 | K | 80.6 | Confident | 76.1 | Confident | 125 Ų | 125 | 102.5 Ų | 102.5 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.9 | -49.1 | 175.1 | -162.4 | -179.4 | -174.3 | -104.7 | 0 | 112 | E1095 H1096 R1097 A1101 S1102 E1103 | E1095-K1099 PolarHBondContact O-N 3.06Å; H1096-K1099 WeakPolarHBondContact O-CB 3.43Å; H1096-K1099 PolarHBondContact O-N 3.36Å; H1096-K1099 VanDerWaalsContact O-N 3.15Å; R1097-K1099 VanDerWaalsContact C-N 3.3Å; K1099-A1101 VanDerWaalsContact C-N 3.27Å; K1099-A1101 PolarHBondContact O-N 3.49Å; K1099-S1102 WeakPolarHBondContact CA-OG 3.47Å; K1099-S1102 PolarHBondContact O-N 3.13Å; K1099-S1102 VanDerWaalsContact O-N 3.08Å; K1099-S1102 PolarHBondContact O-OG 3.21Å; K1099-E1103 VanDerWaalsContact CE-OE1 3.29Å; K1099-E1103 WeakPolarHBondContact CE-OE1 3.35Å; K1099-E1103 IonicContact NZ-OE1 2.71Å; K1099-E1103 PolarHBondContact NZ-OE1 2.98Å; K1099-E1103 WeakPolarHBondContact O-CG 3.5Å; K1099-E1103 PolarHBondContact O-N 3.49Å |
| 1100 | E | 79.3 | Confident | 78 | Confident | 100 Ų | 100 | 102.8 Ų | 102.8 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.6 | -41.9 | 174.4 | -69.5 | 170.3 | 123.3 | 0 | 0 | 111.4 | H1096 M1104 | H1096-E1100 IonicContact CE1-OE1 2.65Å; H1096-E1100 PolarHBondContact CE1-OE1 3.5Å; H1096-E1100 IonicContact CE1-OE2 2.67Å; H1096-E1100 PolarHBondContact CE1-OE2 3.48Å; H1096-E1100 IonicContact ND1-OE1 3.46Å; H1096-E1100 IonicContact ND1-OE2 3.9Å; H1096-E1100 PolarHBondContact ND1-OE2 3.45Å; H1096-E1100 PolarHBondContact O-N 3.1Å; E1100-M1104 WeakPolarHBondContact O-CB 3.41Å; E1100-M1104 PolarHBondContact O-N 3.34Å |
| 1101 | A | 76.3 | Confident | 79.4 | Confident | 48 Ų | 48 | 104.3 Ų | 104.3 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.3 | -37.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1097 K1099 H1105 | R1097-A1101 VanDerWaalsContact O-CB 3.22Å; R1097-A1101 WeakPolarHBondContact O-CB 3.25Å; R1097-A1101 PolarHBondContact O-N 3.03Å; K1099-A1101 VanDerWaalsContact C-N 3.27Å; K1099-A1101 PolarHBondContact O-N 3.49Å; A1101-H1105 VanDerWaalsContact O-CB 3.31Å; A1101-H1105 WeakPolarHBondContact O-CB 3.43Å; A1101-H1105 PolarHBondContact O-N 3.17Å |
| 1102 | S | 77.1 | Confident | 80.9 | Confident | 57 Ų | 57 | 104.1 Ų | 104.1 | 40% | 0.399 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.6 | -37.1 | 176.3 | 69.2 | 0 | 0 | 0 | 0 | 112.9 | L1098 K1099 H1105 T1106 | L1098-S1102 WeakPolarHBondContact O-CB 3.48Å; L1098-S1102 PolarHBondContact O-N 3.34Å; L1098-S1102 PolarHBondContact O-OG 2.96Å; K1099-S1102 WeakPolarHBondContact CA-OG 3.47Å; K1099-S1102 PolarHBondContact O-N 3.13Å; K1099-S1102 VanDerWaalsContact O-N 3.08Å; K1099-S1102 PolarHBondContact O-OG 3.21Å; S1102-H1105 PolarHBondContact O-N 2.98Å; S1102-T1106 WeakPolarHBondContact O-CG2 3.47Å; S1102-T1106 PolarHBondContact O-N 2.83Å; S1102-T1106 PolarHBondContact O-OG1 3.4Å |
| 1103 | E | 86.7 | Confident | 82.3 | Confident | 100 Ų | 100 | 102.6 Ų | 102.6 | 47% | 0.467 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.9 | -37.8 | 175.4 | -71.5 | 174.4 | -172.4 | 0 | 0 | 110.8 | K1099 T1106 L1107 | K1099-E1103 VanDerWaalsContact CE-OE1 3.29Å; K1099-E1103 WeakPolarHBondContact CE-OE1 3.35Å; K1099-E1103 IonicContact NZ-OE1 2.71Å; K1099-E1103 PolarHBondContact NZ-OE1 2.98Å; K1099-E1103 WeakPolarHBondContact O-CG 3.5Å; K1099-E1103 PolarHBondContact O-N 3.49Å; E1103-T1106 PolarHBondContact O-OG1 3.04Å; E1103-L1107 PolarHBondContact O-N 3.16Å |
| 1104 | M | 85 | Confident | 83.4 | Confident | 119 Ų | 119 | 105.2 Ų | 105.2 | 59% | 0.586 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.4 | -37 | 171.4 | -170.9 | 172.9 | 65.7 | 0 | 0 | 112.4 | E1100 L1107 L1108 | E1100-M1104 WeakPolarHBondContact O-CB 3.41Å; E1100-M1104 PolarHBondContact O-N 3.34Å; M1104-L1107 PolarHBondContact O-N 3.36Å; M1104-L1108 HydrophobicContact CG-CD1 4.28Å; M1104-L1108 PolarHBondContact O-N 3.34Å |
| 1105 | H | 86 | Confident | 84.6 | Confident | 117 Ų | 117 | 106 Ų | 106 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 175.2 | -173.6 | -47.4 | 0 | 0 | 0 | 111.9 | A1101 S1102 L1107 L1108 Q1109 | A1101-H1105 VanDerWaalsContact O-CB 3.31Å; A1101-H1105 WeakPolarHBondContact O-CB 3.43Å; A1101-H1105 PolarHBondContact O-N 3.17Å; S1102-H1105 PolarHBondContact O-N 2.98Å; H1105-L1107 VanDerWaalsContact C-N 3.33Å; H1105-L1108 PolarHBondContact O-N 2.94Å; H1105-Q1109 PolarHBondContact CE1-OE1 2.57Å; H1105-Q1109 VanDerWaalsContact O-CB 3.31Å; H1105-Q1109 WeakPolarHBondContact O-CB 3.44Å; H1105-Q1109 PolarHBondContact O-N 3.12Å |
| 1106 | T | 90.9 | Very high | 86 | Confident | 87 Ų | 87 | 105.9 Ų | 105.9 | 53% | 0.534 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.3 | -33.2 | 177.1 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | S1102 E1103 Q1109 L1110 | S1102-T1106 WeakPolarHBondContact O-CG2 3.47Å; S1102-T1106 PolarHBondContact O-N 2.83Å; S1102-T1106 PolarHBondContact O-OG1 3.4Å; E1103-T1106 PolarHBondContact O-OG1 3.04Å; T1106-Q1109 PolarHBondContact O-N 2.88Å; T1106-L1110 PolarHBondContact O-N 3Å |
| 1107 | L | 89.4 | Confident | 87 | Confident | 119 Ų | 119 | 104 Ų | 104 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.6 | -45.6 | 173.4 | -169.6 | 67.5 | 0 | 0 | 0 | 112.1 | E1103 M1104 H1105 Q1109 L1110 E1111 | E1103-L1107 PolarHBondContact O-N 3.16Å; M1104-L1107 PolarHBondContact O-N 3.36Å; H1105-L1107 VanDerWaalsContact C-N 3.33Å; L1107-Q1109 VanDerWaalsContact C-N 3.32Å; L1107-Q1109 PolarHBondContact O-N 2.88Å; L1107-L1110 WeakPolarHBondContact O-CB 3.18Å; L1107-L1110 PolarHBondContact O-N 2.92Å; L1107-E1111 PolarHBondContact O-N 3.11Å |
| 1108 | L | 91.5 | Very high | 88 | Confident | 93 Ų | 93 | 99 Ų | 99 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 173.9 | -83.2 | 161.7 | 0 | 0 | 0 | 112.2 | M1104 H1105 E1111 C1112 | M1104-L1108 HydrophobicContact CG-CD1 4.28Å; M1104-L1108 PolarHBondContact O-N 3.34Å; H1105-L1108 PolarHBondContact O-N 2.94Å; L1108-E1111 PolarHBondContact O-N 2.69Å; L1108-C1112 WeakPolarHBondContact O-CB 3.24Å; L1108-C1112 PolarHBondContact O-N 3.29Å; L1108-C1112 PolarHBondContact O-SG 3.33Å |
| 1109 | Q | 89.6 | Confident | 88.8 | Confident | 87 Ų | 87 | 98.5 Ų | 98.5 | 41% | 0.407 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 172.9 | -168.3 | 79.6 | 40.7 | 0 | 0 | 110.6 | H1105 T1106 L1107 E1111 C1112 E1113 | H1105-Q1109 PolarHBondContact CE1-OE1 2.57Å; H1105-Q1109 VanDerWaalsContact O-CB 3.31Å; H1105-Q1109 WeakPolarHBondContact O-CB 3.44Å; H1105-Q1109 PolarHBondContact O-N 3.12Å; T1106-Q1109 PolarHBondContact O-N 2.88Å; L1107-Q1109 VanDerWaalsContact C-N 3.32Å; L1107-Q1109 PolarHBondContact O-N 2.88Å; Q1109-E1111 VanDerWaalsContact C-N 3.33Å; Q1109-E1111 PolarHBondContact O-N 2.88Å; Q1109-C1112 WeakPolarHBondContact O-CB 3.49Å; Q1109-C1112 PolarHBondContact O-N 3.41Å; Q1109-E1113 PolarHBondContact NE2-OE1 2.97Å; Q1109-E1113 WeakPolarHBondContact O-CG 3.29Å; Q1109-E1113 PolarHBondContact O-N 3Å |
| 1110 | L | 92.4 | Very high | 89.4 | Confident | 124 Ų | 124 | 95.3 Ų | 95.3 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.4 | -40.1 | 176.5 | -89.8 | 160.3 | 0 | 0 | 0 | 112.8 | T1106 L1107 K1114 | T1106-L1110 PolarHBondContact O-N 3Å; L1107-L1110 WeakPolarHBondContact O-CB 3.18Å; L1107-L1110 PolarHBondContact O-N 2.92Å; L1110-K1114 WeakPolarHBondContact O-CB 3.47Å; L1110-K1114 PolarHBondContact O-N 3.24Å |
| 1111 | E | 87.8 | Confident | 89.9 | Confident | 90 Ų | 90 | 96.6 Ų | 96.6 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.1 | -42 | 175.3 | -145.5 | -169.7 | 150.4 | 0 | 0 | 111.5 | L1107 L1108 Q1109 K1114 Y1115 | L1107-E1111 PolarHBondContact O-N 3.11Å; L1108-E1111 PolarHBondContact O-N 2.69Å; Q1109-E1111 VanDerWaalsContact C-N 3.33Å; Q1109-E1111 PolarHBondContact O-N 2.88Å; E1111-K1114 WeakPolarHBondContact O-CB 3.34Å; E1111-K1114 PolarHBondContact O-N 3.39Å; E1111-Y1115 HydrophobicContact CB-CE2 4.37Å; E1111-Y1115 HydrophobicContact CG-CD2 4.26Å; E1111-Y1115 HydrophobicContact CG-CE2 3.58Å; E1111-Y1115 WeakPolarHBondContact O-CD2 3.36Å; E1111-Y1115 PolarHBondContact O-N 3.42Å; E1111-Y1115 WeakPolarHBondContact OE1-CE2 3.47Å; E1111-Y1115 VanDerWaalsContact OE1-CZ 3.29Å; E1111-Y1115 PolarHBondContact OE1-OH 2.93Å |
| 1112 | C | 92.1 | Very high | 90.8 | Very high | 63 Ų | 63 | 97.4 Ų | 97.4 | 43% | 0.426 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 174.2 | -73.4 | 0 | 0 | 0 | 0 | 113 | L1108 Q1109 K1114 Y1115 K1116 | L1108-C1112 WeakPolarHBondContact O-CB 3.24Å; L1108-C1112 PolarHBondContact O-N 3.29Å; L1108-C1112 PolarHBondContact O-SG 3.33Å; Q1109-C1112 WeakPolarHBondContact O-CB 3.49Å; Q1109-C1112 PolarHBondContact O-N 3.41Å; C1112-K1114 VanDerWaalsContact C-N 3.3Å; C1112-K1114 PolarHBondContact O-N 2.89Å; C1112-Y1115 PolarHBondContact O-N 3.16Å; C1112-K1116 WeakPolarHBondContact O-CG 3.2Å; C1112-K1116 PolarHBondContact O-N 3.43Å |
| 1113 | E | 92.3 | Very high | 91.6 | Very high | 77 Ų | 77 | 100 Ų | 100 | 36% | 0.36 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.2 | -35.8 | 174.6 | -59.9 | -42.3 | 133.1 | 0 | 0 | 111.5 | Q1109 K1116 S1117 | Q1109-E1113 PolarHBondContact NE2-OE1 2.97Å; Q1109-E1113 WeakPolarHBondContact O-CG 3.29Å; Q1109-E1113 PolarHBondContact O-N 3Å; E1113-K1116 PolarHBondContact O-N 3.45Å; E1113-K1116 IonicContact OE1-NZ 2.62Å; E1113-K1116 PolarHBondContact OE1-NZ 2.72Å; E1113-K1116 WeakPolarHBondContact OE2-CD 3.29Å; E1113-K1116 IonicContact OE2-NZ 2.7Å; E1113-K1116 PolarHBondContact OE2-NZ 2.93Å; E1113-S1117 WeakPolarHBondContact O-CB 3.17Å; E1113-S1117 PolarHBondContact O-N 3.26Å |
| 1114 | K | 92.6 | Very high | 92.1 | Very high | 149 Ų | 149 | 96.3 Ų | 96.3 | 65% | 0.648 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.4 | -44.2 | 173.3 | -171.2 | -179.1 | 178.9 | -175.3 | 0 | 112.1 | L1110 E1111 C1112 S1117 V1118 | L1110-K1114 WeakPolarHBondContact O-CB 3.47Å; L1110-K1114 PolarHBondContact O-N 3.24Å; E1111-K1114 WeakPolarHBondContact O-CB 3.34Å; E1111-K1114 PolarHBondContact O-N 3.39Å; C1112-K1114 VanDerWaalsContact C-N 3.3Å; C1112-K1114 PolarHBondContact O-N 2.89Å; K1114-S1117 PolarHBondContact O-N 3.31Å; K1114-V1118 WeakPolarHBondContact O-CG2 3.19Å; K1114-V1118 PolarHBondContact O-N 3Å |
| 1115 | Y | 95.6 | Very high | 92.5 | Very high | 135 Ų | 135 | 95.3 Ų | 95.3 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 175 | -70.5 | -59.1 | 0 | 0 | 0 | 112.2 | E1111 C1112 S1117 V1118 L1119 | E1111-Y1115 HydrophobicContact CB-CE2 4.37Å; E1111-Y1115 HydrophobicContact CG-CD2 4.26Å; E1111-Y1115 HydrophobicContact CG-CE2 3.58Å; E1111-Y1115 WeakPolarHBondContact O-CD2 3.36Å; E1111-Y1115 PolarHBondContact O-N 3.42Å; E1111-Y1115 WeakPolarHBondContact OE1-CE2 3.47Å; E1111-Y1115 VanDerWaalsContact OE1-CZ 3.29Å; E1111-Y1115 PolarHBondContact OE1-OH 2.93Å; C1112-Y1115 PolarHBondContact O-N 3.16Å; Y1115-S1117 VanDerWaalsContact C-N 3.35Å; Y1115-S1117 PolarHBondContact O-N 3.3Å; Y1115-V1118 PolarHBondContact O-N 3.23Å; Y1115-L1119 WeakPolarHBondContact O-CB 3.42Å; Y1115-L1119 VanDerWaalsContact O-CG 3.28Å; Y1115-L1119 WeakPolarHBondContact O-CG 3.48Å; Y1115-L1119 PolarHBondContact O-N 3.42Å |
| 1116 | K | 96.4 | Very high | 92.9 | Very high | 114 Ų | 114 | 95 Ų | 95 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 172 | -72.3 | 169.9 | -177.3 | 171.7 | 0 | 111.9 | C1112 E1113 V1118 L1119 A1120 | C1112-K1116 WeakPolarHBondContact O-CG 3.2Å; C1112-K1116 PolarHBondContact O-N 3.43Å; E1113-K1116 PolarHBondContact O-N 3.45Å; E1113-K1116 IonicContact OE1-NZ 2.62Å; E1113-K1116 PolarHBondContact OE1-NZ 2.72Å; E1113-K1116 WeakPolarHBondContact OE2-CD 3.29Å; E1113-K1116 IonicContact OE2-NZ 2.7Å; E1113-K1116 PolarHBondContact OE2-NZ 2.93Å; K1116-V1118 PolarHBondContact O-N 3.47Å; K1116-L1119 PolarHBondContact O-N 3.45Å; K1116-A1120 WeakPolarHBondContact O-CB 3.49Å; K1116-A1120 PolarHBondContact O-N 3.47Å |
| 1117 | S | 94.7 | Very high | 93.1 | Very high | 78 Ų | 78 | 94.4 Ų | 94.4 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 178.5 | -170.2 | 0 | 0 | 0 | 0 | 111.9 | E1113 K1114 Y1115 E1121 | E1113-S1117 WeakPolarHBondContact O-CB 3.17Å; E1113-S1117 PolarHBondContact O-N 3.26Å; K1114-S1117 PolarHBondContact O-N 3.31Å; Y1115-S1117 VanDerWaalsContact C-N 3.35Å; Y1115-S1117 PolarHBondContact O-N 3.3Å; S1117-E1121 WeakPolarHBondContact O-CB 3.45Å; S1117-E1121 PolarHBondContact O-N 2.79Å |
| 1118 | V | 95.7 | Very high | 93.4 | Very high | 73 Ų | 73 | 95.8 Ų | 95.8 | 44% | 0.442 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.2 | -40.4 | 176.4 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | K1114 Y1115 K1116 E1121 T1122 | K1114-V1118 WeakPolarHBondContact O-CG2 3.19Å; K1114-V1118 PolarHBondContact O-N 3Å; Y1115-V1118 PolarHBondContact O-N 3.23Å; K1116-V1118 PolarHBondContact O-N 3.47Å; V1118-E1121 PolarHBondContact O-N 2.75Å; V1118-T1122 WeakPolarHBondContact O-CG2 3.5Å; V1118-T1122 PolarHBondContact O-N 3.49Å; V1118-T1122 PolarHBondContact O-OG1 2.82Å |
| 1119 | L | 92.5 | Very high | 93.5 | Very high | 113 Ų | 113 | 96.5 Ų | 96.5 | 59% | 0.592 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61 | -48.9 | 175.3 | -76.2 | 167.8 | 0 | 0 | 0 | 111.3 | Y1115 K1116 E1121 T1122 E1123 | Y1115-L1119 WeakPolarHBondContact O-CB 3.42Å; Y1115-L1119 VanDerWaalsContact O-CG 3.28Å; Y1115-L1119 WeakPolarHBondContact O-CG 3.48Å; Y1115-L1119 PolarHBondContact O-N 3.42Å; K1116-L1119 PolarHBondContact O-N 3.45Å; L1119-E1121 VanDerWaalsContact C-N 3.32Å; L1119-E1121 PolarHBondContact O-N 2.73Å; L1119-T1122 WeakPolarHBondContact CA-OG1 3.22Å; L1119-T1122 PolarHBondContact O-N 2.89Å; L1119-T1122 PolarHBondContact O-OG1 2.71Å; L1119-E1123 WeakPolarHBondContact O-CB 3.34Å; L1119-E1123 PolarHBondContact O-N 3.36Å |
| 1120 | A | 92.9 | Very high | 93.8 | Very high | 58 Ų | 58 | 97.7 Ų | 97.7 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -36.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1116 G1124 | K1116-A1120 WeakPolarHBondContact O-CB 3.49Å; K1116-A1120 PolarHBondContact O-N 3.47Å; A1120-G1124 PolarHBondContact O-N 2.92Å |
| 1121 | E | 91.3 | Very high | 93.9 | Very high | 128 Ų | 128 | 96.6 Ų | 96.6 | 60% | 0.598 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.2 | -46.2 | 172.7 | -174.3 | 174 | -162.5 | 0 | 0 | 111.5 | S1117 V1118 L1119 E1123 G1124 I1125 | S1117-E1121 WeakPolarHBondContact O-CB 3.45Å; S1117-E1121 PolarHBondContact O-N 2.79Å; V1118-E1121 PolarHBondContact O-N 2.75Å; L1119-E1121 VanDerWaalsContact C-N 3.32Å; L1119-E1121 PolarHBondContact O-N 2.73Å; E1121-E1123 VanDerWaalsContact C-N 3.34Å; E1121-E1123 PolarHBondContact O-N 2.62Å; E1121-G1124 PolarHBondContact O-N 2.85Å; E1121-I1125 HydrophobicContact CG-CD1 4.34Å; E1121-I1125 WeakPolarHBondContact O-CG1 3.39Å; E1121-I1125 PolarHBondContact O-N 3.2Å |
| 1122 | T | 94.7 | Very high | 94 | Very high | 64 Ų | 64 | 95.6 Ų | 95.6 | 39% | 0.393 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 175.9 | 56 | 0 | 0 | 0 | 0 | 112.9 | V1118 L1119 I1125 L1126 | V1118-T1122 WeakPolarHBondContact O-CG2 3.5Å; V1118-T1122 PolarHBondContact O-N 3.49Å; V1118-T1122 PolarHBondContact O-OG1 2.82Å; L1119-T1122 WeakPolarHBondContact CA-OG1 3.22Å; L1119-T1122 PolarHBondContact O-N 2.89Å; L1119-T1122 PolarHBondContact O-OG1 2.71Å; T1122-I1125 PolarHBondContact O-N 3.05Å; T1122-L1126 WeakPolarHBondContact O-CG 3.45Å; T1122-L1126 PolarHBondContact O-N 3.36Å |
| 1123 | E | 94.1 | Very high | 94 | Very high | 112 Ų | 112 | 96 Ų | 96 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 173.2 | -170.7 | -178.2 | 161.7 | 0 | 0 | 110.7 | L1119 E1121 I1125 L1126 Q1127 | L1119-E1123 WeakPolarHBondContact O-CB 3.34Å; L1119-E1123 PolarHBondContact O-N 3.36Å; E1121-E1123 VanDerWaalsContact C-N 3.34Å; E1121-E1123 PolarHBondContact O-N 2.62Å; E1123-I1125 VanDerWaalsContact C-N 3.26Å; E1123-I1125 PolarHBondContact O-N 3.38Å; E1123-L1126 PolarHBondContact O-N 3.28Å; E1123-L1126 VanDerWaalsContact O-N 3.12Å; E1123-Q1127 HydrophobicContact CG-CG 4.45Å; E1123-Q1127 WeakPolarHBondContact O-CG 3.41Å; E1123-Q1127 PolarHBondContact O-N 3.22Å; E1123-Q1127 PolarHBondContact OE1-NE2 3.09Å |
| 1124 | G | 95.6 | Very high | 94.2 | Very high | 23 Ų | 23 | 96.7 Ų | 96.7 | 24% | 0.237 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -60.5 | -33.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1120 E1121 K1128 | A1120-G1124 PolarHBondContact O-N 2.92Å; E1121-G1124 PolarHBondContact O-N 2.85Å; G1124-K1128 WeakPolarHBondContact O-CB 3.3Å; G1124-K1128 WeakPolarHBondContact O-CD 3.46Å; G1124-K1128 VanDerWaalsContact O-CG 3.23Å; G1124-K1128 WeakPolarHBondContact O-CG 3.28Å; G1124-K1128 PolarHBondContact O-N 3.44Å |
| 1125 | I | 94.8 | Very high | 94.3 | Very high | 98 Ų | 98 | 95.6 Ų | 95.6 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.6 | -46 | 171.6 | -68.5 | 165.2 | 0 | 0 | 0 | 110.8 | E1121 T1122 E1123 K1128 L1129 | E1121-I1125 HydrophobicContact CG-CD1 4.34Å; E1121-I1125 WeakPolarHBondContact O-CG1 3.39Å; E1121-I1125 PolarHBondContact O-N 3.2Å; T1122-I1125 PolarHBondContact O-N 3.05Å; E1123-I1125 VanDerWaalsContact C-N 3.26Å; E1123-I1125 PolarHBondContact O-N 3.38Å; I1125-K1128 WeakPolarHBondContact O-CB 3.34Å; I1125-K1128 PolarHBondContact O-N 2.9Å; I1125-L1129 PolarHBondContact O-N 2.72Å |
| 1126 | L | 94.5 | Very high | 94 | Very high | 111 Ų | 111 | 92.7 Ų | 92.7 | 58% | 0.581 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62 | -43.8 | 177.9 | -74.1 | 168.7 | 0 | 0 | 0 | 112 | T1122 E1123 K1128 L1129 Q1130 | T1122-L1126 WeakPolarHBondContact O-CG 3.45Å; T1122-L1126 PolarHBondContact O-N 3.36Å; E1123-L1126 PolarHBondContact O-N 3.28Å; E1123-L1126 VanDerWaalsContact O-N 3.12Å; L1126-K1128 VanDerWaalsContact C-N 3.32Å; L1126-K1128 PolarHBondContact O-N 3.31Å; L1126-L1129 PolarHBondContact O-N 2.8Å; L1126-Q1130 WeakPolarHBondContact O-CB 3.5Å; L1126-Q1130 PolarHBondContact O-N 3.42Å |
| 1127 | Q | 94.8 | Very high | 93.7 | Very high | 73 Ų | 73 | 93.3 Ų | 93.3 | 34% | 0.341 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.4 | -35.2 | 174.3 | -67.5 | -179.8 | 11.9 | 0 | 0 | 112.2 | E1123 R1131 | E1123-Q1127 HydrophobicContact CG-CG 4.45Å; E1123-Q1127 WeakPolarHBondContact O-CG 3.41Å; E1123-Q1127 PolarHBondContact O-N 3.22Å; E1123-Q1127 PolarHBondContact OE1-NE2 3.09Å; Q1127-R1131 WeakPolarHBondContact O-CG 3.37Å; Q1127-R1131 PolarHBondContact O-N 2.89Å; Q1127-R1131 PolarHBondContact O-NH1 3.13Å |
| 1128 | K | 94.6 | Very high | 93.6 | Very high | 148 Ų | 148 | 92.5 Ų | 92.5 | 64% | 0.643 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.1 | -41.7 | 174.2 | -78 | 168.6 | -176.5 | 174.1 | 0 | 111.3 | G1124 I1125 L1126 S1132 | G1124-K1128 WeakPolarHBondContact O-CB 3.3Å; G1124-K1128 WeakPolarHBondContact O-CD 3.46Å; G1124-K1128 VanDerWaalsContact O-CG 3.23Å; G1124-K1128 WeakPolarHBondContact O-CG 3.28Å; G1124-K1128 PolarHBondContact O-N 3.44Å; I1125-K1128 WeakPolarHBondContact O-CB 3.34Å; I1125-K1128 PolarHBondContact O-N 2.9Å; L1126-K1128 VanDerWaalsContact C-N 3.32Å; L1126-K1128 PolarHBondContact O-N 3.31Å; K1128-S1132 WeakPolarHBondContact O-CB 3.46Å; K1128-S1132 PolarHBondContact O-N 2.85Å |
| 1129 | L | 95.2 | Very high | 93.6 | Very high | 109 Ų | 109 | 93.9 Ų | 93.9 | 57% | 0.571 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64 | -45.5 | 175 | -175.4 | 63.5 | 0 | 0 | 0 | 111.3 | I1125 L1126 S1132 V1133 | I1125-L1129 PolarHBondContact O-N 2.72Å; L1126-L1129 PolarHBondContact O-N 2.8Å; L1129-S1132 WeakPolarHBondContact O-CB 3.35Å; L1129-S1132 PolarHBondContact O-N 3.35Å; L1129-V1133 WeakPolarHBondContact O-CG2 3.41Å; L1129-V1133 PolarHBondContact O-N 2.97Å |
| 1130 | Q | 94.4 | Very high | 93.5 | Very high | 112 Ų | 112 | 95.7 Ų | 95.7 | 52% | 0.523 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.5 | -54.9 | 176.2 | 177.7 | 177.3 | -13.9 | 0 | 0 | 111.5 | L1126 S1132 V1133 E1134 | L1126-Q1130 WeakPolarHBondContact O-CB 3.5Å; L1126-Q1130 PolarHBondContact O-N 3.42Å; Q1130-S1132 PolarHBondContact O-N 3.49Å; Q1130-V1133 PolarHBondContact O-N 2.91Å; Q1130-E1134 HydrophobicContact CG-CG 4.28Å; Q1130-E1134 VanDerWaalsContact CG-OE1 3.26Å; Q1130-E1134 WeakPolarHBondContact CG-OE1 3.47Å; Q1130-E1134 PolarHBondContact NE2-OE1 3.14Å; Q1130-E1134 WeakPolarHBondContact O-CG 3.48Å; Q1130-E1134 PolarHBondContact O-N 3.46Å |
| 1131 | R | 94.8 | Very high | 93.6 | Very high | 101 Ų | 101 | 100 Ų | 100 | 38% | 0.381 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.8 | -36.2 | 176.4 | -69.3 | -178.2 | -155.3 | 91.8 | -3.2 | 112.2 | Q1127 Q1135 | Q1127-R1131 WeakPolarHBondContact O-CG 3.37Å; Q1127-R1131 PolarHBondContact O-N 2.89Å; Q1127-R1131 PolarHBondContact O-NH1 3.13Å; R1131-Q1135 VanDerWaalsContact O-CB 3.22Å; R1131-Q1135 WeakPolarHBondContact O-CB 3.47Å; R1131-Q1135 PolarHBondContact O-N 3.24Å |
| 1132 | S | 91.2 | Very high | 93.7 | Very high | 69 Ų | 69 | 98 Ų | 98 | 48% | 0.483 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.4 | -34.6 | 176.6 | -170.2 | 0 | 0 | 0 | 0 | 112.9 | K1128 L1129 Q1130 E1136 | K1128-S1132 WeakPolarHBondContact O-CB 3.46Å; K1128-S1132 PolarHBondContact O-N 2.85Å; L1129-S1132 WeakPolarHBondContact O-CB 3.35Å; L1129-S1132 PolarHBondContact O-N 3.35Å; Q1130-S1132 PolarHBondContact O-N 3.49Å; S1132-E1136 WeakPolarHBondContact O-CB 3.49Å; S1132-E1136 PolarHBondContact O-N 2.92Å |
| 1133 | V | 92 | Very high | 93.6 | Very high | 70 Ų | 70 | 100.9 Ų | 100.9 | 42% | 0.424 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.8 | -49.6 | 174.5 | 172.1 | 0 | 0 | 0 | 0 | 110.1 | L1129 Q1130 Q1135 E1136 E1137 | L1129-V1133 WeakPolarHBondContact O-CG2 3.41Å; L1129-V1133 PolarHBondContact O-N 2.97Å; Q1130-V1133 PolarHBondContact O-N 2.91Å; V1133-Q1135 VanDerWaalsContact C-N 3.29Å; V1133-Q1135 PolarHBondContact O-N 3.27Å; V1133-E1136 PolarHBondContact O-N 3.49Å; V1133-E1137 HydrophobicContact CG1-CG 4.23Å; V1133-E1137 WeakPolarHBondContact O-CG 3.3Å; V1133-E1137 PolarHBondContact O-N 2.95Å |
| 1134 | E | 95.6 | Very high | 93.2 | Very high | 92 Ų | 92 | 97.9 Ų | 97.9 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.7 | -41.4 | 177.5 | -69 | 166.9 | 166.7 | 0 | 0 | 112.1 | Q1130 S1138 | Q1130-E1134 HydrophobicContact CG-CG 4.28Å; Q1130-E1134 VanDerWaalsContact CG-OE1 3.26Å; Q1130-E1134 WeakPolarHBondContact CG-OE1 3.47Å; Q1130-E1134 PolarHBondContact NE2-OE1 3.14Å; Q1130-E1134 WeakPolarHBondContact O-CG 3.48Å; Q1130-E1134 PolarHBondContact O-N 3.46Å; E1134-S1138 VanDerWaalsContact O-CB 3.29Å; E1134-S1138 WeakPolarHBondContact O-CB 3.39Å; E1134-S1138 PolarHBondContact O-N 2.88Å |
| 1135 | Q | 94.7 | Very high | 93 | Very high | 126 Ų | 126 | 100.5 Ų | 100.5 | 59% | 0.589 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.1 | -34.8 | 176.2 | -165.9 | -175.6 | 38.9 | 0 | 0 | 112.2 | R1131 V1133 K1139 | R1131-Q1135 VanDerWaalsContact O-CB 3.22Å; R1131-Q1135 WeakPolarHBondContact O-CB 3.47Å; R1131-Q1135 PolarHBondContact O-N 3.24Å; V1133-Q1135 VanDerWaalsContact C-N 3.29Å; V1133-Q1135 PolarHBondContact O-N 3.27Å; Q1135-K1139 WeakPolarHBondContact O-CG 3.23Å; Q1135-K1139 PolarHBondContact O-N 3.07Å |
| 1136 | E | 89.1 | Confident | 92.9 | Very high | 75 Ų | 75 | 100.6 Ų | 100.6 | 35% | 0.35 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74.2 | -45.4 | 177.5 | -163 | 58.5 | -148.6 | 0 | 0 | 111 | S1132 V1133 S1138 K1139 W1140 | S1132-E1136 WeakPolarHBondContact O-CB 3.49Å; S1132-E1136 PolarHBondContact O-N 2.92Å; V1133-E1136 PolarHBondContact O-N 3.49Å; E1136-S1138 PolarHBondContact O-N 3.39Å; E1136-K1139 WeakPolarHBondContact O-CB 3.39Å; E1136-K1139 PolarHBondContact O-N 2.92Å; E1136-K1139 WeakPolarHBondContact OE2-CD 3.48Å; E1136-K1139 WeakPolarHBondContact OE2-CE 3.33Å; E1136-K1139 IonicContact OE2-NZ 2.86Å; E1136-K1139 PolarHBondContact OE2-NZ 3.08Å; E1136-W1140 PolarHBondContact O-N 3.22Å; E1136-W1140 PolarHBondContact OE1-NE1 2.75Å |
| 1137 | E | 90.4 | Very high | 92.4 | Very high | 126 Ų | 126 | 98.4 Ų | 98.4 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -54.2 | -41.5 | 170.7 | -72.8 | -175.4 | 174.3 | 0 | 0 | 111.7 | V1133 W1140 K1141 | V1133-E1137 HydrophobicContact CG1-CG 4.23Å; V1133-E1137 WeakPolarHBondContact O-CG 3.3Å; V1133-E1137 PolarHBondContact O-N 2.95Å; E1137-W1140 PolarHBondContact O-N 2.68Å; E1137-K1141 VanDerWaalsContact O-CB 3.27Å; E1137-K1141 WeakPolarHBondContact O-CB 3.24Å; E1137-K1141 PolarHBondContact O-N 2.78Å |
| 1138 | S | 92.8 | Very high | 92.2 | Very high | 62 Ų | 62 | 100 Ų | 100 | 43% | 0.434 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61 | -43.9 | 174.8 | -172.3 | 0 | 0 | 0 | 0 | 112.5 | E1134 E1136 K1141 I1142 | E1134-S1138 VanDerWaalsContact O-CB 3.29Å; E1134-S1138 WeakPolarHBondContact O-CB 3.39Å; E1134-S1138 PolarHBondContact O-N 2.88Å; E1136-S1138 PolarHBondContact O-N 3.39Å; S1138-K1141 PolarHBondContact O-N 2.8Å; S1138-I1142 VanDerWaalsContact O-CG1 3.32Å; S1138-I1142 WeakPolarHBondContact O-CG1 3.18Å; S1138-I1142 PolarHBondContact O-N 2.71Å |
| 1139 | K | 95.1 | Very high | 92.3 | Very high | 101 Ų | 101 | 99.7 Ų | 99.7 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 173.7 | -65.4 | 167.6 | -151.7 | 164.1 | 0 | 111.7 | Q1135 E1136 K1141 I1142 K1143 | Q1135-K1139 WeakPolarHBondContact O-CG 3.23Å; Q1135-K1139 PolarHBondContact O-N 3.07Å; E1136-K1139 WeakPolarHBondContact O-CB 3.39Å; E1136-K1139 PolarHBondContact O-N 2.92Å; E1136-K1139 WeakPolarHBondContact OE2-CD 3.48Å; E1136-K1139 WeakPolarHBondContact OE2-CE 3.33Å; E1136-K1139 IonicContact OE2-NZ 2.86Å; E1136-K1139 PolarHBondContact OE2-NZ 3.08Å; K1139-K1141 VanDerWaalsContact C-N 3.31Å; K1139-K1141 PolarHBondContact O-N 3.43Å; K1139-I1142 PolarHBondContact O-N 3.3Å; K1139-K1143 WeakPolarHBondContact O-CB 3.33Å; K1139-K1143 PolarHBondContact O-N 3Å |
| 1140 | W | 90.9 | Very high | 92.2 | Very high | 152 Ų | 152 | 100.8 Ų | 100.8 | 58% | 0.576 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.6 | -34.9 | 179.6 | -72.6 | 106.4 | 0 | 0 | 0 | 112.2 | E1136 E1137 K1143 A1144 | E1136-W1140 PolarHBondContact O-N 3.22Å; E1136-W1140 PolarHBondContact OE1-NE1 2.75Å; E1137-W1140 PolarHBondContact O-N 2.68Å; W1140-K1143 HydrophobicContact CE3-CD 4.24Å; W1140-K1143 HydrophobicContact CZ3-CD 4.06Å; W1140-K1143 PolarHBondContact O-N 3.07Å; W1140-A1144 VanDerWaalsContact O-CB 3.32Å; W1140-A1144 WeakPolarHBondContact O-CB 3.5Å; W1140-A1144 PolarHBondContact O-N 3.45Å |
| 1141 | K | 95.1 | Very high | 92 | Very high | 147 Ų | 147 | 99.3 Ų | 99.3 | 64% | 0.639 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.3 | -48 | 173.1 | -172.5 | 176 | -178.5 | 180 | 0 | 112.1 | E1137 S1138 K1139 K1143 A1144 D1145 | E1137-K1141 VanDerWaalsContact O-CB 3.27Å; E1137-K1141 WeakPolarHBondContact O-CB 3.24Å; E1137-K1141 PolarHBondContact O-N 2.78Å; S1138-K1141 PolarHBondContact O-N 2.8Å; K1139-K1141 VanDerWaalsContact C-N 3.31Å; K1139-K1141 PolarHBondContact O-N 3.43Å; K1141-K1143 VanDerWaalsContact C-N 3.32Å; K1141-K1143 PolarHBondContact O-N 3.19Å; K1141-A1144 WeakPolarHBondContact O-CB 3.4Å; K1141-A1144 PolarHBondContact O-N 2.99Å; K1141-D1145 PolarHBondContact O-N 3.16Å |
| 1142 | I | 94.3 | Very high | 92 | Very high | 88 Ų | 88 | 99.9 Ų | 99.9 | 45% | 0.451 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.4 | -46.7 | 174.8 | -69.4 | 162.5 | 0 | 0 | 0 | 110.5 | S1138 K1139 A1144 D1145 E1146 | S1138-I1142 VanDerWaalsContact O-CG1 3.32Å; S1138-I1142 WeakPolarHBondContact O-CG1 3.18Å; S1138-I1142 PolarHBondContact O-N 2.71Å; K1139-I1142 PolarHBondContact O-N 3.3Å; I1142-A1144 VanDerWaalsContact C-N 3.34Å; I1142-A1144 PolarHBondContact O-N 2.83Å; I1142-D1145 PolarHBondContact O-N 3.16Å; I1142-E1146 WeakPolarHBondContact O-CG 3.37Å; I1142-E1146 PolarHBondContact O-N 3.43Å |
| 1143 | K | 92.6 | Very high | 92.2 | Very high | 123 Ų | 123 | 100.4 Ų | 100.4 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 178.9 | -165.7 | 173.3 | -175.9 | 178.1 | 0 | 112.6 | K1139 W1140 K1141 S1147 | K1139-K1143 WeakPolarHBondContact O-CB 3.33Å; K1139-K1143 PolarHBondContact O-N 3Å; W1140-K1143 HydrophobicContact CE3-CD 4.24Å; W1140-K1143 HydrophobicContact CZ3-CD 4.06Å; W1140-K1143 PolarHBondContact O-N 3.07Å; K1141-K1143 VanDerWaalsContact C-N 3.32Å; K1141-K1143 PolarHBondContact O-N 3.19Å; K1143-S1147 PolarHBondContact O-N 3.34Å; K1143-S1147 PolarHBondContact O-OG 3.16Å |
| 1144 | A | 84.1 | Confident | 92.2 | Very high | 49 Ų | 49 | 101.9 Ų | 101.9 | 41% | 0.405 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -49.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | W1140 K1141 I1142 E1146 S1147 Q1148 | W1140-A1144 VanDerWaalsContact O-CB 3.32Å; W1140-A1144 WeakPolarHBondContact O-CB 3.5Å; W1140-A1144 PolarHBondContact O-N 3.45Å; K1141-A1144 WeakPolarHBondContact O-CB 3.4Å; K1141-A1144 PolarHBondContact O-N 2.99Å; I1142-A1144 VanDerWaalsContact C-N 3.34Å; I1142-A1144 PolarHBondContact O-N 2.83Å; A1144-E1146 VanDerWaalsContact C-N 3.27Å; A1144-E1146 PolarHBondContact O-N 3.36Å; A1144-S1147 PolarHBondContact O-N 3.11Å; A1144-S1147 PolarHBondContact O-OG 3.13Å; A1144-Q1148 WeakPolarHBondContact O-CB 3.31Å; A1144-Q1148 PolarHBondContact O-N 3.46Å |
| 1145 | D | 92.2 | Very high | 92.1 | Very high | 78 Ų | 78 | 104.6 Ų | 104.6 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.9 | -33.5 | 177 | -75.6 | -36.4 | 0 | 0 | 0 | 112.7 | K1141 I1142 R1149 | K1141-D1145 PolarHBondContact O-N 3.16Å; I1142-D1145 PolarHBondContact O-N 3.16Å; D1145-R1149 WeakPolarHBondContact O-CB 3.36Å; D1145-R1149 WeakPolarHBondContact O-CG 3.42Å; D1145-R1149 PolarHBondContact O-N 3.29Å; D1145-R1149 PolarHBondContact O-NE 2.79Å |
| 1146 | E | 92.9 | Very high | 92.1 | Very high | 101 Ų | 101 | 105 Ų | 105 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.2 | -50.7 | 172.9 | -76.4 | 177.6 | 166.3 | 0 | 0 | 111.8 | I1142 A1144 Q1148 R1149 M1150 | I1142-E1146 WeakPolarHBondContact O-CG 3.37Å; I1142-E1146 PolarHBondContact O-N 3.43Å; A1144-E1146 VanDerWaalsContact C-N 3.27Å; A1144-E1146 PolarHBondContact O-N 3.36Å; E1146-Q1148 VanDerWaalsContact C-N 3.28Å; E1146-Q1148 PolarHBondContact O-N 3.41Å; E1146-R1149 VanDerWaalsContact CG-NH2 3.26Å; E1146-R1149 WeakPolarHBondContact O-CB 3.47Å; E1146-R1149 PolarHBondContact O-N 3.14Å; E1146-R1149 VanDerWaalsContact O-N 3.15Å; E1146-M1150 PolarHBondContact O-N 2.89Å |
| 1147 | S | 84.6 | Confident | 92.3 | Very high | 65 Ų | 65 | 105.5 Ų | 105.5 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -37.5 | 176.3 | 66.4 | 0 | 0 | 0 | 0 | 112 | K1143 A1144 M1150 I1151 | K1143-S1147 PolarHBondContact O-N 3.34Å; K1143-S1147 PolarHBondContact O-OG 3.16Å; A1144-S1147 PolarHBondContact O-N 3.11Å; A1144-S1147 PolarHBondContact O-OG 3.13Å; S1147-M1150 PolarHBondContact O-N 3.44Å; S1147-I1151 WeakPolarHBondContact O-CB 3.38Å; S1147-I1151 VanDerWaalsContact O-CG1 3.26Å; S1147-I1151 WeakPolarHBondContact O-CG1 3.23Å; S1147-I1151 PolarHBondContact O-N 3.02Å |
| 1148 | Q | 90.4 | Very high | 92.2 | Very high | 107 Ų | 107 | 105.9 Ų | 105.9 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.4 | -29.2 | 176.5 | -168.3 | 163.8 | -5.2 | 0 | 0 | 112.8 | A1144 E1146 K1152 | A1144-Q1148 WeakPolarHBondContact O-CB 3.31Å; A1144-Q1148 PolarHBondContact O-N 3.46Å; E1146-Q1148 VanDerWaalsContact C-N 3.28Å; E1146-Q1148 PolarHBondContact O-N 3.41Å; Q1148-K1152 WeakPolarHBondContact O-CB 3.48Å; Q1148-K1152 VanDerWaalsContact O-CG 3.29Å; Q1148-K1152 WeakPolarHBondContact O-CG 3.35Å; Q1148-K1152 PolarHBondContact O-N 3.36Å |
| 1149 | R | 95.5 | Very high | 92.3 | Very high | 140 Ų | 140 | 107.8 Ų | 107.8 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.1 | -43.7 | 167.1 | -86.2 | 173.3 | -83.1 | 140.7 | -9 | 111.6 | D1145 E1146 K1152 Q1153 | D1145-R1149 WeakPolarHBondContact O-CB 3.36Å; D1145-R1149 WeakPolarHBondContact O-CG 3.42Å; D1145-R1149 PolarHBondContact O-N 3.29Å; D1145-R1149 PolarHBondContact O-NE 2.79Å; E1146-R1149 VanDerWaalsContact CG-NH2 3.26Å; E1146-R1149 WeakPolarHBondContact O-CB 3.47Å; E1146-R1149 PolarHBondContact O-N 3.14Å; E1146-R1149 VanDerWaalsContact O-N 3.15Å; R1149-K1152 PolarHBondContact O-N 3.12Å; R1149-Q1153 PolarHBondContact O-N 2.9Å |
| 1150 | M | 93.4 | Very high | 92.1 | Very high | 132 Ų | 132 | 107.4 Ų | 107.4 | 65% | 0.65 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.5 | -41.3 | 177.3 | -173.8 | 159 | -81.5 | 0 | 0 | 112.2 | E1146 S1147 K1152 Q1153 L1154 | E1146-M1150 PolarHBondContact O-N 2.89Å; S1147-M1150 PolarHBondContact O-N 3.44Å; M1150-K1152 VanDerWaalsContact C-N 3.33Å; M1150-K1152 PolarHBondContact O-N 3.04Å; M1150-Q1153 WeakPolarHBondContact O-CB 3.3Å; M1150-Q1153 PolarHBondContact O-N 3.41Å; M1150-Q1153 VanDerWaalsContact O-N 3.08Å; M1150-L1154 HydrophobicContact CG-CD1 4.18Å; M1150-L1154 WeakPolarHBondContact O-CG 3.38Å; M1150-L1154 PolarHBondContact O-N 3.33Å |
| 1151 | I | 90.9 | Very high | 92.1 | Very high | 82 Ų | 82 | 105.4 Ų | 105.4 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 172.3 | -70.3 | 163.3 | 0 | 0 | 0 | 111.3 | S1147 Q1153 R1155 | S1147-I1151 WeakPolarHBondContact O-CB 3.38Å; S1147-I1151 VanDerWaalsContact O-CG1 3.26Å; S1147-I1151 WeakPolarHBondContact O-CG1 3.23Å; S1147-I1151 PolarHBondContact O-N 3.02Å; I1151-Q1153 VanDerWaalsContact C-N 3.29Å; I1151-Q1153 PolarHBondContact O-N 3.39Å; I1151-R1155 WeakPolarHBondContact O-CG 3.5Å; I1151-R1155 PolarHBondContact O-N 3.4Å; I1151-R1155 VanDerWaalsContact O-N 3.1Å |
| 1152 | K | 94.3 | Very high | 91.9 | Very high | 112 Ų | 112 | 102.6 Ų | 102.6 | 49% | 0.487 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -32.2 | 173.7 | -78.3 | 173.9 | 179.2 | 179.1 | 0 | 112.5 | Q1148 R1149 M1150 R1156 | Q1148-K1152 WeakPolarHBondContact O-CB 3.48Å; Q1148-K1152 VanDerWaalsContact O-CG 3.29Å; Q1148-K1152 WeakPolarHBondContact O-CG 3.35Å; Q1148-K1152 PolarHBondContact O-N 3.36Å; R1149-K1152 PolarHBondContact O-N 3.12Å; M1150-K1152 VanDerWaalsContact C-N 3.33Å; M1150-K1152 PolarHBondContact O-N 3.04Å; K1152-R1156 PolarHBondContact O-N 2.95Å |
| 1153 | Q | 94.8 | Very high | 91.9 | Very high | 81 Ų | 81 | 104.2 Ų | 104.2 | 38% | 0.379 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.4 | -50.6 | 177.2 | -176.5 | 57.9 | 19.3 | 0 | 0 | 111.6 | R1149 M1150 I1151 R1155 R1156 E1157 | R1149-Q1153 PolarHBondContact O-N 2.9Å; M1150-Q1153 WeakPolarHBondContact O-CB 3.3Å; M1150-Q1153 PolarHBondContact O-N 3.41Å; M1150-Q1153 VanDerWaalsContact O-N 3.08Å; I1151-Q1153 VanDerWaalsContact C-N 3.29Å; I1151-Q1153 PolarHBondContact O-N 3.39Å; Q1153-R1155 PolarHBondContact O-N 3.39Å; Q1153-R1156 PolarHBondContact O-N 3.09Å; Q1153-E1157 VanDerWaalsContact CG-OE1 3.3Å; Q1153-E1157 WeakPolarHBondContact CG-OE1 3.46Å; Q1153-E1157 PolarHBondContact NE2-OE1 3.11Å; Q1153-E1157 PolarHBondContact O-N 2.77Å |
| 1154 | L | 93.3 | Very high | 91.8 | Very high | 101 Ų | 101 | 103.5 Ų | 103.5 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.6 | -31.5 | 176.9 | -69.3 | 168.2 | 0 | 0 | 0 | 112.7 | M1150 R1158 | M1150-L1154 HydrophobicContact CG-CD1 4.18Å; M1150-L1154 WeakPolarHBondContact O-CG 3.38Å; M1150-L1154 PolarHBondContact O-N 3.33Å; L1154-R1158 WeakPolarHBondContact O-CB 3.25Å; L1154-R1158 PolarHBondContact O-N 2.83Å |
| 1155 | R | 92.3 | Very high | 92.1 | Very high | 148 Ų | 148 | 106.4 Ų | 106.4 | 56% | 0.558 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.9 | -45.9 | 171.5 | -76.5 | -179.3 | -162.8 | -161.7 | 3.5 | 112.8 | I1151 Q1153 E1157 R1158 E1159 | I1151-R1155 WeakPolarHBondContact O-CG 3.5Å; I1151-R1155 PolarHBondContact O-N 3.4Å; I1151-R1155 VanDerWaalsContact O-N 3.1Å; Q1153-R1155 PolarHBondContact O-N 3.39Å; R1155-E1157 VanDerWaalsContact C-N 3.32Å; R1155-E1157 PolarHBondContact O-N 2.8Å; R1155-R1158 WeakPolarHBondContact O-CB 3.35Å; R1155-R1158 PolarHBondContact O-N 3.18Å; R1155-E1159 WeakPolarHBondContact O-CB 3.47Å; R1155-E1159 VanDerWaalsContact O-CD 3.31Å; R1155-E1159 WeakPolarHBondContact O-CG 3.41Å; R1155-E1159 PolarHBondContact O-N 3.12Å |
| 1156 | R | 95.3 | Very high | 92 | Very high | 135 Ų | 135 | 109 Ų | 109 | 51% | 0.509 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -37 | 177.6 | -64.5 | -176.9 | -158.6 | 104.7 | -0.9 | 112.3 | K1152 Q1153 E1159 H1160 | K1152-R1156 PolarHBondContact O-N 2.95Å; Q1153-R1156 PolarHBondContact O-N 3.09Å; R1156-E1159 PolarHBondContact O-N 3.47Å; R1156-H1160 VanDerWaalsContact O-CB 3.28Å; R1156-H1160 WeakPolarHBondContact O-CB 3.42Å; R1156-H1160 PolarHBondContact O-N 2.7Å |
| 1157 | E | 92.9 | Very high | 92 | Very high | 86 Ų | 86 | 110.1 Ų | 110.1 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 175.6 | -72.2 | 162.7 | -175.1 | 0 | 0 | 110.7 | Q1153 R1155 H1160 L1161 | Q1153-E1157 VanDerWaalsContact CG-OE1 3.3Å; Q1153-E1157 WeakPolarHBondContact CG-OE1 3.46Å; Q1153-E1157 PolarHBondContact NE2-OE1 3.11Å; Q1153-E1157 PolarHBondContact O-N 2.77Å; R1155-E1157 VanDerWaalsContact C-N 3.32Å; R1155-E1157 PolarHBondContact O-N 2.8Å; E1157-H1160 PolarHBondContact O-N 3.18Å; E1157-L1161 WeakPolarHBondContact O-CB 3.44Å; E1157-L1161 VanDerWaalsContact O-CG 3.27Å; E1157-L1161 WeakPolarHBondContact O-CG 3.37Å; E1157-L1161 PolarHBondContact O-N 2.94Å |
| 1158 | R | 89.4 | Confident | 92.3 | Very high | 133 Ų | 133 | 109.4 Ų | 109.4 | 50% | 0.502 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -48 | 171.3 | -164 | -150.8 | 70.9 | -173.5 | 7.9 | 112.2 | L1154 R1155 H1160 L1161 E1162 | L1154-R1158 WeakPolarHBondContact O-CB 3.25Å; L1154-R1158 PolarHBondContact O-N 2.83Å; R1155-R1158 WeakPolarHBondContact O-CB 3.35Å; R1155-R1158 PolarHBondContact O-N 3.18Å; R1158-H1160 VanDerWaalsContact C-N 3.28Å; R1158-H1160 PolarHBondContact O-N 3.04Å; R1158-L1161 PolarHBondContact O-N 3.09Å; R1158-L1161 VanDerWaalsContact O-N 3.15Å; R1158-E1162 WeakPolarHBondContact CD-OE1 3.32Å; R1158-E1162 HydrophobicContact CG-CG 4.39Å; R1158-E1162 IonicContact CZ-OE1 3.69Å; R1158-E1162 VanDerWaalsContact CZ-OE1 3.26Å; R1158-E1162 IonicContact CZ-OE2 2.69Å; R1158-E1162 IonicContact NE-OE1 2.73Å; R1158-E1162 PolarHBondContact NE-OE1 2.85Å; R1158-E1162 IonicContact NE-OE2 2.64Å; R1158-E1162 PolarHBondContact NE-OE2 3.1Å; R1158-E1162 IonicContact NH2-OE1 2.64Å; R1158-E1162 PolarHBondContact NH2-OE1 3.45Å; R1158-E1162 IonicContact NH2-OE2 3.72Å; R1158-E1162 PolarHBondContact NH2-OE2 3.32Å; R1158-E1162 WeakPolarHBondContact O-CB 3.47Å; R1158-E1162 VanDerWaalsContact O-CG 3.25Å; R1158-E1162 WeakPolarHBondContact O-CG 3.17Å; R1158-E1162 PolarHBondContact O-N 2.81Å |
| 1159 | E | 93.1 | Very high | 92.2 | Very high | 102 Ų | 102 | 109.3 Ų | 109.3 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.4 | -37.6 | 177.6 | -72.2 | 155 | -168.1 | 0 | 0 | 111.7 | R1155 R1156 E1162 M1163 | R1155-E1159 WeakPolarHBondContact O-CB 3.47Å; R1155-E1159 VanDerWaalsContact O-CD 3.31Å; R1155-E1159 WeakPolarHBondContact O-CG 3.41Å; R1155-E1159 PolarHBondContact O-N 3.12Å; R1156-E1159 PolarHBondContact O-N 3.47Å; E1159-E1162 WeakPolarHBondContact CA-OE2 3.36Å; E1159-M1163 PolarHBondContact O-N 2.99Å; E1159-M1163 VanDerWaalsContact O-N 3.12Å |
| 1160 | H | 91.5 | Very high | 92 | Very high | 94 Ų | 94 | 108.6 Ų | 108.6 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.2 | -44.4 | 173.6 | -178.6 | -0.5 | 0 | 0 | 0 | 112.2 | R1156 E1157 R1158 M1163 E1164 | R1156-H1160 VanDerWaalsContact O-CB 3.28Å; R1156-H1160 WeakPolarHBondContact O-CB 3.42Å; R1156-H1160 PolarHBondContact O-N 2.7Å; E1157-H1160 PolarHBondContact O-N 3.18Å; R1158-H1160 VanDerWaalsContact C-N 3.28Å; R1158-H1160 PolarHBondContact O-N 3.04Å; H1160-M1163 PolarHBondContact O-N 3.32Å; H1160-E1164 IonicContact CE1-OE1 2.7Å; H1160-E1164 PolarHBondContact CE1-OE1 3.27Å; H1160-E1164 PolarHBondContact O-N 3.42Å |
| 1161 | L | 92.4 | Very high | 91.9 | Very high | 110 Ų | 110 | 106.5 Ų | 106.5 | 58% | 0.576 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.3 | -34.5 | 177.7 | -71.1 | 168.6 | 0 | 0 | 0 | 112.3 | E1157 R1158 M1163 E1164 L1165 | E1157-L1161 WeakPolarHBondContact O-CB 3.44Å; E1157-L1161 VanDerWaalsContact O-CG 3.27Å; E1157-L1161 WeakPolarHBondContact O-CG 3.37Å; E1157-L1161 PolarHBondContact O-N 2.94Å; R1158-L1161 PolarHBondContact O-N 3.09Å; R1158-L1161 VanDerWaalsContact O-N 3.15Å; L1161-M1163 VanDerWaalsContact C-N 3.35Å; L1161-E1164 PolarHBondContact O-N 2.94Å; L1161-L1165 VanDerWaalsContact O-CB 3.31Å; L1161-L1165 WeakPolarHBondContact O-CB 3.37Å; L1161-L1165 PolarHBondContact O-N 2.85Å |
| 1162 | E | 89.6 | Confident | 91.9 | Very high | 87 Ų | 87 | 110.4 Ų | 110.4 | 41% | 0.407 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 172.2 | -75.4 | 167 | 153.3 | 0 | 0 | 110.5 | R1158 E1159 L1165 E1166 | R1158-E1162 WeakPolarHBondContact CD-OE1 3.32Å; R1158-E1162 HydrophobicContact CG-CG 4.39Å; R1158-E1162 IonicContact CZ-OE1 3.69Å; R1158-E1162 VanDerWaalsContact CZ-OE1 3.26Å; R1158-E1162 IonicContact CZ-OE2 2.69Å; R1158-E1162 IonicContact NE-OE1 2.73Å; R1158-E1162 PolarHBondContact NE-OE1 2.85Å; R1158-E1162 IonicContact NE-OE2 2.64Å; R1158-E1162 PolarHBondContact NE-OE2 3.1Å; R1158-E1162 IonicContact NH2-OE1 2.64Å; R1158-E1162 PolarHBondContact NH2-OE1 3.45Å; R1158-E1162 IonicContact NH2-OE2 3.72Å; R1158-E1162 PolarHBondContact NH2-OE2 3.32Å; R1158-E1162 WeakPolarHBondContact O-CB 3.47Å; R1158-E1162 VanDerWaalsContact O-CG 3.25Å; R1158-E1162 WeakPolarHBondContact O-CG 3.17Å; R1158-E1162 PolarHBondContact O-N 2.81Å; E1159-E1162 WeakPolarHBondContact CA-OE2 3.36Å; E1162-L1165 PolarHBondContact O-N 2.87Å; E1162-E1166 PolarHBondContact O-N 3.08Å |
| 1163 | M | 93.5 | Very high | 91.7 | Very high | 122 Ų | 122 | 108.8 Ų | 108.8 | 60% | 0.601 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.9 | -38.3 | 174.9 | -176.9 | -178.1 | 63.7 | 0 | 0 | 113.2 | E1159 H1160 L1161 K1167 | E1159-M1163 PolarHBondContact O-N 2.99Å; E1159-M1163 VanDerWaalsContact O-N 3.12Å; H1160-M1163 PolarHBondContact O-N 3.32Å; L1161-M1163 VanDerWaalsContact C-N 3.35Å; M1163-K1167 WeakPolarHBondContact O-CB 3.47Å; M1163-K1167 PolarHBondContact O-N 3.47Å |
| 1164 | E | 91.6 | Very high | 91.6 | Very high | 109 Ų | 109 | 107.9 Ų | 107.9 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.8 | -35.9 | 174.2 | -72.5 | -160.9 | 148.5 | 0 | 0 | 112.2 | H1160 L1161 A1168 | H1160-E1164 IonicContact CE1-OE1 2.7Å; H1160-E1164 PolarHBondContact CE1-OE1 3.27Å; H1160-E1164 PolarHBondContact O-N 3.42Å; L1161-E1164 PolarHBondContact O-N 2.94Å; E1164-A1168 WeakPolarHBondContact O-CB 3.35Å; E1164-A1168 PolarHBondContact O-N 2.88Å |
| 1165 | L | 89.6 | Confident | 91.5 | Very high | 109 Ų | 109 | 110.2 Ų | 110.2 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.6 | -49 | 174.4 | -177.3 | 64 | 0 | 0 | 0 | 111.3 | L1161 E1162 K1167 A1168 E1169 | L1161-L1165 VanDerWaalsContact O-CB 3.31Å; L1161-L1165 WeakPolarHBondContact O-CB 3.37Å; L1161-L1165 PolarHBondContact O-N 2.85Å; E1162-L1165 PolarHBondContact O-N 2.87Å; L1165-K1167 VanDerWaalsContact C-N 3.28Å; L1165-K1167 PolarHBondContact O-N 2.85Å; L1165-A1168 CarbonylContact O-C 3.55Å; L1165-A1168 WeakPolarHBondContact O-CB 3.37Å; L1165-A1168 PolarHBondContact O-N 3.39Å; L1165-A1168 VanDerWaalsContact O-N 3.07Å; L1165-E1169 WeakPolarHBondContact O-CG 3.39Å; L1165-E1169 PolarHBondContact O-N 3.37Å |
| 1166 | E | 90.9 | Very high | 91.5 | Very high | 133 Ų | 133 | 106.1 Ų | 106.1 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -38.2 | 177.7 | -174.8 | 171.3 | -143.2 | 0 | 0 | 111.7 | E1162 E1169 M1170 | E1162-E1166 PolarHBondContact O-N 3.08Å; E1166-E1169 PolarHBondContact O-N 3.29Å; E1166-M1170 WeakPolarHBondContact O-CB 3.41Å; E1166-M1170 PolarHBondContact O-N 2.95Å |
| 1167 | K | 93.1 | Very high | 91.3 | Very high | 124 Ų | 124 | 105.6 Ų | 105.6 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 171.7 | -178.3 | 176.2 | 177.6 | -72.8 | 0 | 112 | M1163 L1165 E1169 M1170 E1171 | M1163-K1167 WeakPolarHBondContact O-CB 3.47Å; M1163-K1167 PolarHBondContact O-N 3.47Å; L1165-K1167 VanDerWaalsContact C-N 3.28Å; L1165-K1167 PolarHBondContact O-N 2.85Å; K1167-E1169 VanDerWaalsContact C-N 3.31Å; K1167-E1169 PolarHBondContact O-N 3.45Å; K1167-M1170 PolarHBondContact O-N 3.4Å; K1167-E1171 WeakPolarHBondContact CE-OE1 3.43Å; K1167-E1171 IonicContact NZ-OE1 2.71Å; K1167-E1171 PolarHBondContact NZ-OE1 2.94Å; K1167-E1171 WeakPolarHBondContact O-CG 3.44Å; K1167-E1171 PolarHBondContact O-N 3.32Å |
| 1168 | A | 90.1 | Very high | 91.2 | Very high | 50 Ų | 50 | 106.4 Ų | 106.4 | 41% | 0.413 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -34.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1164 L1165 R1172 | E1164-A1168 WeakPolarHBondContact O-CB 3.35Å; E1164-A1168 PolarHBondContact O-N 2.88Å; L1165-A1168 CarbonylContact O-C 3.55Å; L1165-A1168 WeakPolarHBondContact O-CB 3.37Å; L1165-A1168 PolarHBondContact O-N 3.39Å; L1165-A1168 VanDerWaalsContact O-N 3.07Å; A1168-R1172 WeakPolarHBondContact O-CB 3.37Å; A1168-R1172 PolarHBondContact O-N 2.86Å |
| 1169 | E | 89.1 | Confident | 91.3 | Very high | 105 Ų | 105 | 104.8 Ų | 104.8 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.9 | -36.4 | 173 | -67.7 | -151.4 | 130 | 0 | 0 | 112.6 | L1165 E1166 K1167 R1172 S1173 | L1165-E1169 WeakPolarHBondContact O-CG 3.39Å; L1165-E1169 PolarHBondContact O-N 3.37Å; E1166-E1169 PolarHBondContact O-N 3.29Å; K1167-E1169 VanDerWaalsContact C-N 3.31Å; K1167-E1169 PolarHBondContact O-N 3.45Å; E1169-R1172 PolarHBondContact O-N 2.96Å; E1169-R1172 IonicContact OE1-NH1 2.78Å; E1169-S1173 VanDerWaalsContact O-CB 3.27Å; E1169-S1173 WeakPolarHBondContact O-CB 3.47Å; E1169-S1173 PolarHBondContact O-N 3.24Å |
| 1170 | M | 91.4 | Very high | 91.2 | Very high | 126 Ų | 126 | 108.2 Ų | 108.2 | 62% | 0.621 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.9 | -43.4 | 173.6 | -167.9 | -178.6 | -60.7 | 0 | 0 | 112.1 | E1166 K1167 S1173 T1174 | E1166-M1170 WeakPolarHBondContact O-CB 3.41Å; E1166-M1170 PolarHBondContact O-N 2.95Å; K1167-M1170 PolarHBondContact O-N 3.4Å; M1170-S1173 PolarHBondContact O-N 3.46Å; M1170-T1174 PolarHBondContact O-N 3.28Å; M1170-T1174 PolarHBondContact O-OG1 2.91Å |
| 1171 | E | 91.1 | Very high | 91.2 | Very high | 87 Ų | 87 | 108.4 Ų | 108.4 | 41% | 0.407 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 172.5 | -73 | 175 | -164.5 | 0 | 0 | 111.1 | K1167 S1173 T1174 Y1175 | K1167-E1171 WeakPolarHBondContact CE-OE1 3.43Å; K1167-E1171 IonicContact NZ-OE1 2.71Å; K1167-E1171 PolarHBondContact NZ-OE1 2.94Å; K1167-E1171 WeakPolarHBondContact O-CG 3.44Å; K1167-E1171 PolarHBondContact O-N 3.32Å; E1171-S1173 PolarHBondContact O-N 3.01Å; E1171-T1174 WeakPolarHBondContact O-CB 3.5Å; E1171-T1174 PolarHBondContact O-N 3.41Å; E1171-Y1175 WeakPolarHBondContact O-CD2 3.46Å; E1171-Y1175 PolarHBondContact O-N 3.34Å |
| 1172 | R | 91.1 | Very high | 91.2 | Very high | 164 Ų | 164 | 108.3 Ų | 108.3 | 62% | 0.619 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.8 | -42.3 | 175.1 | 178.6 | -176.2 | 174.5 | -147.1 | 0.6 | 112.7 | A1168 E1169 T1174 Y1175 V1176 | A1168-R1172 WeakPolarHBondContact O-CB 3.37Å; A1168-R1172 PolarHBondContact O-N 2.86Å; E1169-R1172 PolarHBondContact O-N 2.96Å; E1169-R1172 IonicContact OE1-NH1 2.78Å; R1172-T1174 VanDerWaalsContact C-N 3.31Å; R1172-Y1175 PolarHBondContact O-N 3.35Å; R1172-V1176 WeakPolarHBondContact O-CG2 3.33Å; R1172-V1176 PolarHBondContact O-N 2.99Å |
| 1173 | S | 89.7 | Confident | 91.3 | Very high | 79 Ų | 79 | 110.6 Ų | 110.6 | 55% | 0.552 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.3 | -40.9 | 176.8 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | E1169 M1170 E1171 V1176 M1177 | E1169-S1173 VanDerWaalsContact O-CB 3.27Å; E1169-S1173 WeakPolarHBondContact O-CB 3.47Å; E1169-S1173 PolarHBondContact O-N 3.24Å; M1170-S1173 PolarHBondContact O-N 3.46Å; E1171-S1173 PolarHBondContact O-N 3.01Å; S1173-V1176 PolarHBondContact O-N 3.32Å; S1173-M1177 PolarHBondContact O-N 3.34Å |
| 1174 | T | 92.3 | Very high | 91.2 | Very high | 62 Ų | 62 | 108 Ų | 108 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -49.6 | 175.5 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | M1170 E1171 R1172 V1176 M1177 E1178 | M1170-T1174 PolarHBondContact O-N 3.28Å; M1170-T1174 PolarHBondContact O-OG1 2.91Å; E1171-T1174 WeakPolarHBondContact O-CB 3.5Å; E1171-T1174 PolarHBondContact O-N 3.41Å; R1172-T1174 VanDerWaalsContact C-N 3.31Å; T1174-V1176 VanDerWaalsContact C-N 3.32Å; T1174-V1176 PolarHBondContact O-N 3.17Å; T1174-M1177 WeakPolarHBondContact O-CB 3.4Å; T1174-M1177 PolarHBondContact O-N 2.87Å; T1174-E1178 PolarHBondContact O-N 3.31Å |
| 1175 | Y | 91.1 | Very high | 91.2 | Very high | 149 Ų | 149 | 107.4 Ų | 107.4 | 58% | 0.584 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.3 | -37.4 | 174.6 | -71.6 | -57.8 | 0 | 0 | 0 | 113.1 | E1171 R1172 M1177 E1178 V1179 | E1171-Y1175 WeakPolarHBondContact O-CD2 3.46Å; E1171-Y1175 PolarHBondContact O-N 3.34Å; R1172-Y1175 PolarHBondContact O-N 3.35Å; Y1175-M1177 VanDerWaalsContact C-N 3.3Å; Y1175-M1177 PolarHBondContact O-N 2.96Å; Y1175-E1178 PolarHBondContact O-N 2.98Å; Y1175-V1179 WeakPolarHBondContact O-CB 3.29Å; Y1175-V1179 VanDerWaalsContact O-CG2 3.27Å; Y1175-V1179 WeakPolarHBondContact O-CG2 3.37Å; Y1175-V1179 PolarHBondContact O-N 2.89Å |
| 1176 | V | 92.4 | Very high | 91.4 | Very high | 63 Ų | 63 | 107.6 Ų | 107.6 | 38% | 0.382 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -34.1 | 174.9 | 167.2 | 0 | 0 | 0 | 0 | 111.6 | R1172 S1173 T1174 R1180 | R1172-V1176 WeakPolarHBondContact O-CG2 3.33Å; R1172-V1176 PolarHBondContact O-N 2.99Å; S1173-V1176 PolarHBondContact O-N 3.32Å; T1174-V1176 VanDerWaalsContact C-N 3.32Å; T1174-V1176 PolarHBondContact O-N 3.17Å; V1176-R1180 VanDerWaalsContact O-CG 3.28Å; V1176-R1180 WeakPolarHBondContact O-CG 3.44Å; V1176-R1180 PolarHBondContact O-N 2.78Å; V1176-R1180 VanDerWaalsContact O-N 3.1Å |
| 1177 | M | 90.6 | Very high | 91.3 | Very high | 123 Ų | 123 | 105.9 Ų | 105.9 | 61% | 0.606 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69 | -46 | 174 | -173.6 | 171.7 | 64.7 | 0 | 0 | 111.7 | S1173 T1174 Y1175 V1179 R1180 E1181 | S1173-M1177 PolarHBondContact O-N 3.34Å; T1174-M1177 WeakPolarHBondContact O-CB 3.4Å; T1174-M1177 PolarHBondContact O-N 2.87Å; Y1175-M1177 VanDerWaalsContact C-N 3.3Å; Y1175-M1177 PolarHBondContact O-N 2.96Å; M1177-V1179 PolarHBondContact O-N 2.79Å; M1177-R1180 WeakPolarHBondContact O-CB 3.23Å; M1177-R1180 PolarHBondContact O-N 2.93Å; M1177-E1181 PolarHBondContact O-N 3.27Å |
| 1178 | E | 92.6 | Very high | 91.2 | Very high | 104 Ų | 104 | 104.7 Ų | 104.7 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 174.9 | -68.8 | 179.4 | 170.1 | 0 | 0 | 112.1 | T1174 Y1175 R1180 E1181 L1182 | T1174-E1178 PolarHBondContact O-N 3.31Å; Y1175-E1178 PolarHBondContact O-N 2.98Å; E1178-R1180 VanDerWaalsContact C-N 3.33Å; E1178-R1180 PolarHBondContact O-N 3.2Å; E1178-E1181 PolarHBondContact O-N 3.26Å; E1178-L1182 WeakPolarHBondContact O-CB 3.43Å; E1178-L1182 WeakPolarHBondContact O-CG 3.21Å; E1178-L1182 PolarHBondContact O-N 2.77Å |
| 1179 | V | 91.2 | Very high | 91.3 | Very high | 98 Ų | 98 | 106 Ų | 106 | 59% | 0.594 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.9 | -33.3 | 177.2 | 168.9 | 0 | 0 | 0 | 0 | 112.2 | Y1175 M1177 K1183 | Y1175-V1179 WeakPolarHBondContact O-CB 3.29Å; Y1175-V1179 VanDerWaalsContact O-CG2 3.27Å; Y1175-V1179 WeakPolarHBondContact O-CG2 3.37Å; Y1175-V1179 PolarHBondContact O-N 2.89Å; M1177-V1179 PolarHBondContact O-N 2.79Å; V1179-K1183 VanDerWaalsContact O-CB 3.29Å; V1179-K1183 WeakPolarHBondContact O-CB 3.17Å; V1179-K1183 PolarHBondContact O-N 3.48Å; V1179-K1183 VanDerWaalsContact O-N 3.09Å |
| 1180 | R | 90.5 | Very high | 91.3 | Very high | 174 Ų | 174 | 106.9 Ų | 106.9 | 66% | 0.657 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.7 | -45.5 | 171.5 | -74.5 | 172.1 | -167.5 | 174.4 | 5.6 | 111.4 | V1176 M1177 E1178 K1183 T1184 | V1176-R1180 VanDerWaalsContact O-CG 3.28Å; V1176-R1180 WeakPolarHBondContact O-CG 3.44Å; V1176-R1180 PolarHBondContact O-N 2.78Å; V1176-R1180 VanDerWaalsContact O-N 3.1Å; M1177-R1180 WeakPolarHBondContact O-CB 3.23Å; M1177-R1180 PolarHBondContact O-N 2.93Å; E1178-R1180 VanDerWaalsContact C-N 3.33Å; E1178-R1180 PolarHBondContact O-N 3.2Å; R1180-K1183 WeakPolarHBondContact O-CB 3.13Å; R1180-K1183 PolarHBondContact O-N 3.26Å; R1180-K1183 VanDerWaalsContact O-N 3.16Å; R1180-T1184 PolarHBondContact O-N 3.4Å; R1180-T1184 PolarHBondContact O-OG1 3.04Å; R1180-T1184 VanDerWaalsContact O-OG1 3.14Å |
| 1181 | E | 91.5 | Very high | 91.3 | Very high | 99 Ų | 99 | 103.8 Ų | 103.8 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.3 | -48.2 | -179.7 | -179.7 | 51.9 | -146.9 | 0 | 0 | 111.6 | M1177 E1178 K1183 T1184 Q1185 | M1177-E1181 PolarHBondContact O-N 3.27Å; E1178-E1181 PolarHBondContact O-N 3.26Å; E1181-K1183 VanDerWaalsContact C-N 3.25Å; E1181-K1183 PolarHBondContact O-N 3.43Å; E1181-T1184 WeakPolarHBondContact O-CB 3.39Å; E1181-T1184 PolarHBondContact O-N 3.39Å; E1181-Q1185 WeakPolarHBondContact O-CG 3.39Å; E1181-Q1185 PolarHBondContact O-N 2.99Å; E1181-Q1185 PolarHBondContact OE1-NE2 3.02Å |
| 1182 | L | 92.9 | Very high | 91.3 | Very high | 108 Ų | 108 | 104.9 Ų | 104.9 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.1 | -35.5 | 173.5 | -69.2 | 171.2 | 0 | 0 | 0 | 112.4 | E1178 Q1185 L1186 | E1178-L1182 WeakPolarHBondContact O-CB 3.43Å; E1178-L1182 WeakPolarHBondContact O-CG 3.21Å; E1178-L1182 PolarHBondContact O-N 2.77Å; L1182-Q1185 PolarHBondContact O-N 2.82Å; L1182-L1186 WeakPolarHBondContact O-CB 3.36Å; L1182-L1186 PolarHBondContact O-N 3.48Å |
| 1183 | K | 91.5 | Very high | 91.3 | Very high | 135 Ų | 135 | 101.9 Ų | 101.9 | 59% | 0.587 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.3 | -36.3 | 174.4 | -175.6 | 172 | -179.4 | 176.2 | 0 | 112.5 | V1179 R1180 E1181 L1186 N1187 | V1179-K1183 VanDerWaalsContact O-CB 3.29Å; V1179-K1183 WeakPolarHBondContact O-CB 3.17Å; V1179-K1183 PolarHBondContact O-N 3.48Å; V1179-K1183 VanDerWaalsContact O-N 3.09Å; R1180-K1183 WeakPolarHBondContact O-CB 3.13Å; R1180-K1183 PolarHBondContact O-N 3.26Å; R1180-K1183 VanDerWaalsContact O-N 3.16Å; E1181-K1183 VanDerWaalsContact C-N 3.25Å; E1181-K1183 PolarHBondContact O-N 3.43Å; K1183-L1186 PolarHBondContact O-N 3.11Å; K1183-N1187 WeakPolarHBondContact O-CB 3.48Å; K1183-N1187 PolarHBondContact O-N 3.11Å; K1183-N1187 PolarHBondContact O-ND2 2.84Å |
| 1184 | T | 91.1 | Very high | 91.3 | Very high | 68 Ų | 68 | 103.4 Ų | 103.4 | 42% | 0.417 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -48.1 | 172.3 | -56.1 | 0 | 0 | 0 | 0 | 110.7 | R1180 E1181 L1186 N1187 E1188 | R1180-T1184 PolarHBondContact O-N 3.4Å; R1180-T1184 PolarHBondContact O-OG1 3.04Å; R1180-T1184 VanDerWaalsContact O-OG1 3.14Å; E1181-T1184 WeakPolarHBondContact O-CB 3.39Å; E1181-T1184 PolarHBondContact O-N 3.39Å; T1184-L1186 VanDerWaalsContact C-N 3.32Å; T1184-L1186 PolarHBondContact O-N 3.07Å; T1184-N1187 PolarHBondContact O-N 3.33Å; T1184-N1187 VanDerWaalsContact O-N 3.16Å; T1184-E1188 PolarHBondContact O-N 3.49Å |
| 1185 | Q | 92.3 | Very high | 91.2 | Very high | 95 Ų | 95 | 104.8 Ų | 104.8 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | 178.1 | -65.1 | 176.3 | 17.5 | 0 | 0 | 112.5 | E1181 L1182 E1188 T1189 | E1181-Q1185 WeakPolarHBondContact O-CG 3.39Å; E1181-Q1185 PolarHBondContact O-N 2.99Å; E1181-Q1185 PolarHBondContact OE1-NE2 3.02Å; L1182-Q1185 PolarHBondContact O-N 2.82Å; Q1185-E1188 PolarHBondContact O-N 3.32Å; Q1185-T1189 WeakPolarHBondContact O-CG2 3.45Å; Q1185-T1189 PolarHBondContact O-N 3.15Å; Q1185-T1189 PolarHBondContact O-OG1 2.86Å |
| 1186 | L | 92.4 | Very high | 91.1 | Very high | 114 Ų | 114 | 102.2 Ų | 102.2 | 60% | 0.597 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.9 | -41.7 | 173.1 | -174.9 | 62.2 | 0 | 0 | 0 | 112.2 | L1182 K1183 T1184 T1189 H1190 | L1182-L1186 WeakPolarHBondContact O-CB 3.36Å; L1182-L1186 PolarHBondContact O-N 3.48Å; K1183-L1186 PolarHBondContact O-N 3.11Å; T1184-L1186 VanDerWaalsContact C-N 3.32Å; T1184-L1186 PolarHBondContact O-N 3.07Å; L1186-T1189 WeakPolarHBondContact CA-OG1 3.41Å; L1186-T1189 PolarHBondContact O-N 3.09Å; L1186-T1189 PolarHBondContact O-OG1 2.9Å; L1186-T1189 VanDerWaalsContact O-OG1 3.06Å; L1186-H1190 WeakPolarHBondContact O-CB 3.3Å; L1186-H1190 PolarHBondContact O-N 3.24Å |
| 1187 | N | 88.8 | Confident | 90.8 | Very high | 97 Ų | 97 | 105.2 Ų | 105.2 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 175.6 | -71.2 | -15.7 | 0 | 0 | 0 | 111.8 | K1183 T1184 S1191 | K1183-N1187 WeakPolarHBondContact O-CB 3.48Å; K1183-N1187 PolarHBondContact O-N 3.11Å; K1183-N1187 PolarHBondContact O-ND2 2.84Å; T1184-N1187 PolarHBondContact O-N 3.33Å; T1184-N1187 VanDerWaalsContact O-N 3.16Å; N1187-S1191 WeakPolarHBondContact O-CB 3.4Å; N1187-S1191 PolarHBondContact O-N 3.46Å |
| 1188 | E | 92.4 | Very high | 90.7 | Very high | 98 Ų | 98 | 103 Ų | 103 | 46% | 0.458 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 175.1 | -85.6 | -161.8 | -150.9 | 0 | 0 | 112.6 | T1184 Q1185 S1191 K1192 | T1184-E1188 PolarHBondContact O-N 3.49Å; Q1185-E1188 PolarHBondContact O-N 3.32Å; E1188-S1191 PolarHBondContact O-N 3.04Å; E1188-K1192 WeakPolarHBondContact O-CD 3.35Å; E1188-K1192 VanDerWaalsContact O-CG 3.28Å; E1188-K1192 WeakPolarHBondContact O-CG 3.5Å; E1188-K1192 PolarHBondContact O-N 3.35Å; E1188-K1192 IonicContact OE2-NZ 3.6Å; E1188-K1192 PolarHBondContact OE2-NZ 2.92Å |
| 1189 | T | 91.8 | Very high | 90.5 | Very high | 79 Ų | 79 | 102.5 Ų | 102.5 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.5 | -37.8 | 179.6 | 46.3 | 0 | 0 | 0 | 0 | 111.6 | Q1185 L1186 K1192 L1193 | Q1185-T1189 WeakPolarHBondContact O-CG2 3.45Å; Q1185-T1189 PolarHBondContact O-N 3.15Å; Q1185-T1189 PolarHBondContact O-OG1 2.86Å; L1186-T1189 WeakPolarHBondContact CA-OG1 3.41Å; L1186-T1189 PolarHBondContact O-N 3.09Å; L1186-T1189 PolarHBondContact O-OG1 2.9Å; L1186-T1189 VanDerWaalsContact O-OG1 3.06Å; T1189-K1192 PolarHBondContact O-N 2.94Å; T1189-L1193 WeakPolarHBondContact O-CB 3.38Å; T1189-L1193 PolarHBondContact O-N 3.28Å |
| 1190 | H | 89.2 | Confident | 90.2 | Very high | 123 Ų | 123 | 105.1 Ų | 105.1 | 57% | 0.569 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.9 | -40.4 | 170.6 | -169.2 | -37.7 | 0 | 0 | 0 | 112.2 | L1186 Q1194 | L1186-H1190 WeakPolarHBondContact O-CB 3.3Å; L1186-H1190 PolarHBondContact O-N 3.24Å; H1190-Q1194 VanDerWaalsContact O-CB 3.32Å; H1190-Q1194 WeakPolarHBondContact O-CB 3.3Å; H1190-Q1194 PolarHBondContact O-N 3.48Å |
| 1191 | S | 90.6 | Very high | 90 | Very high | 60 Ų | 60 | 103.3 Ų | 103.3 | 42% | 0.42 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 177.1 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | N1187 E1188 Q1194 N1195 | N1187-S1191 WeakPolarHBondContact O-CB 3.4Å; N1187-S1191 PolarHBondContact O-N 3.46Å; E1188-S1191 PolarHBondContact O-N 3.04Å; S1191-Q1194 PolarHBondContact O-N 3.14Å; S1191-N1195 VanDerWaalsContact O-CG 3.27Å; S1191-N1195 PolarHBondContact O-N 3.1Å; S1191-N1195 PolarHBondContact O-ND2 3.41Å |
| 1192 | K | 91.7 | Very high | 89.9 | Confident | 111 Ų | 111 | 103.5 Ų | 103.5 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.8 | -48.8 | 174.6 | -70.7 | 161 | -171.1 | 164.3 | 0 | 111.2 | E1188 T1189 Q1194 N1195 E1196 | E1188-K1192 WeakPolarHBondContact O-CD 3.35Å; E1188-K1192 VanDerWaalsContact O-CG 3.28Å; E1188-K1192 WeakPolarHBondContact O-CG 3.5Å; E1188-K1192 PolarHBondContact O-N 3.35Å; E1188-K1192 IonicContact OE2-NZ 3.6Å; E1188-K1192 PolarHBondContact OE2-NZ 2.92Å; T1189-K1192 PolarHBondContact O-N 2.94Å; K1192-Q1194 VanDerWaalsContact C-N 3.33Å; K1192-Q1194 PolarHBondContact O-N 3.19Å; K1192-N1195 PolarHBondContact O-N 3.09Å; K1192-E1196 PolarHBondContact O-N 3.35Å |
| 1193 | L | 90 | Very high | 89.7 | Confident | 100 Ų | 100 | 102.5 Ų | 102.5 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 176.9 | -177 | 63.8 | 0 | 0 | 0 | 112.6 | T1189 E1196 Q1197 | T1189-L1193 WeakPolarHBondContact O-CB 3.38Å; T1189-L1193 PolarHBondContact O-N 3.28Å; L1193-E1196 PolarHBondContact O-N 3.04Å; L1193-Q1197 WeakPolarHBondContact O-CB 3.24Å; L1193-Q1197 PolarHBondContact O-N 3.47Å |
| 1194 | Q | 90.8 | Very high | 89.5 | Confident | 112 Ų | 112 | 98.6 Ų | 98.6 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 176 | 179.9 | 173.5 | -32.6 | 0 | 0 | 112 | H1190 S1191 K1192 Q1197 T1198 | H1190-Q1194 VanDerWaalsContact O-CB 3.32Å; H1190-Q1194 WeakPolarHBondContact O-CB 3.3Å; H1190-Q1194 PolarHBondContact O-N 3.48Å; S1191-Q1194 PolarHBondContact O-N 3.14Å; K1192-Q1194 VanDerWaalsContact C-N 3.33Å; K1192-Q1194 PolarHBondContact O-N 3.19Å; Q1194-Q1197 WeakPolarHBondContact O-CB 3.29Å; Q1194-Q1197 PolarHBondContact O-N 2.72Å; Q1194-T1198 PolarHBondContact O-N 3.5Å; Q1194-T1198 PolarHBondContact O-OG1 3.44Å |
| 1195 | N | 89.2 | Confident | 89.2 | Confident | 91 Ų | 91 | 99.1 Ų | 99.1 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 176.1 | -66.8 | -22.5 | 0 | 0 | 0 | 111.1 | S1191 K1192 Q1197 T1198 E1199 | S1191-N1195 VanDerWaalsContact O-CG 3.27Å; S1191-N1195 PolarHBondContact O-N 3.1Å; S1191-N1195 PolarHBondContact O-ND2 3.41Å; K1192-N1195 PolarHBondContact O-N 3.09Å; N1195-Q1197 VanDerWaalsContact C-N 3.33Å; N1195-Q1197 PolarHBondContact O-N 3.32Å; N1195-T1198 WeakPolarHBondContact CA-OG1 3.47Å; N1195-T1198 PolarHBondContact O-N 2.85Å; N1195-T1198 VanDerWaalsContact O-N 3.16Å; N1195-T1198 PolarHBondContact O-OG1 2.93Å; N1195-E1199 PolarHBondContact O-N 2.85Å |
| 1196 | E | 88.8 | Confident | 89 | Confident | 94 Ų | 94 | 98.1 Ų | 98.1 | 44% | 0.439 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.6 | -44 | 171 | -77.2 | -174.1 | -127.2 | 0 | 0 | 112.2 | K1192 L1193 T1198 E1199 R1200 | K1192-E1196 PolarHBondContact O-N 3.35Å; L1193-E1196 PolarHBondContact O-N 3.04Å; E1196-T1198 VanDerWaalsContact C-N 3.27Å; E1196-T1198 PolarHBondContact O-N 3.2Å; E1196-E1199 PolarHBondContact O-N 3.11Å; E1196-R1200 VanDerWaalsContact O-CB 3.31Å; E1196-R1200 WeakPolarHBondContact O-CB 3.45Å; E1196-R1200 WeakPolarHBondContact O-CG 3.3Å; E1196-R1200 PolarHBondContact O-N 2.75Å; E1196-R1200 IonicContact OE2-CZ 2.66Å; E1196-R1200 IonicContact OE2-NE 2.66Å; E1196-R1200 IonicContact OE2-NH2 3.66Å; E1196-R1200 PolarHBondContact OE2-NH2 3.28Å |
| 1197 | Q | 86.2 | Confident | 88.8 | Confident | 127 Ų | 127 | 98 Ų | 98 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.7 | -39.2 | 176.9 | -167.4 | 82.5 | -1 | 0 | 0 | 111.4 | L1193 Q1194 N1195 K1201 | L1193-Q1197 WeakPolarHBondContact O-CB 3.24Å; L1193-Q1197 PolarHBondContact O-N 3.47Å; Q1194-Q1197 WeakPolarHBondContact O-CB 3.29Å; Q1194-Q1197 PolarHBondContact O-N 2.72Å; N1195-Q1197 VanDerWaalsContact C-N 3.33Å; N1195-Q1197 PolarHBondContact O-N 3.32Å; Q1197-K1201 WeakPolarHBondContact O-CB 3.49Å; Q1197-K1201 PolarHBondContact O-N 3.18Å; Q1197-K1201 VanDerWaalsContact O-N 3.14Å |
| 1198 | T | 89.1 | Confident | 88.6 | Confident | 77 Ų | 77 | 98.6 Ų | 98.6 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.8 | -40.6 | 176.9 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | Q1194 N1195 E1196 K1201 K1202 | Q1194-T1198 PolarHBondContact O-N 3.5Å; Q1194-T1198 PolarHBondContact O-OG1 3.44Å; N1195-T1198 WeakPolarHBondContact CA-OG1 3.47Å; N1195-T1198 PolarHBondContact O-N 2.85Å; N1195-T1198 VanDerWaalsContact O-N 3.16Å; N1195-T1198 PolarHBondContact O-OG1 2.93Å; E1196-T1198 VanDerWaalsContact C-N 3.27Å; E1196-T1198 PolarHBondContact O-N 3.2Å; T1198-K1201 PolarHBondContact O-N 3.4Å; T1198-K1202 WeakPolarHBondContact O-CB 3.47Å; T1198-K1202 PolarHBondContact O-N 2.96Å |
| 1199 | E | 89.5 | Confident | 88.4 | Confident | 93 Ų | 93 | 99.3 Ų | 99.3 | 44% | 0.435 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.6 | -40.8 | 177 | -76.2 | -62.6 | 147.7 | 0 | 0 | 111.8 | N1195 E1196 K1201 K1202 V1203 | N1195-E1199 PolarHBondContact O-N 2.85Å; E1196-E1199 PolarHBondContact O-N 3.11Å; E1199-K1201 VanDerWaalsContact C-N 3.26Å; E1199-K1201 PolarHBondContact O-N 2.65Å; E1199-K1202 PolarHBondContact O-N 3.33Å; E1199-K1202 VanDerWaalsContact O-N 3.13Å; E1199-K1202 IonicContact OE1-NZ 3.81Å; E1199-K1202 PolarHBondContact OE1-NZ 2.71Å; E1199-K1202 IonicContact OE2-NZ 2.62Å; E1199-K1202 PolarHBondContact OE2-NZ 3.01Å; E1199-V1203 WeakPolarHBondContact O-CG2 3.27Å; E1199-V1203 PolarHBondContact O-N 3.12Å |
| 1200 | R | 84.2 | Confident | 87.9 | Confident | 152 Ų | 152 | 98.2 Ų | 98.2 | 57% | 0.574 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -57 | -39.2 | 171 | -70.2 | 171.5 | -167.8 | -156.3 | 6.8 | 111.8 | E1196 A1204 | E1196-R1200 VanDerWaalsContact O-CB 3.31Å; E1196-R1200 WeakPolarHBondContact O-CB 3.45Å; E1196-R1200 WeakPolarHBondContact O-CG 3.3Å; E1196-R1200 PolarHBondContact O-N 2.75Å; E1196-R1200 IonicContact OE2-CZ 2.66Å; E1196-R1200 IonicContact OE2-NE 2.66Å; E1196-R1200 IonicContact OE2-NH2 3.66Å; E1196-R1200 PolarHBondContact OE2-NH2 3.28Å; R1200-A1204 WeakPolarHBondContact O-CB 3.34Å; R1200-A1204 PolarHBondContact O-N 3.31Å; R1200-A1204 VanDerWaalsContact O-N 3.08Å |
| 1201 | K | 85.9 | Confident | 87.4 | Confident | 137 Ų | 137 | 97.1 Ų | 97.1 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.6 | -46 | 174.5 | -176.2 | -179.7 | 174.9 | -175.4 | 0 | 111.9 | Q1197 T1198 E1199 V1203 A1204 D1205 | Q1197-K1201 WeakPolarHBondContact O-CB 3.49Å; Q1197-K1201 PolarHBondContact O-N 3.18Å; Q1197-K1201 VanDerWaalsContact O-N 3.14Å; T1198-K1201 PolarHBondContact O-N 3.4Å; E1199-K1201 VanDerWaalsContact C-N 3.26Å; E1199-K1201 PolarHBondContact O-N 2.65Å; K1201-V1203 PolarHBondContact O-N 2.8Å; K1201-A1204 WeakPolarHBondContact O-CB 3.12Å; K1201-A1204 PolarHBondContact O-N 3.12Å; K1201-A1204 VanDerWaalsContact O-N 3.12Å; K1201-D1205 PolarHBondContact O-N 3.45Å |
| 1202 | K | 89.6 | Confident | 87.2 | Confident | 102 Ų | 102 | 99.6 Ų | 99.6 | 44% | 0.443 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | 177.6 | 172.6 | 172 | 152 | -124.2 | 0 | 112 | T1198 E1199 A1204 D1205 D1206 | T1198-K1202 WeakPolarHBondContact O-CB 3.47Å; T1198-K1202 PolarHBondContact O-N 2.96Å; E1199-K1202 PolarHBondContact O-N 3.33Å; E1199-K1202 VanDerWaalsContact O-N 3.13Å; E1199-K1202 IonicContact OE1-NZ 3.81Å; E1199-K1202 PolarHBondContact OE1-NZ 2.71Å; E1199-K1202 IonicContact OE2-NZ 2.62Å; E1199-K1202 PolarHBondContact OE2-NZ 3.01Å; K1202-A1204 VanDerWaalsContact C-N 3.33Å; K1202-A1204 PolarHBondContact O-N 3.39Å; K1202-D1205 PolarHBondContact O-N 3.16Å; K1202-D1206 WeakPolarHBondContact O-CB 3.44Å; K1202-D1206 PolarHBondContact O-N 3.1Å |
| 1203 | V | 89.2 | Confident | 86.8 | Confident | 88 Ų | 88 | 97.7 Ų | 97.7 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 172.6 | 172 | 0 | 0 | 0 | 0 | 111.7 | E1199 K1201 L1207 | E1199-V1203 WeakPolarHBondContact O-CG2 3.27Å; E1199-V1203 PolarHBondContact O-N 3.12Å; K1201-V1203 PolarHBondContact O-N 2.8Å; V1203-L1207 VanDerWaalsContact O-CB 3.24Å; V1203-L1207 WeakPolarHBondContact O-CB 3.25Å; V1203-L1207 PolarHBondContact O-N 2.94Å |
| 1204 | A | 86.6 | Confident | 86.3 | Confident | 53 Ų | 53 | 97.8 Ų | 97.8 | 44% | 0.438 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -40.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R1200 K1201 K1202 H1208 | R1200-A1204 WeakPolarHBondContact O-CB 3.34Å; R1200-A1204 PolarHBondContact O-N 3.31Å; R1200-A1204 VanDerWaalsContact O-N 3.08Å; K1201-A1204 WeakPolarHBondContact O-CB 3.12Å; K1201-A1204 PolarHBondContact O-N 3.12Å; K1201-A1204 VanDerWaalsContact O-N 3.12Å; K1202-A1204 VanDerWaalsContact C-N 3.33Å; K1202-A1204 PolarHBondContact O-N 3.39Å; A1204-H1208 WeakPolarHBondContact O-CB 3.36Å; A1204-H1208 PolarHBondContact O-N 3.08Å |
| 1205 | D | 84.9 | Confident | 85.8 | Confident | 79 Ų | 79 | 97 Ų | 97 | 42% | 0.422 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 175.4 | -72.4 | -30 | 0 | 0 | 0 | 111.4 | K1201 K1202 H1208 K1209 | K1201-D1205 PolarHBondContact O-N 3.45Å; K1202-D1205 PolarHBondContact O-N 3.16Å; D1205-H1208 PolarHBondContact O-N 3.2Å; D1205-K1209 WeakPolarHBondContact O-CE 3.45Å; D1205-K1209 WeakPolarHBondContact O-CG 3.11Å; D1205-K1209 PolarHBondContact O-N 3.18Å; D1205-K1209 VanDerWaalsContact O-N 3.08Å |
| 1206 | D | 87.6 | Confident | 85.4 | Confident | 74 Ų | 74 | 95.2 Ų | 95.2 | 40% | 0.396 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -71.7 | -38.5 | 176.5 | -73.9 | -29.6 | 0 | 0 | 0 | 112.6 | K1202 H1208 K1209 A1210 | K1202-D1206 WeakPolarHBondContact O-CB 3.44Å; K1202-D1206 PolarHBondContact O-N 3.1Å; D1206-H1208 VanDerWaalsContact C-N 3.27Å; D1206-H1208 PolarHBondContact O-N 3.46Å; D1206-K1209 PolarHBondContact O-N 3.05Å; D1206-K1209 WeakPolarHBondContact OD1-CD 3.48Å; D1206-K1209 WeakPolarHBondContact OD1-CE 3.3Å; D1206-K1209 IonicContact OD1-NZ 3.93Å; D1206-K1209 PolarHBondContact OD1-NZ 2.62Å; D1206-A1210 PolarHBondContact O-N 2.86Å |
| 1207 | L | 88.1 | Confident | 84.8 | Confident | 112 Ų | 112 | 95.2 Ų | 95.2 | 59% | 0.586 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.1 | -39.5 | 169.4 | 179.4 | 62.7 | 0 | 0 | 0 | 111.2 | V1203 A1210 Q1211 | V1203-L1207 VanDerWaalsContact O-CB 3.24Å; V1203-L1207 WeakPolarHBondContact O-CB 3.25Å; V1203-L1207 PolarHBondContact O-N 2.94Å; L1207-A1210 PolarHBondContact O-N 2.83Å; L1207-Q1211 WeakPolarHBondContact O-CB 3.38Å; L1207-Q1211 PolarHBondContact O-N 2.94Å |
| 1208 | H | 84.6 | Confident | 84.2 | Confident | 109 Ų | 109 | 95 Ų | 95 | 51% | 0.505 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 176.1 | -166.9 | 78 | 0 | 0 | 0 | 112.3 | A1204 D1205 D1206 A1210 Q1211 Q1212 | A1204-H1208 WeakPolarHBondContact O-CB 3.36Å; A1204-H1208 PolarHBondContact O-N 3.08Å; D1205-H1208 PolarHBondContact O-N 3.2Å; D1206-H1208 VanDerWaalsContact C-N 3.27Å; D1206-H1208 PolarHBondContact O-N 3.46Å; H1208-A1210 VanDerWaalsContact C-N 3.34Å; H1208-A1210 PolarHBondContact O-N 2.6Å; H1208-Q1211 WeakPolarHBondContact O-CB 3.24Å; H1208-Q1211 PolarHBondContact O-N 2.94Å; H1208-Q1212 PolarHBondContact CD2-NE2 2.92Å; H1208-Q1212 PolarHBondContact NE2-NE2 3.47Å; H1208-Q1212 WeakPolarHBondContact O-CG 3.39Å; H1208-Q1212 PolarHBondContact O-N 3.3Å |
| 1209 | K | 87.9 | Confident | 83.5 | Confident | 113 Ų | 113 | 94.6 Ų | 94.6 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 172.7 | -64.7 | 163.3 | -151.5 | 164.1 | 0 | 111.9 | D1205 D1206 Q1212 S1213 | D1205-K1209 WeakPolarHBondContact O-CE 3.45Å; D1205-K1209 WeakPolarHBondContact O-CG 3.11Å; D1205-K1209 PolarHBondContact O-N 3.18Å; D1205-K1209 VanDerWaalsContact O-N 3.08Å; D1206-K1209 PolarHBondContact O-N 3.05Å; D1206-K1209 WeakPolarHBondContact OD1-CD 3.48Å; D1206-K1209 WeakPolarHBondContact OD1-CE 3.3Å; D1206-K1209 IonicContact OD1-NZ 3.93Å; D1206-K1209 PolarHBondContact OD1-NZ 2.62Å; K1209-Q1212 PolarHBondContact O-N 3.24Å; K1209-S1213 WeakPolarHBondContact O-CB 3.42Å; K1209-S1213 PolarHBondContact O-N 2.87Å; K1209-S1213 PolarHBondContact O-OG 3.33Å |
| 1210 | A | 83.3 | Confident | 82.8 | Confident | 55 Ų | 55 | 96.6 Ų | 96.6 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -44.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1206 L1207 H1208 Q1212 S1213 L1214 | D1206-A1210 PolarHBondContact O-N 2.86Å; L1207-A1210 PolarHBondContact O-N 2.83Å; H1208-A1210 VanDerWaalsContact C-N 3.34Å; H1208-A1210 PolarHBondContact O-N 2.6Å; A1210-Q1212 PolarHBondContact O-N 3.46Å; A1210-S1213 WeakPolarHBondContact O-CB 3.2Å; A1210-S1213 PolarHBondContact O-N 2.93Å; A1210-L1214 WeakPolarHBondContact O-CB 3.32Å; A1210-L1214 PolarHBondContact O-N 3.24Å |
| 1211 | Q | 78.4 | Confident | 82.1 | Confident | 100 Ų | 100 | 94.5 Ų | 94.5 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 176 | -160.1 | 77.3 | 11.7 | 0 | 0 | 112 | L1207 H1208 S1213 L1214 N1215 | L1207-Q1211 WeakPolarHBondContact O-CB 3.38Å; L1207-Q1211 PolarHBondContact O-N 2.94Å; H1208-Q1211 WeakPolarHBondContact O-CB 3.24Å; H1208-Q1211 PolarHBondContact O-N 2.94Å; Q1211-S1213 VanDerWaalsContact C-N 3.35Å; Q1211-L1214 PolarHBondContact O-N 2.87Å; Q1211-N1215 VanDerWaalsContact O-CG 3.24Å; Q1211-N1215 PolarHBondContact O-N 3.41Å; Q1211-N1215 PolarHBondContact O-ND2 3.44Å |
| 1212 | Q | 85.6 | Confident | 81.1 | Confident | 113 Ų | 113 | 90.9 Ų | 90.9 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 174.5 | -70.9 | -177 | 10.6 | 0 | 0 | 112 | H1208 K1209 A1210 N1215 S1216 | H1208-Q1212 PolarHBondContact CD2-NE2 2.92Å; H1208-Q1212 PolarHBondContact NE2-NE2 3.47Å; H1208-Q1212 WeakPolarHBondContact O-CG 3.39Å; H1208-Q1212 PolarHBondContact O-N 3.3Å; K1209-Q1212 PolarHBondContact O-N 3.24Å; A1210-Q1212 PolarHBondContact O-N 3.46Å; Q1212-N1215 PolarHBondContact O-N 3.32Å; Q1212-S1216 PolarHBondContact O-N 2.71Å |
| 1213 | S | 83.1 | Confident | 79.7 | Confident | 70 Ų | 70 | 91.9 Ų | 91.9 | 49% | 0.49 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 177.8 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | K1209 A1210 Q1211 S1216 I1217 | K1209-S1213 WeakPolarHBondContact O-CB 3.42Å; K1209-S1213 PolarHBondContact O-N 2.87Å; K1209-S1213 PolarHBondContact O-OG 3.33Å; A1210-S1213 WeakPolarHBondContact O-CB 3.2Å; A1210-S1213 PolarHBondContact O-N 2.93Å; Q1211-S1213 VanDerWaalsContact C-N 3.35Å; S1213-S1216 WeakPolarHBondContact O-CB 3.5Å; S1213-S1216 PolarHBondContact O-N 3.17Å; S1213-I1217 WeakPolarHBondContact O-CG1 3.4Å; S1213-I1217 PolarHBondContact O-N 2.75Å |
| 1214 | L | 80.6 | Confident | 78.1 | Confident | 103 Ų | 103 | 94.7 Ų | 94.7 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 174.3 | -170.5 | 74.5 | 0 | 0 | 0 | 111.4 | A1210 Q1211 S1216 I1217 H1218 | A1210-L1214 WeakPolarHBondContact O-CB 3.32Å; A1210-L1214 PolarHBondContact O-N 3.24Å; Q1211-L1214 PolarHBondContact O-N 2.87Å; L1214-S1216 VanDerWaalsContact C-N 3.33Å; L1214-S1216 PolarHBondContact O-N 3.21Å; L1214-I1217 PolarHBondContact O-N 3.32Å; L1214-H1218 PolarHBondContact O-N 2.9Å |
| 1215 | N | 80.4 | Confident | 76.6 | Confident | 95 Ų | 95 | 94.8 Ų | 94.8 | 51% | 0.508 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 176.2 | -70.4 | -18.7 | 0 | 0 | 0 | 112.2 | Q1211 Q1212 H1218 S1219 | Q1211-N1215 VanDerWaalsContact O-CG 3.24Å; Q1211-N1215 PolarHBondContact O-N 3.41Å; Q1211-N1215 PolarHBondContact O-ND2 3.44Å; Q1212-N1215 PolarHBondContact O-N 3.32Å; N1215-H1218 PolarHBondContact O-N 2.88Å; N1215-S1219 WeakPolarHBondContact O-CB 3.47Å; N1215-S1219 PolarHBondContact O-N 3.42Å |
| 1216 | S | 78.8 | Confident | 75.1 | Confident | 53 Ų | 53 | 93.9 Ų | 93.9 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 174.3 | -170.3 | 0 | 0 | 0 | 0 | 112.1 | Q1212 S1213 L1214 K1220 | Q1212-S1216 PolarHBondContact O-N 2.71Å; S1213-S1216 WeakPolarHBondContact O-CB 3.5Å; S1213-S1216 PolarHBondContact O-N 3.17Å; L1214-S1216 VanDerWaalsContact C-N 3.33Å; L1214-S1216 PolarHBondContact O-N 3.21Å; S1216-K1220 VanDerWaalsContact O-CG 3.31Å; S1216-K1220 WeakPolarHBondContact O-CG 3.42Å; S1216-K1220 PolarHBondContact O-N 3.35Å; S1216-K1220 VanDerWaalsContact O-N 3.1Å |
| 1217 | I | 77.9 | Confident | 73.4 | Confident | 95 Ų | 95 | 92.3 Ų | 92.3 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.7 | -47.1 | 174.4 | -68.2 | 164 | 0 | 0 | 0 | 110.5 | S1213 L1214 S1219 K1220 I1221 | S1213-I1217 WeakPolarHBondContact O-CG1 3.4Å; S1213-I1217 PolarHBondContact O-N 2.75Å; L1214-I1217 PolarHBondContact O-N 3.32Å; I1217-S1219 VanDerWaalsContact C-N 3.33Å; I1217-S1219 PolarHBondContact O-N 3.4Å; I1217-K1220 PolarHBondContact O-N 2.95Å; I1217-I1221 HydrophobicContact CG2-CD1 3.79Å; I1217-I1221 HydrophobicContact CG2-CG1 4.46Å; I1217-I1221 WeakPolarHBondContact O-CG1 3.35Å; I1217-I1221 PolarHBondContact O-N 3.21Å |
| 1218 | H | 73 | Confident | 71.5 | Confident | 123 Ų | 123 | 92.2 Ų | 92.2 | 57% | 0.569 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -40.8 | 178.5 | -164.5 | -48.8 | 0 | 0 | 0 | 111.9 | L1214 N1215 I1221 S1222 | L1214-H1218 PolarHBondContact O-N 2.9Å; N1215-H1218 PolarHBondContact O-N 2.88Å; H1218-I1221 PolarHBondContact O-N 3.28Å; H1218-S1222 PolarHBondContact ND1-OG 2.98Å; H1218-S1222 PolarHBondContact O-N 2.99Å; H1218-S1222 PolarHBondContact O-OG 2.94Å; H1218-S1222 VanDerWaalsContact O-OG 3.13Å |
| 1219 | S | 74.4 | Confident | 69.6 | Low | 67 Ų | 67 | 92.2 Ų | 92.2 | 47% | 0.469 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 175.1 | -176 | 0 | 0 | 0 | 0 | 112.2 | N1215 I1217 S1222 L1223 | N1215-S1219 WeakPolarHBondContact O-CB 3.47Å; N1215-S1219 PolarHBondContact O-N 3.42Å; I1217-S1219 VanDerWaalsContact C-N 3.33Å; I1217-S1219 PolarHBondContact O-N 3.4Å; S1219-S1222 PolarHBondContact O-N 3.21Å; S1219-L1223 WeakPolarHBondContact O-CB 3.34Å; S1219-L1223 PolarHBondContact O-N 2.9Å |
| 1220 | K | 74.4 | Confident | 67.5 | Low | 136 Ų | 136 | 92.8 Ų | 92.8 | 59% | 0.591 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.3 | -38.3 | 174.6 | -71.4 | 166.5 | -177.3 | 172.1 | 0 | 112.7 | S1216 I1217 L1223 K1224 | S1216-K1220 VanDerWaalsContact O-CG 3.31Å; S1216-K1220 WeakPolarHBondContact O-CG 3.42Å; S1216-K1220 PolarHBondContact O-N 3.35Å; S1216-K1220 VanDerWaalsContact O-N 3.1Å; I1217-K1220 PolarHBondContact O-N 2.95Å; K1220-L1223 PolarHBondContact O-N 3.16Å; K1220-K1224 PolarHBondContact O-N 2.84Å |
| 1221 | I | 69.9 | Low | 65.6 | Low | 108 Ų | 108 | 96.3 Ų | 96.3 | 55% | 0.554 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.3 | -45.3 | 175 | -68.7 | 167.6 | 0 | 0 | 0 | 110.4 | I1217 H1218 L1223 K1224 A1225 | I1217-I1221 HydrophobicContact CG2-CD1 3.79Å; I1217-I1221 HydrophobicContact CG2-CG1 4.46Å; I1217-I1221 WeakPolarHBondContact O-CG1 3.35Å; I1217-I1221 PolarHBondContact O-N 3.21Å; H1218-I1221 PolarHBondContact O-N 3.28Å; I1221-L1223 PolarHBondContact O-N 3.04Å; I1221-K1224 PolarHBondContact O-N 3.45Å; I1221-A1225 PolarHBondContact O-N 2.84Å |
| 1222 | S | 64.1 | Low | 64 | Low | 61 Ų | 61 | 98.9 Ų | 98.9 | 43% | 0.427 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.2 | -40.4 | 176 | -62.7 | 0 | 0 | 0 | 0 | 112.7 | H1218 S1219 A1225 A1226 | H1218-S1222 PolarHBondContact ND1-OG 2.98Å; H1218-S1222 PolarHBondContact O-N 2.99Å; H1218-S1222 PolarHBondContact O-OG 2.94Å; H1218-S1222 VanDerWaalsContact O-OG 3.13Å; S1219-S1222 PolarHBondContact O-N 3.21Å; S1222-A1225 PolarHBondContact O-N 3.32Å; S1222-A1226 WeakPolarHBondContact O-CB 3.21Å; S1222-A1226 PolarHBondContact O-N 3.03Å |
| 1223 | L | 59.9 | Low | 61.6 | Low | 122 Ų | 122 | 101.6 Ų | 101.6 | 64% | 0.639 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.6 | -39.7 | 173.3 | -91.1 | 160.4 | 0 | 0 | 0 | 112.6 | S1219 K1220 I1221 A1226 G1227 | S1219-L1223 WeakPolarHBondContact O-CB 3.34Å; S1219-L1223 PolarHBondContact O-N 2.9Å; K1220-L1223 PolarHBondContact O-N 3.16Å; I1221-L1223 PolarHBondContact O-N 3.04Å; L1223-A1226 PolarHBondContact O-N 3.28Å; L1223-G1227 PolarHBondContact O-N 3.46Å; L1223-G1227 VanDerWaalsContact O-N 3.1Å |
| 1224 | K | 57.5 | Low | 59.1 | Low | 148 Ų | 148 | 105 Ų | 105 | 64% | 0.643 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68 | -45.7 | 177 | -167.9 | 175.4 | -179.9 | -176.3 | 0 | 111.9 | K1220 I1221 A1226 G1227 D1228 | K1220-K1224 PolarHBondContact O-N 2.84Å; I1221-K1224 PolarHBondContact O-N 3.45Å; K1224-A1226 VanDerWaalsContact C-N 3.28Å; K1224-A1226 PolarHBondContact O-N 2.81Å; K1224-G1227 PolarHBondContact O-N 2.98Å; K1224-D1228 PolarHBondContact O-N 3.49Å; K1224-D1228 VanDerWaalsContact O-N 3.13Å |
| 1225 | A | 54.7 | Low | 56.9 | Low | 55 Ų | 55 | 105.7 Ų | 105.7 | 46% | 0.455 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -59.8 | -36.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1221 S1222 T1229 | I1221-A1225 PolarHBondContact O-N 2.84Å; S1222-A1225 PolarHBondContact O-N 3.32Å; A1225-T1229 PolarHBondContact O-OG1 3.5Å |
| 1226 | A | 53.1 | Low | 54.8 | Low | 59 Ų | 59 | 108.5 Ų | 108.5 | 49% | 0.488 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.1 | -37.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1222 L1223 K1224 T1229 | S1222-A1226 WeakPolarHBondContact O-CB 3.21Å; S1222-A1226 PolarHBondContact O-N 3.03Å; L1223-A1226 PolarHBondContact O-N 3.28Å; K1224-A1226 VanDerWaalsContact C-N 3.28Å; K1224-A1226 PolarHBondContact O-N 2.81Å; A1226-T1229 PolarHBondContact O-N 2.85Å |
| 1227 | G | 52.1 | Low | 52.6 | Low | 42 Ų | 42 | 114.3 Ų | 114.3 | 43% | 0.433 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -62.8 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1223 K1224 T1229 V1230 | L1223-G1227 PolarHBondContact O-N 3.46Å; L1223-G1227 VanDerWaalsContact O-N 3.1Å; K1224-G1227 PolarHBondContact O-N 2.98Å; G1227-T1229 PolarHBondContact O-N 3.05Å; G1227-T1229 VanDerWaalsContact O-N 3.14Å; G1227-V1230 PolarHBondContact O-N 3.15Å |
| 1228 | D | 47.6 | Very low | 50.5 | Low | 109 Ų | 109 | 114.7 Ų | 114.7 | 58% | 0.583 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -7.4 | -179.6 | -63.8 | -27.7 | 0 | 0 | 0 | 113.3 | K1224 | K1224-D1228 PolarHBondContact O-N 3.49Å; K1224-D1228 VanDerWaalsContact O-N 3.13Å |
| 1229 | T | 45.3 | Very low | 49.6 | Very low | 110 Ų | 110 | 114 Ų | 114 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -11.3 | -178 | -54.2 | 0 | 0 | 0 | 0 | 113.7 | A1225 A1226 G1227 | A1225-T1229 PolarHBondContact O-OG1 3.5Å; A1226-T1229 PolarHBondContact O-N 2.85Å; G1227-T1229 PolarHBondContact O-N 3.05Å; G1227-T1229 VanDerWaalsContact O-N 3.14Å |
| 1230 | V | 43.5 | Very low | 47.7 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 76% | 0.758 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -103.2 | -1.9 | -168.3 | -175.6 | 0 | 0 | 0 | 0 | 113.8 | G1227 | G1227-V1230 PolarHBondContact O-N 3.15Š|
| 1231 | V | 43.7 | Very low | 45.8 | Very low | 129 Ų | 129 | 121.9 Ų | 121.9 | 78% | 0.782 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -118.9 | 32.3 | -170.2 | -156.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1232 | I | 44.5 | Very low | 44.7 | Very low | 153 Ų | 153 | 126.3 Ų | 126.3 | 79% | 0.785 | 71% | 0.709 | S | S | * | * | trans | -130.8 | 86.7 | 175.3 | -51.5 | -179 | 0 | 0 | 0 | 110.4 | ||||
| 1233 | E | 35.3 | Very low | 43.5 | Very low | 170 Ų | 170 | 127.7 Ų | 127.7 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | trans | -150.8 | 127.4 | 159.6 | -145.6 | 176.4 | -131.3 | 0 | 0 | 109.8 | ||||
| 1234 | N | 31.6 | Very low | 42.9 | Very low | 141 Ų | 141 | 126.8 Ų | 126.8 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 67.4 | 115 | -179 | -39.7 | -78.1 | 0 | 0 | 0 | 114.4 | ||
| 1235 | S | 34.1 | Very low | 42.4 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | cis | -157.2 | 162.2 | 31.9 | -51.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1236 | D | 35.5 | Very low | 42.1 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | trans | -67.4 | 146.8 | 177.5 | -61.3 | -83.8 | 0 | 0 | 0 | 115.1 | ||||
| 1237 | I | 32.8 | Very low | 41.9 | Very low | 175 Ų | 175 | 137 Ų | 137 | 90% | 0.897 | 75% | 0.748 | S | S | * | * | -176.2 | 158.6 | 118 | -92 | 157.1 | 0 | 0 | 0 | 109.6 | |||||
| 1238 | S | 33 | Very low | 41.9 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -125 | 169.5 | -165.7 | -165.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1239 | P | 55.3 | Low | 42.1 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | cis | -122.4 | -150.7 | -31.6 | 27 | -3.8 | 0 | 0 | 0 | 111.1 | ||||
| 1240 | E | 33.9 | Very low | 42.6 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 84% | 0.841 | 75% | 0.747 | S | S | * | * | trans | 70.5 | 90.3 | 167 | -61 | -168.4 | 136.3 | 0 | 0 | 118.8 | ||||
| 1241 | M | 33.7 | Very low | 43.3 | Very low | 187 Ų | 187 | 136.6 Ų | 136.6 | 92% | 0.921 | 74% | 0.736 | S | S | * | * | -170.9 | 150.5 | 105.4 | -97.9 | -161.4 | -63.4 | 0 | 0 | 111.1 | |||||
| 1242 | E | 47.2 | Very low | 43.9 | Very low | 201 Ų | 201 | 133.7 Ų | 133.7 | 94% | 0.939 | 72% | 0.721 | S | S | * | * | trans | -76.6 | 143.6 | 173.4 | -63.1 | 178.4 | 123.8 | 0 | 0 | 111 | ||||
| 1243 | S | 38.8 | Very low | 44.7 | Very low | 90 Ų | 90 | 132 Ų | 132 | 63% | 0.629 | 71% | 0.712 | S | S | * | * | trans | -132.7 | 142.5 | 170.8 | 61.5 | 0 | 0 | 0 | 0 | 110.9 | E1245 | S1243-E1245 VanDerWaalsContact C-N 3.31Å; S1243-E1245 PolarHBondContact O-N 2.9Å | ||
| 1244 | P | 47.5 | Very low | 46.1 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 2.2 | -162.3 | 32.3 | -37.2 | 0 | 0 | 0 | 115.3 | K1246 E1247 | P1244-K1246 VanDerWaalsContact C-N 3.31Å; P1244-K1246 PolarHBondContact O-N 2.88Å; P1244-E1247 PolarHBondContact O-N 2.91Å |
| 1245 | E | 47.7 | Very low | 48 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 67% | 0.673 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -77 | -12.9 | -168.3 | -59.5 | -171.3 | 139.2 | 0 | 0 | 114.5 | S1243 T1248 M1249 | S1243-E1245 VanDerWaalsContact C-N 3.31Å; S1243-E1245 PolarHBondContact O-N 2.9Å; E1245-T1248 PolarHBondContact O-OG1 3.4Å; E1245-M1249 PolarHBondContact O-N 3.38Å |
| 1246 | K | 48.1 | Very low | 49.7 | Very low | 186 Ų | 186 | 125 Ų | 125 | 81% | 0.809 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -78.2 | -28.8 | 174 | -79 | -175.9 | 176.6 | 175.5 | 0 | 113.4 | P1244 S1250 | P1244-K1246 VanDerWaalsContact C-N 3.31Å; P1244-K1246 PolarHBondContact O-N 2.88Å; K1246-S1250 WeakPolarHBondContact O-CB 3.45Å; K1246-S1250 PolarHBondContact O-N 2.63Å; K1246-S1250 PolarHBondContact O-OG 3.15Å |
| 1247 | E | 49.8 | Very low | 51.4 | Low | 146 Ų | 146 | 120.7 Ų | 120.7 | 68% | 0.682 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.1 | -39.5 | 174.8 | -74.6 | -163.7 | 126.2 | 0 | 0 | 111.9 | P1244 M1249 S1250 V1251 | P1244-E1247 PolarHBondContact O-N 2.91Å; E1247-M1249 VanDerWaalsContact C-N 3.34Å; E1247-M1249 PolarHBondContact O-N 3.43Å; E1247-S1250 PolarHBondContact O-N 3.21Å; E1247-S1250 PolarHBondContact O-OG 3.48Å; E1247-S1250 VanDerWaalsContact O-OG 3.1Å; E1247-V1251 WeakPolarHBondContact O-CB 3.37Å; E1247-V1251 VanDerWaalsContact O-CG2 3.29Å; E1247-V1251 WeakPolarHBondContact O-CG2 3.4Å; E1247-V1251 PolarHBondContact O-N 2.84Å |
| 1248 | T | 51.2 | Low | 53.3 | Low | 93 Ų | 93 | 115.9 Ų | 115.9 | 57% | 0.571 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.7 | -38.5 | 178.5 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | E1245 S1252 | E1245-T1248 PolarHBondContact O-OG1 3.4Å; T1248-S1252 VanDerWaalsContact O-CB 3.23Å; T1248-S1252 WeakPolarHBondContact O-CB 3.35Å; T1248-S1252 PolarHBondContact O-N 3.46Å |
| 1249 | M | 52 | Low | 55.1 | Low | 146 Ų | 146 | 116.3 Ų | 116.3 | 72% | 0.719 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -70.9 | -36.3 | 172.4 | -74.8 | -139.8 | -69.1 | 0 | 0 | 113.5 | E1245 E1247 L1253 | E1245-M1249 PolarHBondContact O-N 3.38Å; E1247-M1249 VanDerWaalsContact C-N 3.34Å; E1247-M1249 PolarHBondContact O-N 3.43Å; M1249-L1253 WeakPolarHBondContact O-CB 3.18Å; M1249-L1253 PolarHBondContact O-N 3Å |
| 1250 | S | 55.5 | Low | 55.9 | Low | 53 Ų | 53 | 116.4 Ų | 116.4 | 37% | 0.371 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.8 | -38.8 | 177.6 | 75.8 | 0 | 0 | 0 | 0 | 112.1 | K1246 E1247 L1253 N1254 | K1246-S1250 WeakPolarHBondContact O-CB 3.45Å; K1246-S1250 PolarHBondContact O-N 2.63Å; K1246-S1250 PolarHBondContact O-OG 3.15Å; E1247-S1250 PolarHBondContact O-N 3.21Å; E1247-S1250 PolarHBondContact O-OG 3.48Å; E1247-S1250 VanDerWaalsContact O-OG 3.1Å; S1250-L1253 PolarHBondContact O-N 2.97Å; S1250-N1254 WeakPolarHBondContact O-CB 3.37Å; S1250-N1254 VanDerWaalsContact O-CG 3.26Å; S1250-N1254 PolarHBondContact O-N 3.33Å; S1250-N1254 PolarHBondContact O-ND2 2.91Å; S1250-N1254 VanDerWaalsContact O-ND2 3.09Å |
| 1251 | V | 58.4 | Low | 57.7 | Low | 86 Ų | 86 | 113.9 Ų | 113.9 | 52% | 0.521 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.6 | -47.3 | 172.1 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | E1247 L1253 N1254 Q1255 | E1247-V1251 WeakPolarHBondContact O-CB 3.37Å; E1247-V1251 VanDerWaalsContact O-CG2 3.29Å; E1247-V1251 WeakPolarHBondContact O-CG2 3.4Å; E1247-V1251 PolarHBondContact O-N 2.84Å; V1251-L1253 VanDerWaalsContact C-N 3.35Å; V1251-L1253 PolarHBondContact O-N 3.2Å; V1251-N1254 PolarHBondContact O-N 3.31Å; V1251-Q1255 VanDerWaalsContact O-CB 3.23Å; V1251-Q1255 WeakPolarHBondContact O-CB 3.35Å; V1251-Q1255 PolarHBondContact O-N 3Å |
| 1252 | S | 57.1 | Low | 59.6 | Low | 67 Ų | 67 | 110.9 Ų | 110.9 | 47% | 0.469 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -56.8 | -46.5 | 175.8 | 175 | 0 | 0 | 0 | 0 | 112.2 | T1248 Q1255 T1256 | T1248-S1252 VanDerWaalsContact O-CB 3.23Å; T1248-S1252 WeakPolarHBondContact O-CB 3.35Å; T1248-S1252 PolarHBondContact O-N 3.46Å; S1252-Q1255 PolarHBondContact O-N 3.11Å; S1252-T1256 PolarHBondContact O-N 3.41Å; S1252-T1256 PolarHBondContact O-OG1 3.32Å |
| 1253 | L | 60.3 | Low | 60.9 | Low | 117 Ų | 117 | 106 Ų | 106 | 61% | 0.613 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.3 | -44.8 | 179.9 | -160.6 | 74.7 | 0 | 0 | 0 | 111.7 | M1249 S1250 V1251 Q1255 T1256 V1257 | M1249-L1253 WeakPolarHBondContact O-CB 3.18Å; M1249-L1253 PolarHBondContact O-N 3Å; S1250-L1253 PolarHBondContact O-N 2.97Å; V1251-L1253 VanDerWaalsContact C-N 3.35Å; V1251-L1253 PolarHBondContact O-N 3.2Å; L1253-Q1255 VanDerWaalsContact C-N 3.31Å; L1253-Q1255 PolarHBondContact O-N 3Å; L1253-T1256 PolarHBondContact O-N 3.44Å; L1253-V1257 WeakPolarHBondContact O-CG2 3.43Å; L1253-V1257 PolarHBondContact O-N 3.18Å |
| 1254 | N | 65.7 | Low | 62.5 | Low | 100 Ų | 100 | 107.1 Ų | 107.1 | 54% | 0.535 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.3 | -38 | 175.6 | -75.6 | -34 | 0 | 0 | 0 | 112 | S1250 V1251 V1257 T1258 | S1250-N1254 WeakPolarHBondContact O-CB 3.37Å; S1250-N1254 VanDerWaalsContact O-CG 3.26Å; S1250-N1254 PolarHBondContact O-N 3.33Å; S1250-N1254 PolarHBondContact O-ND2 2.91Å; S1250-N1254 VanDerWaalsContact O-ND2 3.09Å; V1251-N1254 PolarHBondContact O-N 3.31Å; N1254-V1257 PolarHBondContact O-N 3.45Å; N1254-T1258 WeakPolarHBondContact O-CB 3.38Å; N1254-T1258 PolarHBondContact O-N 2.75Å; N1254-T1258 PolarHBondContact O-OG1 2.68Å |
| 1255 | Q | 69.8 | Low | 63.6 | Low | 119 Ų | 119 | 108.1 Ų | 108.1 | 56% | 0.556 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.3 | -38.3 | 176.9 | -163.3 | 168 | 25.2 | 0 | 0 | 111.8 | V1251 S1252 L1253 T1258 Q1259 | V1251-Q1255 VanDerWaalsContact O-CB 3.23Å; V1251-Q1255 WeakPolarHBondContact O-CB 3.35Å; V1251-Q1255 PolarHBondContact O-N 3Å; S1252-Q1255 PolarHBondContact O-N 3.11Å; L1253-Q1255 VanDerWaalsContact C-N 3.31Å; L1253-Q1255 PolarHBondContact O-N 3Å; Q1255-T1258 PolarHBondContact O-N 3.01Å; Q1255-Q1259 WeakPolarHBondContact O-CG 3.36Å; Q1255-Q1259 PolarHBondContact O-N 3.34Å |
| 1256 | T | 71.6 | Confident | 64.8 | Low | 63 Ų | 63 | 106.8 Ų | 106.8 | 39% | 0.387 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.6 | -41.6 | 171.5 | -55.7 | 0 | 0 | 0 | 0 | 112 | S1252 L1253 T1258 Q1259 L1260 | S1252-T1256 PolarHBondContact O-N 3.41Å; S1252-T1256 PolarHBondContact O-OG1 3.32Å; L1253-T1256 PolarHBondContact O-N 3.44Å; T1256-T1258 VanDerWaalsContact C-N 3.31Å; T1256-T1258 PolarHBondContact O-N 2.91Å; T1256-Q1259 PolarHBondContact O-N 3.02Å; T1256-L1260 HydrophobicContact CG2-CD1 4.3Å; T1256-L1260 WeakPolarHBondContact O-CG 3.48Å; T1256-L1260 PolarHBondContact O-N 2.83Å |
| 1257 | V | 70.9 | Confident | 65.9 | Low | 66 Ų | 66 | 101.4 Ų | 101.4 | 40% | 0.4 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | 174.2 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | L1253 N1254 L1260 Q1261 | L1253-V1257 WeakPolarHBondContact O-CG2 3.43Å; L1253-V1257 PolarHBondContact O-N 3.18Å; N1254-V1257 PolarHBondContact O-N 3.45Å; V1257-L1260 PolarHBondContact O-N 3.22Å; V1257-Q1261 WeakPolarHBondContact O-CG 3.47Å; V1257-Q1261 PolarHBondContact O-N 3.47Å |
| 1258 | T | 71 | Confident | 66.6 | Low | 73 Ų | 73 | 98.7 Ų | 98.7 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 177.1 | -55 | 0 | 0 | 0 | 0 | 110.6 | N1254 Q1255 T1256 L1260 Q1261 Q1262 | N1254-T1258 WeakPolarHBondContact O-CB 3.38Å; N1254-T1258 PolarHBondContact O-N 2.75Å; N1254-T1258 PolarHBondContact O-OG1 2.68Å; Q1255-T1258 PolarHBondContact O-N 3.01Å; T1256-T1258 VanDerWaalsContact C-N 3.31Å; T1256-T1258 PolarHBondContact O-N 2.91Å; T1258-L1260 VanDerWaalsContact C-N 3.35Å; T1258-L1260 PolarHBondContact O-N 3.47Å; T1258-Q1261 PolarHBondContact O-N 3.07Å; T1258-Q1262 VanDerWaalsContact O-CB 3.3Å; T1258-Q1262 WeakPolarHBondContact O-CB 3.47Å; T1258-Q1262 PolarHBondContact O-N 3.42Å |
| 1259 | Q | 72.2 | Confident | 67.4 | Low | 112 Ų | 112 | 99.1 Ų | 99.1 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -40.6 | 174.5 | -74.9 | 174 | -15.9 | 0 | 0 | 112.5 | Q1255 T1256 Q1262 L1263 | Q1255-Q1259 WeakPolarHBondContact O-CG 3.36Å; Q1255-Q1259 PolarHBondContact O-N 3.34Å; T1256-Q1259 PolarHBondContact O-N 3.02Å; Q1259-Q1262 PolarHBondContact O-N 2.93Å; Q1259-L1263 WeakPolarHBondContact O-CB 3.39Å; Q1259-L1263 WeakPolarHBondContact O-CG 3.47Å; Q1259-L1263 PolarHBondContact O-N 3.2Å |
| 1260 | L | 72.7 | Confident | 67.9 | Low | 112 Ų | 112 | 98.1 Ų | 98.1 | 59% | 0.586 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.2 | -39.9 | 175.6 | -75.9 | 167.3 | 0 | 0 | 0 | 112.6 | T1256 V1257 T1258 Q1262 L1264 | T1256-L1260 HydrophobicContact CG2-CD1 4.3Å; T1256-L1260 WeakPolarHBondContact O-CG 3.48Å; T1256-L1260 PolarHBondContact O-N 2.83Å; V1257-L1260 PolarHBondContact O-N 3.22Å; T1258-L1260 VanDerWaalsContact C-N 3.35Å; T1258-L1260 PolarHBondContact O-N 3.47Å; L1260-Q1262 VanDerWaalsContact C-N 3.34Å; L1260-L1264 VanDerWaalsContact O-CB 3.3Å; L1260-L1264 WeakPolarHBondContact O-CB 3.46Å; L1260-L1264 PolarHBondContact O-N 2.79Å |
| 1261 | Q | 70.8 | Confident | 68.1 | Low | 126 Ų | 126 | 100.8 Ų | 100.8 | 59% | 0.589 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.1 | -39 | 172.9 | -75.1 | -176.7 | -46.2 | 0 | 0 | 111.9 | V1257 T1258 L1264 Q1265 | V1257-Q1261 WeakPolarHBondContact O-CG 3.47Å; V1257-Q1261 PolarHBondContact O-N 3.47Å; T1258-Q1261 PolarHBondContact O-N 3.07Å; Q1261-L1264 PolarHBondContact O-N 3.48Å; Q1261-Q1265 WeakPolarHBondContact O-CB 3.41Å; Q1261-Q1265 PolarHBondContact O-N 3.48Å |
| 1262 | Q | 73.8 | Confident | 67.9 | Low | 125 Ų | 125 | 101.4 Ų | 101.4 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.5 | -44.1 | 179.9 | -164.3 | 163.2 | 5.9 | 0 | 0 | 111.5 | T1258 Q1259 L1260 L1264 Q1265 E1266 | T1258-Q1262 VanDerWaalsContact O-CB 3.3Å; T1258-Q1262 WeakPolarHBondContact O-CB 3.47Å; T1258-Q1262 PolarHBondContact O-N 3.42Å; Q1259-Q1262 PolarHBondContact O-N 2.93Å; L1260-Q1262 VanDerWaalsContact C-N 3.34Å; Q1262-L1264 PolarHBondContact O-N 3.5Å; Q1262-Q1265 PolarHBondContact O-N 3.3Å; Q1262-E1266 WeakPolarHBondContact O-CB 3.38Å; Q1262-E1266 PolarHBondContact O-N 3.23Å |
| 1263 | L | 74.1 | Confident | 67.6 | Low | 99 Ų | 99 | 105.8 Ų | 105.8 | 52% | 0.518 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 170.4 | -77.8 | 167.1 | 0 | 0 | 0 | 112.2 | Q1259 Q1265 E1266 V1267 | Q1259-L1263 WeakPolarHBondContact O-CB 3.39Å; Q1259-L1263 WeakPolarHBondContact O-CG 3.47Å; Q1259-L1263 PolarHBondContact O-N 3.2Å; L1263-Q1265 VanDerWaalsContact C-N 3.29Å; L1263-Q1265 PolarHBondContact O-N 3.36Å; L1263-E1266 PolarHBondContact O-N 3.4Å; L1263-V1267 WeakPolarHBondContact O-CG2 3.49Å; L1263-V1267 PolarHBondContact O-N 3.08Å |
| 1264 | L | 71.9 | Confident | 66.8 | Low | 113 Ų | 113 | 108.9 Ų | 108.9 | 59% | 0.592 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65 | -34.5 | 177.1 | -168.9 | 70.8 | 0 | 0 | 0 | 111.9 | L1260 Q1261 Q1262 N1268 | L1260-L1264 VanDerWaalsContact O-CB 3.3Å; L1260-L1264 WeakPolarHBondContact O-CB 3.46Å; L1260-L1264 PolarHBondContact O-N 2.79Å; Q1261-L1264 PolarHBondContact O-N 3.48Å; Q1262-L1264 PolarHBondContact O-N 3.5Å; L1264-N1268 WeakPolarHBondContact O-CB 3.31Å; L1264-N1268 PolarHBondContact O-N 3.44Å; L1264-N1268 VanDerWaalsContact O-N 3.13Å; L1264-N1268 PolarHBondContact O-ND2 2.96Å |
| 1265 | Q | 71.1 | Confident | 65.5 | Low | 124 Ų | 124 | 112.3 Ų | 112.3 | 58% | 0.579 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -72.4 | -36.6 | 174.7 | -171.6 | 172.3 | 7.4 | 0 | 0 | 112 | Q1261 Q1262 L1263 N1268 Q1269 | Q1261-Q1265 WeakPolarHBondContact O-CB 3.41Å; Q1261-Q1265 PolarHBondContact O-N 3.48Å; Q1262-Q1265 PolarHBondContact O-N 3.3Å; L1263-Q1265 VanDerWaalsContact C-N 3.29Å; L1263-Q1265 PolarHBondContact O-N 3.36Å; Q1265-N1268 PolarHBondContact O-N 2.94Å; Q1265-Q1269 WeakPolarHBondContact O-CG 3.44Å; Q1265-Q1269 PolarHBondContact O-N 3.37Å |
| 1266 | E | 72 | Confident | 65.3 | Low | 117 Ų | 117 | 112 Ų | 112 | 55% | 0.547 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.4 | -42.7 | 177.2 | -163.8 | 160.5 | -129.4 | 0 | 0 | 111.6 | Q1262 L1263 N1268 Q1269 Q1270 | Q1262-E1266 WeakPolarHBondContact O-CB 3.38Å; Q1262-E1266 PolarHBondContact O-N 3.23Å; L1263-E1266 PolarHBondContact O-N 3.4Å; E1266-N1268 PolarHBondContact O-N 3.45Å; E1266-Q1269 CarbonylContact O-C 3.49Å; E1266-Q1269 PolarHBondContact O-N 3.3Å; E1266-Q1269 VanDerWaalsContact O-N 3.14Å; E1266-Q1270 PolarHBondContact O-N 2.94Å |
| 1267 | V | 71.9 | Confident | 64.9 | Low | 73 Ų | 73 | 114.6 Ų | 114.6 | 44% | 0.442 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.2 | -41 | 171.1 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | L1263 Q1269 Q1270 L1271 | L1263-V1267 WeakPolarHBondContact O-CG2 3.49Å; L1263-V1267 PolarHBondContact O-N 3.08Å; V1267-Q1269 VanDerWaalsContact C-N 3.32Å; V1267-Q1269 PolarHBondContact O-N 3.13Å; V1267-Q1270 PolarHBondContact O-N 2.96Å; V1267-L1271 HydrophobicContact CG1-CD1 4.38Å; V1267-L1271 PolarHBondContact O-N 3.1Å |
| 1268 | N | 63.7 | Low | 64.6 | Low | 89 Ų | 89 | 117.3 Ų | 117.3 | 48% | 0.476 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.5 | -33.2 | 173.5 | -85.4 | -74 | 0 | 0 | 0 | 112.6 | L1264 Q1265 E1266 L1271 T1272 | L1264-N1268 WeakPolarHBondContact O-CB 3.31Å; L1264-N1268 PolarHBondContact O-N 3.44Å; L1264-N1268 VanDerWaalsContact O-N 3.13Å; L1264-N1268 PolarHBondContact O-ND2 2.96Å; Q1265-N1268 PolarHBondContact O-N 2.94Å; E1266-N1268 PolarHBondContact O-N 3.45Å; N1268-L1271 PolarHBondContact O-N 3.41Å; N1268-T1272 PolarHBondContact O-N 3.12Å; N1268-T1272 PolarHBondContact O-OG1 2.91Å |
| 1269 | Q | 68 | Low | 64.2 | Low | 101 Ų | 101 | 119.9 Ų | 119.9 | 47% | 0.472 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -73.6 | -22.3 | 173.2 | -78.7 | -165.6 | 10.7 | 0 | 0 | 113.9 | Q1265 E1266 V1267 K1273 | Q1265-Q1269 WeakPolarHBondContact O-CG 3.44Å; Q1265-Q1269 PolarHBondContact O-N 3.37Å; E1266-Q1269 CarbonylContact O-C 3.49Å; E1266-Q1269 PolarHBondContact O-N 3.3Å; E1266-Q1269 VanDerWaalsContact O-N 3.14Å; V1267-Q1269 VanDerWaalsContact C-N 3.32Å; V1267-Q1269 PolarHBondContact O-N 3.13Å; Q1269-K1273 WeakPolarHBondContact O-CD 3.45Å; Q1269-K1273 VanDerWaalsContact O-CG 3.28Å; Q1269-K1273 WeakPolarHBondContact O-CG 3.45Å |
| 1270 | Q | 62.9 | Low | 63.7 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 58% | 0.584 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -74.5 | -48.5 | 167.5 | -73.1 | 178.7 | -38.6 | 0 | 0 | 110.4 | E1266 V1267 T1272 K1273 | E1266-Q1270 PolarHBondContact O-N 2.94Å; V1267-Q1270 PolarHBondContact O-N 2.96Å; Q1270-T1272 PolarHBondContact O-N 3.25Å; Q1270-K1273 PolarHBondContact O-N 3.43Å |
| 1271 | L | 59.7 | Low | 63.1 | Low | 110 Ų | 110 | 120.9 Ų | 120.9 | 58% | 0.576 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -58.1 | -30.6 | 176.9 | -104.6 | 74.3 | 0 | 0 | 0 | 114 | V1267 N1268 | V1267-L1271 HydrophobicContact CG1-CD1 4.38Å; V1267-L1271 PolarHBondContact O-N 3.1Å; N1268-L1271 PolarHBondContact O-N 3.41Å |
| 1272 | T | 54.1 | Low | 62.6 | Low | 99 Ų | 99 | 120.6 Ų | 120.6 | 61% | 0.607 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 11.7 | 177.1 | 45.6 | 0 | 0 | 0 | 0 | 114.3 | N1268 Q1270 | N1268-T1272 PolarHBondContact O-N 3.12Å; N1268-T1272 PolarHBondContact O-OG1 2.91Å; Q1270-T1272 PolarHBondContact O-N 3.25Å |
| 1273 | K | 50.3 | Low | 61.7 | Low | 159 Ų | 159 | 120.2 Ų | 120.2 | 69% | 0.691 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | -6.4 | 170.9 | -78.3 | 174.9 | -176.6 | 168.1 | 0 | 114 | Q1269 Q1270 | Q1269-K1273 WeakPolarHBondContact O-CD 3.45Å; Q1269-K1273 VanDerWaalsContact O-CG 3.28Å; Q1269-K1273 WeakPolarHBondContact O-CG 3.45Å; Q1270-K1273 PolarHBondContact O-N 3.43Å |
| 1274 | E | 44.3 | Very low | 60.7 | Low | 181 Ų | 181 | 122 Ų | 122 | 85% | 0.846 | 62% | 0.623 | S | S | * | * | trans | -114.3 | 24.9 | 178.5 | -61.9 | -172.3 | 145.2 | 0 | 0 | 112.2 | ||||
| 1275 | T | 38.6 | Very low | 59.7 | Low | 173 Ų | 173 | 122.8 Ų | 122.8 | 100% | 1.061 | 63% | 0.626 | S | S | * | * | trans | -125.6 | 0 | 169.5 | 59.4 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 1,275 of 1,275 residues in 703 ms
(Link to these results)