| 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 | 42.7 | Very low | 49.2 | Very low | 245 Ų | 245 | 140.8 Ų | 140.8 | 100% | 1.207 | 76% | 0.761 | S | S | * | * | 0 | 89.7 | 0 | -85.3 | 179.5 | 174.4 | 0 | 0 | 105.6 | |||||
| 2 | D | 37.6 | Very low | 51.7 | Low | 158 Ų | 158 | 134.8 Ų | 134.8 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | -69 | 149.6 | -176.5 | -65.3 | -62.8 | 0 | 0 | 0 | 111.8 | ||||
| 3 | S | 42.3 | Very low | 53.9 | Low | 104 Ų | 104 | 134.3 Ų | 134.3 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | 62.4 | 92.2 | 133.4 | -168 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 4 | N | 44.2 | Very low | 56 | Low | 138 Ų | 138 | 131.3 Ų | 131.3 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | -175.9 | 78.4 | 121.9 | -111.2 | -17.1 | 0 | 0 | 0 | 110 | |||||
| 5 | V | 48.6 | Very low | 58.1 | Low | 143 Ų | 143 | 133 Ų | 133 | 87% | 0.867 | 71% | 0.713 | S | S | * | * | trans | -98.2 | 61.6 | 152.2 | -175 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 6 | C | 42.9 | Very low | 59.9 | Low | 88 Ų | 88 | 130.8 Ų | 130.8 | 60% | 0.595 | 70% | 0.701 | S | S | * | * | trans | -108.4 | 133.2 | 166.4 | -166.3 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 7 | M | 46.4 | Very low | 61.6 | Low | 149 Ų | 149 | 129.9 Ų | 129.9 | 73% | 0.734 | 70% | 0.695 | S | S | * | * | trans | 95.2 | 47 | -178.7 | -47.6 | -65.1 | -159.8 | 0 | 0 | 117.7 | ||||
| 8 | I | 51.8 | Low | 63.2 | Low | 116 Ų | 116 | 126.1 Ų | 126.1 | 60% | 0.595 | 68% | 0.678 | S | S | * | * | trans | -127.7 | 40.6 | 154.2 | -46.8 | -178.8 | 0 | 0 | 0 | 109.4 | F11 | I8-F11 HydrophobicContact CG2-CD2 3.48Å; I8-F11 VanDerWaalsContact CG2-CD2 3.48Å; I8-F11 HydrophobicContact CG2-CE2 3.75Å | ||
| 9 | D | 53.6 | Low | 64.8 | Low | 151 Ų | 151 | 124.3 Ų | 124.3 | 81% | 0.807 | 66% | 0.664 | S | S | * | * | trans | -98.9 | -6.7 | 166 | -81.9 | -31.3 | 0 | 0 | 0 | 112 | F11 | D9-F11 VanDerWaalsContact C-N 3.26Å; D9-F11 PolarHBondContact O-N 3.14Å | ||
| 10 | D | 60.5 | Low | 66.2 | Low | 129 Ų | 129 | 125.3 Ų | 125.3 | 69% | 0.69 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 5.2 | -179.2 | -75.7 | -14.9 | 0 | 0 | 0 | 114.4 | ||
| 11 | F | 70.3 | Confident | 67.4 | Low | 128 Ų | 128 | 122.8 Ų | 122.8 | 56% | 0.561 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -5.1 | 176.4 | -77.8 | -82 | 0 | 0 | 0 | 113.9 | I8 D9 D13 L14 K15 | I8-F11 HydrophobicContact CG2-CD2 3.48Å; I8-F11 VanDerWaalsContact CG2-CD2 3.48Å; I8-F11 HydrophobicContact CG2-CE2 3.75Å; D9-F11 VanDerWaalsContact C-N 3.26Å; D9-F11 PolarHBondContact O-N 3.14Å; F11-D13 PolarHBondContact O-N 3.27Å; F11-L14 HydrophobicContact CD1-CB 4.37Å; F11-L14 HydrophobicContact CD1-CD2 3.73Å; F11-L14 HydrophobicContact CE1-CD2 3.98Å; F11-L14 PolarHBondContact O-N 3.5Å; F11-K15 PolarHBondContact O-N 3.42Å |
| 12 | S | 79.7 | Confident | 69.9 | Low | 68 Ų | 68 | 118.1 Ų | 118.1 | 48% | 0.476 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.5 | -44.6 | 178 | -162.1 | 0 | 0 | 0 | 0 | 111.4 | L14 K15 D16 | S12-L14 VanDerWaalsContact C-N 3.32Å; S12-L14 PolarHBondContact O-N 2.91Å; S12-K15 WeakPolarHBondContact O-CB 3.3Å; S12-K15 PolarHBondContact O-N 3.32Å; S12-K15 VanDerWaalsContact O-N 3.14Å; S12-D16 PolarHBondContact O-N 3.29Å |
| 13 | D | 80.5 | Confident | 72.6 | Confident | 129 Ų | 129 | 114.8 Ų | 114.8 | 69% | 0.69 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.7 | -40 | 177 | -69.6 | -13.3 | 0 | 0 | 0 | 111.8 | F11 K15 D16 L17 | F11-D13 PolarHBondContact O-N 3.27Å; D13-K15 VanDerWaalsContact C-N 3.35Å; D13-D16 PolarHBondContact O-N 2.86Å; D13-L17 VanDerWaalsContact O-CB 3.27Å; D13-L17 WeakPolarHBondContact O-CB 3.46Å; D13-L17 PolarHBondContact O-N 2.83Å |
| 14 | L | 83.4 | Confident | 75.1 | Confident | 92 Ų | 92 | 113.7 Ų | 113.7 | 48% | 0.482 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.4 | -39.9 | 176.2 | -173.7 | 67.4 | 0 | 0 | 0 | 111.2 | F11 S12 L17 V18 | F11-L14 HydrophobicContact CD1-CB 4.37Å; F11-L14 HydrophobicContact CD1-CD2 3.73Å; F11-L14 HydrophobicContact CE1-CD2 3.98Å; F11-L14 PolarHBondContact O-N 3.5Å; S12-L14 VanDerWaalsContact C-N 3.32Å; S12-L14 PolarHBondContact O-N 2.91Å; L14-L17 PolarHBondContact O-N 3.17Å; L14-V18 WeakPolarHBondContact O-CB 3.3Å; L14-V18 VanDerWaalsContact O-CG2 3.24Å; L14-V18 WeakPolarHBondContact O-CG2 3.32Å; L14-V18 PolarHBondContact O-N 2.92Å |
| 15 | K | 86.2 | Confident | 77.4 | Confident | 157 Ų | 157 | 113.5 Ų | 113.5 | 68% | 0.683 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66 | -44.6 | 177.8 | -173.1 | -178.3 | 177.1 | -173.2 | 0 | 111.5 | F11 S12 D13 L17 V18 E19 | F11-K15 PolarHBondContact O-N 3.42Å; S12-K15 WeakPolarHBondContact O-CB 3.3Å; S12-K15 PolarHBondContact O-N 3.32Å; S12-K15 VanDerWaalsContact O-N 3.14Å; D13-K15 VanDerWaalsContact C-N 3.35Å; K15-L17 VanDerWaalsContact C-N 3.31Å; K15-L17 PolarHBondContact O-N 3Å; K15-V18 PolarHBondContact O-N 2.86Å; K15-E19 PolarHBondContact O-N 3.3Å |
| 16 | D | 87.8 | Confident | 79.6 | Confident | 98 Ų | 98 | 109 Ų | 109 | 52% | 0.524 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.7 | -39.2 | 176.1 | -73.2 | -11.8 | 0 | 0 | 0 | 111.1 | S12 D13 E19 K20 | S12-D16 PolarHBondContact O-N 3.29Å; D13-D16 PolarHBondContact O-N 2.86Å; D16-E19 PolarHBondContact O-N 3.13Å; D16-K20 VanDerWaalsContact O-CB 3.27Å; D16-K20 WeakPolarHBondContact O-CB 3.33Å; D16-K20 PolarHBondContact O-N 3.15Å |
| 17 | L | 88.7 | Confident | 82.1 | Confident | 115 Ų | 115 | 110.1 Ų | 110.1 | 60% | 0.602 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65 | -41.2 | 174.8 | -163.8 | 78 | 0 | 0 | 0 | 112 | D13 L14 K15 K20 S21 | D13-L17 VanDerWaalsContact O-CB 3.27Å; D13-L17 WeakPolarHBondContact O-CB 3.46Å; D13-L17 PolarHBondContact O-N 2.83Å; L14-L17 PolarHBondContact O-N 3.17Å; K15-L17 VanDerWaalsContact C-N 3.31Å; K15-L17 PolarHBondContact O-N 3Å; L17-K20 PolarHBondContact O-N 3.22Å; L17-S21 WeakPolarHBondContact O-CB 3.47Å; L17-S21 PolarHBondContact O-N 3.37Å |
| 18 | V | 90.4 | Very high | 84.5 | Confident | 62 Ų | 62 | 106.3 Ų | 106.3 | 38% | 0.376 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.2 | -44.3 | 175.6 | 166.5 | 0 | 0 | 0 | 0 | 110.8 | L14 K15 S21 R22 | L14-V18 WeakPolarHBondContact O-CB 3.3Å; L14-V18 VanDerWaalsContact O-CG2 3.24Å; L14-V18 WeakPolarHBondContact O-CG2 3.32Å; L14-V18 PolarHBondContact O-N 2.92Å; K15-V18 PolarHBondContact O-N 2.86Å; V18-S21 WeakPolarHBondContact O-CB 3.41Å; V18-S21 PolarHBondContact O-N 2.87Å; V18-R22 WeakPolarHBondContact O-CG 3.43Å; V18-R22 PolarHBondContact O-N 2.9Å |
| 19 | E | 92.8 | Very high | 86.6 | Confident | 91 Ų | 91 | 107.3 Ų | 107.3 | 43% | 0.425 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67 | -41.7 | 178.8 | -164.6 | 63.2 | -165.6 | 0 | 0 | 111.4 | K15 D16 S21 R22 N23 | K15-E19 PolarHBondContact O-N 3.3Å; D16-E19 PolarHBondContact O-N 3.13Å; E19-S21 VanDerWaalsContact C-N 3.32Å; E19-S21 PolarHBondContact O-N 2.81Å; E19-R22 WeakPolarHBondContact O-CB 3.46Å; E19-R22 PolarHBondContact O-N 3.4Å; E19-R22 IonicContact OE2-NH1 3.53Å; E19-N23 PolarHBondContact O-N 3.1Å; E19-N23 PolarHBondContact O-ND2 3Å |
| 20 | K | 93.2 | Very high | 88.7 | Confident | 145 Ų | 145 | 104.5 Ų | 104.5 | 63% | 0.63 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.7 | -40.6 | 173.9 | -167.2 | 175 | -176.3 | 178.5 | 0 | 111.8 | D16 L17 R22 N23 V24 | D16-K20 VanDerWaalsContact O-CB 3.27Å; D16-K20 WeakPolarHBondContact O-CB 3.33Å; D16-K20 PolarHBondContact O-N 3.15Å; L17-K20 PolarHBondContact O-N 3.22Å; K20-R22 VanDerWaalsContact C-N 3.35Å; K20-N23 PolarHBondContact O-N 3.36Å; K20-V24 WeakPolarHBondContact O-CG2 3.26Å; K20-V24 PolarHBondContact O-N 2.77Å |
| 21 | S | 92.3 | Very high | 90.4 | Very high | 73 Ų | 73 | 104.4 Ų | 104.4 | 51% | 0.51 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 174.9 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | L17 V18 E19 V24 E25 | L17-S21 WeakPolarHBondContact O-CB 3.47Å; L17-S21 PolarHBondContact O-N 3.37Å; V18-S21 WeakPolarHBondContact O-CB 3.41Å; V18-S21 PolarHBondContact O-N 2.87Å; E19-S21 VanDerWaalsContact C-N 3.32Å; E19-S21 PolarHBondContact O-N 2.81Å; S21-V24 PolarHBondContact O-N 3.2Å; S21-E25 WeakPolarHBondContact O-CB 3.28Å; S21-E25 PolarHBondContact O-N 3.5Å |
| 22 | R | 94.5 | Very high | 91.6 | Very high | 147 Ų | 147 | 102.4 Ų | 102.4 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.6 | -40.9 | 176.7 | -76.5 | 176.3 | 177.2 | 165.7 | -2 | 112.5 | V18 E19 K20 E25 A26 | V18-R22 WeakPolarHBondContact O-CG 3.43Å; V18-R22 PolarHBondContact O-N 2.9Å; E19-R22 WeakPolarHBondContact O-CB 3.46Å; E19-R22 PolarHBondContact O-N 3.4Å; E19-R22 IonicContact OE2-NH1 3.53Å; K20-R22 VanDerWaalsContact C-N 3.35Å; R22-E25 PolarHBondContact O-N 3.02Å; R22-A26 PolarHBondContact O-N 2.78Å |
| 23 | N | 94.3 | Very high | 92.5 | Very high | 87 Ų | 87 | 105.5 Ų | 105.5 | 47% | 0.465 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.8 | -45.1 | 176.8 | -69.5 | -23.9 | 0 | 0 | 0 | 111.1 | E19 K20 E25 A26 D27 | E19-N23 PolarHBondContact O-N 3.1Å; E19-N23 PolarHBondContact O-ND2 3Å; K20-N23 PolarHBondContact O-N 3.36Å; N23-E25 VanDerWaalsContact C-N 3.31Å; N23-E25 PolarHBondContact O-N 2.97Å; N23-A26 PolarHBondContact O-N 3.02Å; N23-D27 PolarHBondContact O-N 3.5Å |
| 24 | V | 95.2 | Very high | 93.3 | Very high | 82 Ų | 82 | 105.1 Ų | 105.1 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 174.8 | 173 | 0 | 0 | 0 | 0 | 111.3 | K20 S21 D27 V28 | K20-V24 WeakPolarHBondContact O-CG2 3.26Å; K20-V24 PolarHBondContact O-N 2.77Å; S21-V24 PolarHBondContact O-N 3.2Å; V24-D27 PolarHBondContact O-N 2.76Å; V24-V28 HydrophobicContact CG1-CG2 4.25Å; V24-V28 WeakPolarHBondContact O-CB 3.28Å; V24-V28 VanDerWaalsContact O-CG2 3.23Å; V24-V28 WeakPolarHBondContact O-CG2 3.46Å; V24-V28 PolarHBondContact O-N 2.78Å |
| 25 | E | 93.2 | Very high | 93.9 | Very high | 134 Ų | 134 | 105.6 Ų | 105.6 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.3 | -42.1 | 176.3 | -171.9 | 178.7 | 178.4 | 0 | 0 | 111.8 | S21 R22 N23 F29 | S21-E25 WeakPolarHBondContact O-CB 3.28Å; S21-E25 PolarHBondContact O-N 3.5Å; R22-E25 PolarHBondContact O-N 3.02Å; N23-E25 VanDerWaalsContact C-N 3.31Å; N23-E25 PolarHBondContact O-N 2.97Å; E25-F29 WeakPolarHBondContact O-CB 3.47Å; E25-F29 PolarHBondContact O-N 2.91Å |
| 26 | A | 94.7 | Very high | 94.4 | Very high | 49 Ų | 49 | 102.7 Ų | 102.7 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.1 | -46.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R22 N23 V28 F29 D30 | R22-A26 PolarHBondContact O-N 2.78Å; N23-A26 PolarHBondContact O-N 3.02Å; A26-V28 PolarHBondContact O-N 3.38Å; A26-F29 WeakPolarHBondContact O-CB 3.34Å; A26-F29 PolarHBondContact O-N 2.78Å; A26-F29 VanDerWaalsContact O-N 3.16Å; A26-D30 PolarHBondContact O-N 2.99Å |
| 27 | D | 95.6 | Very high | 94.8 | Very high | 110 Ų | 110 | 101 Ų | 101 | 59% | 0.588 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60 | -44.9 | 177.8 | -71.3 | -18.1 | 0 | 0 | 0 | 111.3 | N23 V24 F29 D30 E31 | N23-D27 PolarHBondContact O-N 3.5Å; V24-D27 PolarHBondContact O-N 2.76Å; D27-F29 VanDerWaalsContact C-N 3.33Å; D27-F29 PolarHBondContact O-N 3.48Å; D27-D30 PolarHBondContact O-N 3.49Å; D27-E31 WeakPolarHBondContact O-CB 3.4Å; D27-E31 PolarHBondContact O-N 3.15Å |
| 28 | V | 96.7 | Very high | 95.2 | Very high | 69 Ų | 69 | 103.6 Ų | 103.6 | 42% | 0.418 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 176.5 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | V24 A26 E31 I32 | V24-V28 HydrophobicContact CG1-CG2 4.25Å; V24-V28 WeakPolarHBondContact O-CB 3.28Å; V24-V28 VanDerWaalsContact O-CG2 3.23Å; V24-V28 WeakPolarHBondContact O-CG2 3.46Å; V24-V28 PolarHBondContact O-N 2.78Å; A26-V28 PolarHBondContact O-N 3.38Å; V28-E31 PolarHBondContact O-N 3.49Å; V28-I32 HydrophobicContact CG1-CD1 3.81Å; V28-I32 HydrophobicContact CG1-CG1 4.38Å; V28-I32 WeakPolarHBondContact O-CB 3.27Å; V28-I32 VanDerWaalsContact O-CG1 3.25Å; V28-I32 WeakPolarHBondContact O-CG1 3.47Å; V28-I32 PolarHBondContact O-N 3.32Å |
| 29 | F | 95.9 | Very high | 95.5 | Very high | 137 Ų | 137 | 107.8 Ų | 107.8 | 60% | 0.601 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 177.5 | -175 | -93.2 | 0 | 0 | 0 | 111.9 | E25 A26 D27 I32 K33 | E25-F29 WeakPolarHBondContact O-CB 3.47Å; E25-F29 PolarHBondContact O-N 2.91Å; A26-F29 WeakPolarHBondContact O-CB 3.34Å; A26-F29 PolarHBondContact O-N 2.78Å; A26-F29 VanDerWaalsContact O-N 3.16Å; D27-F29 VanDerWaalsContact C-N 3.33Å; D27-F29 PolarHBondContact O-N 3.48Å; F29-I32 PolarHBondContact O-N 3.37Å; F29-K33 PolarHBondContact O-N 3.32Å |
| 30 | D | 96.3 | Very high | 95.7 | Very high | 93 Ų | 93 | 106.9 Ų | 106.9 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 176.1 | -79.1 | -21.2 | 0 | 0 | 0 | 111.5 | A26 D27 I32 K33 D34 | A26-D30 PolarHBondContact O-N 2.99Å; D27-D30 PolarHBondContact O-N 3.49Å; D30-I32 PolarHBondContact O-N 3.28Å; D30-K33 WeakPolarHBondContact O-CB 3.19Å; D30-K33 PolarHBondContact O-N 2.93Å; D30-D34 PolarHBondContact O-N 2.89Å |
| 31 | E | 96.8 | Very high | 95.9 | Very high | 127 Ų | 127 | 105 Ų | 105 | 59% | 0.593 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.7 | -40.9 | 175.6 | -169.1 | 172.4 | -166.4 | 0 | 0 | 112.2 | D27 V28 K33 D34 L35 | D27-E31 WeakPolarHBondContact O-CB 3.4Å; D27-E31 PolarHBondContact O-N 3.15Å; V28-E31 PolarHBondContact O-N 3.49Å; E31-K33 VanDerWaalsContact C-N 3.3Å; E31-K33 PolarHBondContact O-N 3.43Å; E31-D34 PolarHBondContact O-N 2.82Å; E31-L35 HydrophobicContact CG-CD1 4.34Å; E31-L35 WeakPolarHBondContact O-CB 3.35Å; E31-L35 VanDerWaalsContact O-CG 3.3Å; E31-L35 WeakPolarHBondContact O-CG 3.49Å; E31-L35 PolarHBondContact O-N 3.49Å |
| 32 | I | 96.4 | Very high | 96.1 | Very high | 85 Ų | 85 | 105.6 Ų | 105.6 | 44% | 0.436 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 173.9 | -73.8 | 168.6 | 0 | 0 | 0 | 110.7 | V28 F29 D30 L35 L36 | V28-I32 HydrophobicContact CG1-CD1 3.81Å; V28-I32 HydrophobicContact CG1-CG1 4.38Å; V28-I32 WeakPolarHBondContact O-CB 3.27Å; V28-I32 VanDerWaalsContact O-CG1 3.25Å; V28-I32 WeakPolarHBondContact O-CG1 3.47Å; V28-I32 PolarHBondContact O-N 3.32Å; F29-I32 PolarHBondContact O-N 3.37Å; D30-I32 PolarHBondContact O-N 3.28Å; I32-L35 PolarHBondContact O-N 3.45Å; I32-L36 HydrophobicContact CG2-CD1 3.93Å; I32-L36 HydrophobicContact CG2-CG 4.34Å; I32-L36 WeakPolarHBondContact O-CB 2.92Å; I32-L36 VanDerWaalsContact O-CG 3.26Å; I32-L36 WeakPolarHBondContact O-CG 3.28Å; I32-L36 PolarHBondContact O-N 2.97Å |
| 33 | K | 97.2 | Very high | 96.2 | Very high | 133 Ų | 133 | 103 Ų | 103 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.1 | -43.1 | 179.5 | -171.6 | -179 | 176.7 | -173.6 | 0 | 111.5 | F29 D30 E31 L36 A37 | F29-K33 PolarHBondContact O-N 3.32Å; D30-K33 WeakPolarHBondContact O-CB 3.19Å; D30-K33 PolarHBondContact O-N 2.93Å; E31-K33 VanDerWaalsContact C-N 3.3Å; E31-K33 PolarHBondContact O-N 3.43Å; K33-L36 PolarHBondContact O-N 2.86Å; K33-A37 PolarHBondContact O-N 2.81Å |
| 34 | D | 97.1 | Very high | 96.4 | Very high | 121 Ų | 121 | 105.1 Ų | 105.1 | 65% | 0.647 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -42.7 | 174.8 | -89.3 | 9.2 | 0 | 0 | 0 | 111.9 | D30 E31 L36 A37 R38 | D30-D34 PolarHBondContact O-N 2.89Å; E31-D34 PolarHBondContact O-N 2.82Å; D34-L36 VanDerWaalsContact C-N 3.34Å; D34-L36 PolarHBondContact O-N 2.81Å; D34-A37 PolarHBondContact O-N 2.91Å; D34-R38 WeakPolarHBondContact O-CB 2.84Å; D34-R38 PolarHBondContact O-N 3.12Å |
| 35 | L | 96.7 | Very high | 96.5 | Very high | 103 Ų | 103 | 106.5 Ų | 106.5 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 175.5 | -75.9 | 172.8 | 0 | 0 | 0 | 112.2 | E31 I32 R38 R39 | E31-L35 HydrophobicContact CG-CD1 4.34Å; E31-L35 WeakPolarHBondContact O-CB 3.35Å; E31-L35 VanDerWaalsContact O-CG 3.3Å; E31-L35 WeakPolarHBondContact O-CG 3.49Å; E31-L35 PolarHBondContact O-N 3.49Å; I32-L35 PolarHBondContact O-N 3.45Å; L35-R38 PolarHBondContact O-N 3.46Å; L35-R39 WeakPolarHBondContact O-CB 3.38Å; L35-R39 PolarHBondContact O-N 2.99Å |
| 36 | L | 96 | Very high | 96.6 | Very high | 95 Ų | 95 | 104.4 Ų | 104.4 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | 176 | -74.1 | 172.5 | 0 | 0 | 0 | 111.7 | I32 K33 D34 R38 R39 S40 | I32-L36 HydrophobicContact CG2-CD1 3.93Å; I32-L36 HydrophobicContact CG2-CG 4.34Å; I32-L36 WeakPolarHBondContact O-CB 2.92Å; I32-L36 VanDerWaalsContact O-CG 3.26Å; I32-L36 WeakPolarHBondContact O-CG 3.28Å; I32-L36 PolarHBondContact O-N 2.97Å; K33-L36 PolarHBondContact O-N 2.86Å; D34-L36 VanDerWaalsContact C-N 3.34Å; D34-L36 PolarHBondContact O-N 2.81Å; L36-R38 PolarHBondContact O-N 3.41Å; L36-R39 WeakPolarHBondContact O-CB 3.43Å; L36-R39 PolarHBondContact O-N 3.41Å; L36-S40 PolarHBondContact O-N 2.95Å; L36-S40 PolarHBondContact O-OG 2.89Å |
| 37 | A | 96.8 | Very high | 96.8 | Very high | 63 Ų | 63 | 109.8 Ų | 109.8 | 52% | 0.521 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -45.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | K33 D34 R39 S40 E41 | K33-A37 PolarHBondContact O-N 2.81Å; D34-A37 PolarHBondContact O-N 2.91Å; A37-R39 VanDerWaalsContact C-N 3.34Å; A37-R39 PolarHBondContact O-N 3.23Å; A37-S40 PolarHBondContact O-N 3Å; A37-E41 PolarHBondContact O-N 3.48Å; A37-E41 VanDerWaalsContact O-N 3.11Å |
| 38 | R | 97.1 | Very high | 96.8 | Very high | 170 Ų | 170 | 111 Ų | 111 | 64% | 0.642 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.1 | -38.4 | 177.1 | -175.5 | 171.9 | 162.3 | 176.4 | -5.8 | 112.2 | D34 L35 L36 E41 I42 | D34-R38 WeakPolarHBondContact O-CB 2.84Å; D34-R38 PolarHBondContact O-N 3.12Å; L35-R38 PolarHBondContact O-N 3.46Å; L36-R38 PolarHBondContact O-N 3.41Å; R38-E41 PolarHBondContact O-N 3.21Å; R38-I42 HydrophobicContact CG-CD1 4.3Å; R38-I42 WeakPolarHBondContact O-CG1 3.5Å; R38-I42 PolarHBondContact O-N 3.07Å; R38-I42 VanDerWaalsContact O-N 3.07Å |
| 39 | R | 96.8 | Very high | 96.7 | Very high | 149 Ų | 149 | 112.7 Ų | 112.7 | 56% | 0.562 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.7 | -46.7 | 173.7 | 179.9 | -172 | 163.5 | -165.3 | -5.8 | 111.1 | L35 L36 A37 E41 I42 E43 | L35-R39 WeakPolarHBondContact O-CB 3.38Å; L35-R39 PolarHBondContact O-N 2.99Å; L36-R39 WeakPolarHBondContact O-CB 3.43Å; L36-R39 PolarHBondContact O-N 3.41Å; A37-R39 VanDerWaalsContact C-N 3.34Å; A37-R39 PolarHBondContact O-N 3.23Å; R39-E41 VanDerWaalsContact C-N 3.3Å; R39-E41 PolarHBondContact O-N 3.15Å; R39-I42 PolarHBondContact O-N 3.49Å; R39-E43 IonicContact CZ-OE1 3.26Å; R39-E43 VanDerWaalsContact CZ-OE1 3.26Å; R39-E43 IonicContact NE-OE1 2.84Å; R39-E43 PolarHBondContact NE-OE1 2.87Å; R39-E43 IonicContact NH2-OE1 2.85Å; R39-E43 PolarHBondContact NH2-OE1 3.43Å; R39-E43 WeakPolarHBondContact O-CG 3.37Å; R39-E43 PolarHBondContact O-N 3.05Å |
| 40 | S | 96.5 | Very high | 96.7 | Very high | 72 Ų | 72 | 110.5 Ų | 110.5 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 178 | -63.3 | 0 | 0 | 0 | 0 | 112.6 | L36 A37 E43 H44 | L36-S40 PolarHBondContact O-N 2.95Å; L36-S40 PolarHBondContact O-OG 2.89Å; A37-S40 PolarHBondContact O-N 3Å; S40-E43 PolarHBondContact O-N 2.99Å; S40-H44 PolarHBondContact O-N 3.45Å; S40-H44 VanDerWaalsContact O-N 3.08Å |
| 41 | E | 97.3 | Very high | 96.6 | Very high | 105 Ų | 105 | 109.8 Ų | 109.8 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 175.8 | -160.7 | -165.3 | 157.6 | 0 | 0 | 112.2 | A37 R38 R39 H44 K45 | A37-E41 PolarHBondContact O-N 3.48Å; A37-E41 VanDerWaalsContact O-N 3.11Å; R38-E41 PolarHBondContact O-N 3.21Å; R39-E41 VanDerWaalsContact C-N 3.3Å; R39-E41 PolarHBondContact O-N 3.15Å; E41-H44 PolarHBondContact O-N 3.27Å; E41-K45 PolarHBondContact O-N 2.91Å; E41-K45 WeakPolarHBondContact OE1-CE 3.49Å; E41-K45 IonicContact OE1-NZ 2.69Å; E41-K45 PolarHBondContact OE1-NZ 2.93Å |
| 42 | I | 97.2 | Very high | 96.5 | Very high | 86 Ų | 86 | 107.3 Ų | 107.3 | 44% | 0.441 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 176.3 | -69.9 | 168.2 | 0 | 0 | 0 | 110.7 | R38 R39 H44 K45 L46 | R38-I42 HydrophobicContact CG-CD1 4.3Å; R38-I42 WeakPolarHBondContact O-CG1 3.5Å; R38-I42 PolarHBondContact O-N 3.07Å; R38-I42 VanDerWaalsContact O-N 3.07Å; R39-I42 PolarHBondContact O-N 3.49Å; I42-H44 VanDerWaalsContact C-N 3.28Å; I42-H44 PolarHBondContact O-N 3.29Å; I42-K45 PolarHBondContact O-N 3.41Å; I42-L46 HydrophobicContact CG2-CD1 4.15Å; I42-L46 WeakPolarHBondContact O-CB 3.38Å; I42-L46 PolarHBondContact O-N 2.93Å |
| 43 | E | 97.5 | Very high | 96.4 | Very high | 93 Ų | 93 | 107.9 Ų | 107.9 | 44% | 0.435 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 177.1 | -75 | 176.1 | 177.1 | 0 | 0 | 111.6 | R39 S40 L46 K47 | R39-E43 IonicContact CZ-OE1 3.26Å; R39-E43 VanDerWaalsContact CZ-OE1 3.26Å; R39-E43 IonicContact NE-OE1 2.84Å; R39-E43 PolarHBondContact NE-OE1 2.87Å; R39-E43 IonicContact NH2-OE1 2.85Å; R39-E43 PolarHBondContact NH2-OE1 3.43Å; R39-E43 WeakPolarHBondContact O-CG 3.37Å; R39-E43 PolarHBondContact O-N 3.05Å; S40-E43 PolarHBondContact O-N 2.99Å; E43-L46 PolarHBondContact O-N 2.94Å; E43-K47 WeakPolarHBondContact O-CB 2.88Å; E43-K47 PolarHBondContact O-N 2.74Å |
| 44 | H | 97 | Very high | 96.3 | Very high | 131 Ų | 131 | 104.9 Ų | 104.9 | 61% | 0.606 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.3 | -44.8 | 174.4 | -177.8 | -88.9 | 0 | 0 | 0 | 112.5 | S40 E41 I42 L46 K47 K48 | S40-H44 PolarHBondContact O-N 3.45Å; S40-H44 VanDerWaalsContact O-N 3.08Å; E41-H44 PolarHBondContact O-N 3.27Å; I42-H44 VanDerWaalsContact C-N 3.28Å; I42-H44 PolarHBondContact O-N 3.29Å; H44-L46 VanDerWaalsContact C-N 3.34Å; H44-L46 PolarHBondContact O-N 3.27Å; H44-K47 PolarHBondContact O-N 3.4Å; H44-K48 PolarHBondContact O-N 2.96Å |
| 45 | K | 97.4 | Very high | 96.1 | Very high | 111 Ų | 111 | 103.2 Ų | 103.2 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 176.1 | -73.1 | 175.6 | -175.6 | 165.7 | 0 | 111.8 | E41 I42 K48 I49 | E41-K45 PolarHBondContact O-N 2.91Å; E41-K45 WeakPolarHBondContact OE1-CE 3.49Å; E41-K45 IonicContact OE1-NZ 2.69Å; E41-K45 PolarHBondContact OE1-NZ 2.93Å; I42-K45 PolarHBondContact O-N 3.41Å; K45-K48 PolarHBondContact O-N 2.96Å; K45-I49 WeakPolarHBondContact O-CG1 3.24Å; K45-I49 PolarHBondContact O-N 2.88Å |
| 46 | L | 96.7 | Very high | 96 | Very high | 91 Ų | 91 | 104.8 Ų | 104.8 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 174.4 | -105.1 | 156.2 | 0 | 0 | 0 | 111.8 | I42 E43 H44 K48 I49 N50 | I42-L46 HydrophobicContact CG2-CD1 4.15Å; I42-L46 WeakPolarHBondContact O-CB 3.38Å; I42-L46 PolarHBondContact O-N 2.93Å; E43-L46 PolarHBondContact O-N 2.94Å; H44-L46 VanDerWaalsContact C-N 3.34Å; H44-L46 PolarHBondContact O-N 3.27Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 3.46Å; L46-I49 PolarHBondContact O-N 2.96Å; L46-N50 WeakPolarHBondContact O-CB 3.2Å; L46-N50 PolarHBondContact O-N 3.41Å |
| 47 | K | 96.9 | Very high | 95.9 | Very high | 161 Ų | 161 | 105.5 Ų | 105.5 | 70% | 0.7 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 176.6 | -164.9 | 174.3 | -176.3 | 178.1 | 0 | 111.8 | E43 H44 N50 S51 | E43-K47 WeakPolarHBondContact O-CB 2.88Å; E43-K47 PolarHBondContact O-N 2.74Å; H44-K47 PolarHBondContact O-N 3.4Å; K47-N50 PolarHBondContact O-N 3.28Å; K47-S51 PolarHBondContact O-N 3.36Å |
| 48 | K | 96.2 | Very high | 95.8 | Very high | 136 Ų | 136 | 108.6 Ų | 108.6 | 59% | 0.591 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64 | -46.2 | 175.1 | -169.6 | 174.6 | -178.8 | 179 | 0 | 111.8 | H44 K45 L46 N50 S51 L52 | H44-K48 PolarHBondContact O-N 2.96Å; K45-K48 PolarHBondContact O-N 2.96Å; L46-K48 VanDerWaalsContact C-N 3.32Å; L46-K48 PolarHBondContact O-N 3.46Å; K48-N50 VanDerWaalsContact C-N 3.33Å; K48-N50 PolarHBondContact O-N 3.43Å; K48-S51 PolarHBondContact O-N 2.92Å; K48-S51 VanDerWaalsContact O-N 3.16Å; K48-S51 PolarHBondContact O-OG 3.03Å; K48-L52 WeakPolarHBondContact O-CG 3.45Å; K48-L52 PolarHBondContact O-N 2.94Å |
| 49 | I | 95.7 | Very high | 95.6 | Very high | 104 Ų | 104 | 105.9 Ų | 105.9 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58 | -47.4 | 175.4 | -71.6 | 168.5 | 0 | 0 | 0 | 110.5 | K45 L46 S51 L52 I53 | K45-I49 WeakPolarHBondContact O-CG1 3.24Å; K45-I49 PolarHBondContact O-N 2.88Å; L46-I49 PolarHBondContact O-N 2.96Å; I49-S51 PolarHBondContact O-N 3.49Å; I49-L52 WeakPolarHBondContact O-CB 3.29Å; I49-L52 PolarHBondContact O-N 3.1Å; I49-I53 PolarHBondContact O-N 2.98Å |
| 50 | N | 95.4 | Very high | 95.6 | Very high | 92 Ų | 92 | 103.8 Ų | 103.8 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -34.6 | 178.6 | -76.4 | -19.1 | 0 | 0 | 0 | 112.6 | L46 K47 K48 L52 I53 | L46-N50 WeakPolarHBondContact O-CB 3.2Å; L46-N50 PolarHBondContact O-N 3.41Å; K47-N50 PolarHBondContact O-N 3.28Å; K48-N50 VanDerWaalsContact C-N 3.33Å; K48-N50 PolarHBondContact O-N 3.43Å; N50-L52 PolarHBondContact O-N 3.36Å; N50-I53 PolarHBondContact O-N 3.47Å |
| 51 | S | 94.3 | Very high | 95.6 | Very high | 77 Ų | 77 | 103 Ų | 103 | 54% | 0.538 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.8 | -20.7 | 175.6 | 72.6 | 0 | 0 | 0 | 0 | 114 | K47 K48 I49 P54 | K47-S51 PolarHBondContact O-N 3.36Å; K48-S51 PolarHBondContact O-N 2.92Å; K48-S51 VanDerWaalsContact O-N 3.16Å; K48-S51 PolarHBondContact O-OG 3.03Å; I49-S51 PolarHBondContact O-N 3.49Å; S51-P54 WeakPolarHBondContact O-CD 2.82Å |
| 52 | L | 95 | Very high | 95.5 | Very high | 75 Ų | 75 | 102.6 Ų | 102.6 | 39% | 0.393 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -89.4 | -17.6 | 179.4 | -65.5 | 171.3 | 0 | 0 | 0 | 113.6 | K48 I49 N50 P54 D55 F56 | K48-L52 WeakPolarHBondContact O-CG 3.45Å; K48-L52 PolarHBondContact O-N 2.94Å; I49-L52 WeakPolarHBondContact O-CB 3.29Å; I49-L52 PolarHBondContact O-N 3.1Å; N50-L52 PolarHBondContact O-N 3.36Å; L52-P54 VanDerWaalsContact C-CD 3.44Å; L52-P54 VanDerWaalsContact C-N 3.35Å; L52-D55 PolarHBondContact O-N 3.39Å; L52-D55 VanDerWaalsContact O-N 3.09Å; L52-F56 HydrophobicContact CB-CD2 4.3Å; L52-F56 HydrophobicContact CB-CE2 4.13Å; L52-F56 WeakPolarHBondContact O-CD2 3.33Å; L52-F56 PolarHBondContact O-N 2.74Å; L52-F56 VanDerWaalsContact O-N 3.16Å |
| 53 | I | 94.1 | Very high | 95.4 | Very high | 97 Ų | 97 | 101.3 Ų | 101.3 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -52.4 | -43.9 | 179.7 | -68 | 174.3 | 0 | 0 | 0 | 112.9 | I49 N50 D55 F56 H57 | I49-I53 PolarHBondContact O-N 2.98Å; N50-I53 PolarHBondContact O-N 3.47Å; I53-D55 VanDerWaalsContact C-N 3.3Å; I53-D55 PolarHBondContact O-N 2.91Å; I53-F56 PolarHBondContact O-N 2.9Å; I53-H57 PolarHBondContact O-N 3.1Å |
| 54 | P | 94.1 | Very high | 95.4 | Very high | 70 Ų | 70 | 101.4 Ų | 101.4 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -34.6 | 178.5 | -23.9 | 35.5 | 0 | 0 | 0 | 113.8 | S51 L52 H57 K58 | S51-P54 WeakPolarHBondContact O-CD 2.82Å; L52-P54 VanDerWaalsContact C-CD 3.44Å; L52-P54 VanDerWaalsContact C-N 3.35Å; P54-H57 PolarHBondContact O-N 2.99Å; P54-K58 WeakPolarHBondContact O-CG 3.42Å; P54-K58 PolarHBondContact O-N 3.33Å |
| 55 | D | 93.4 | Very high | 95.3 | Very high | 87 Ų | 87 | 99 Ų | 99 | 47% | 0.465 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -74 | -38.2 | 180 | -68.7 | -25.5 | 0 | 0 | 0 | 111.3 | L52 I53 H57 K58 L59 | L52-D55 PolarHBondContact O-N 3.39Å; L52-D55 VanDerWaalsContact O-N 3.09Å; I53-D55 VanDerWaalsContact C-N 3.3Å; I53-D55 PolarHBondContact O-N 2.91Å; D55-H57 VanDerWaalsContact C-N 3.27Å; D55-H57 PolarHBondContact O-N 3.49Å; D55-K58 PolarHBondContact O-N 3.46Å; D55-K58 IonicContact OD1-NZ 3.49Å; D55-K58 PolarHBondContact OD1-NZ 2.89Å; D55-L59 WeakPolarHBondContact O-CB 3.4Å; D55-L59 PolarHBondContact O-N 3.06Å |
| 56 | F | 93.9 | Very high | 95.2 | Very high | 136 Ų | 136 | 97 Ų | 97 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.6 | -38.5 | 169.6 | -77.8 | -64.8 | 0 | 0 | 0 | 112.1 | L52 I53 L59 Q60 | L52-F56 HydrophobicContact CB-CD2 4.3Å; L52-F56 HydrophobicContact CB-CE2 4.13Å; L52-F56 WeakPolarHBondContact O-CD2 3.33Å; L52-F56 PolarHBondContact O-N 2.74Å; L52-F56 VanDerWaalsContact O-N 3.16Å; I53-F56 PolarHBondContact O-N 2.9Å; F56-L59 PolarHBondContact O-N 3.41Å; F56-Q60 WeakPolarHBondContact O-CB 3.22Å; F56-Q60 PolarHBondContact O-N 3.24Å |
| 57 | H | 94.2 | Very high | 95.2 | Very high | 110 Ų | 110 | 96.8 Ų | 96.8 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 176.1 | -171.6 | 57.4 | 0 | 0 | 0 | 112.3 | I53 P54 D55 L59 Q60 V61 | I53-H57 PolarHBondContact O-N 3.1Å; P54-H57 PolarHBondContact O-N 2.99Å; D55-H57 VanDerWaalsContact C-N 3.27Å; D55-H57 PolarHBondContact O-N 3.49Å; H57-L59 VanDerWaalsContact C-N 3.32Å; H57-L59 PolarHBondContact O-N 2.9Å; H57-Q60 WeakPolarHBondContact O-CB 3.42Å; H57-Q60 PolarHBondContact O-N 3.46Å; H57-V61 WeakPolarHBondContact O-CG2 3.41Å; H57-V61 PolarHBondContact O-N 3.47Å |
| 58 | K | 95.7 | Very high | 95.2 | Very high | 128 Ų | 128 | 95.4 Ų | 95.4 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.7 | -42.3 | 172.6 | -70.6 | 172.4 | -171.4 | 162.1 | 0 | 111.9 | P54 D55 Q60 V61 N62 | P54-K58 WeakPolarHBondContact O-CG 3.42Å; P54-K58 PolarHBondContact O-N 3.33Å; D55-K58 PolarHBondContact O-N 3.46Å; D55-K58 IonicContact OD1-NZ 3.49Å; D55-K58 PolarHBondContact OD1-NZ 2.89Å; K58-Q60 VanDerWaalsContact C-N 3.32Å; K58-Q60 PolarHBondContact O-N 3.17Å; K58-V61 PolarHBondContact O-N 3.42Å; K58-N62 PolarHBondContact O-N 3.13Å |
| 59 | L | 93.5 | Very high | 95.2 | Very high | 112 Ų | 112 | 95 Ų | 95 | 59% | 0.586 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.3 | -42.3 | 177.2 | -176.8 | 63.1 | 0 | 0 | 0 | 111.3 | D55 F56 H57 N62 A63 | D55-L59 WeakPolarHBondContact O-CB 3.4Å; D55-L59 PolarHBondContact O-N 3.06Å; F56-L59 PolarHBondContact O-N 3.41Å; H57-L59 VanDerWaalsContact C-N 3.32Å; H57-L59 PolarHBondContact O-N 2.9Å; L59-N62 PolarHBondContact O-N 3.07Å; L59-A63 PolarHBondContact O-N 3.14Å |
| 60 | Q | 95.9 | Very high | 95.2 | Very high | 106 Ų | 106 | 94.9 Ų | 94.9 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.4 | -49.5 | 175.1 | -177.3 | -176.3 | 4.1 | 0 | 0 | 111.8 | F56 H57 K58 N62 A63 E64 | F56-Q60 WeakPolarHBondContact O-CB 3.22Å; F56-Q60 PolarHBondContact O-N 3.24Å; H57-Q60 WeakPolarHBondContact O-CB 3.42Å; H57-Q60 PolarHBondContact O-N 3.46Å; K58-Q60 VanDerWaalsContact C-N 3.32Å; K58-Q60 PolarHBondContact O-N 3.17Å; Q60-N62 VanDerWaalsContact C-N 3.31Å; Q60-N62 PolarHBondContact O-N 3.43Å; Q60-A63 WeakPolarHBondContact O-CB 3.25Å; Q60-A63 PolarHBondContact O-N 3.17Å; Q60-E64 PolarHBondContact O-N 2.97Å |
| 61 | V | 96.5 | Very high | 95.2 | Very high | 55 Ų | 55 | 92.6 Ų | 92.6 | 33% | 0.333 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 178.3 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | H57 K58 E64 N65 | H57-V61 WeakPolarHBondContact O-CG2 3.41Å; H57-V61 PolarHBondContact O-N 3.47Å; K58-V61 PolarHBondContact O-N 3.42Å; V61-E64 PolarHBondContact O-N 3.12Å; V61-N65 VanDerWaalsContact O-CG 3.32Å; V61-N65 PolarHBondContact O-N 3.03Å; V61-N65 PolarHBondContact O-ND2 3.46Å |
| 62 | N | 96 | Very high | 95.3 | Very high | 96 Ų | 96 | 92.7 Ų | 92.7 | 51% | 0.513 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 176.9 | -78.8 | -5.2 | 0 | 0 | 0 | 112.8 | K58 L59 Q60 N65 S66 | K58-N62 PolarHBondContact O-N 3.13Å; L59-N62 PolarHBondContact O-N 3.07Å; Q60-N62 VanDerWaalsContact C-N 3.31Å; Q60-N62 PolarHBondContact O-N 3.43Å; N62-N65 PolarHBondContact O-N 3.28Å; N62-S66 WeakPolarHBondContact O-CB 3.35Å; N62-S66 PolarHBondContact O-N 2.87Å; N62-S66 PolarHBondContact O-OG 3.07Å |
| 63 | A | 94.3 | Very high | 95.3 | Very high | 60 Ų | 60 | 91.8 Ų | 91.8 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L59 Q60 S66 S67 | L59-A63 PolarHBondContact O-N 3.14Å; Q60-A63 WeakPolarHBondContact O-CB 3.25Å; Q60-A63 PolarHBondContact O-N 3.17Å; A63-S66 PolarHBondContact O-N 3.01Å; A63-S67 WeakPolarHBondContact O-CB 3.41Å; A63-S67 PolarHBondContact O-N 2.96Å |
| 64 | E | 97 | Very high | 95.4 | Very high | 94 Ų | 94 | 90.4 Ų | 90.4 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.6 | -74.8 | 178.2 | -167.9 | 0 | 0 | 112.5 | Q60 V61 S67 K68 | Q60-E64 PolarHBondContact O-N 2.97Å; V61-E64 PolarHBondContact O-N 3.12Å; E64-S67 WeakPolarHBondContact O-CB 3.26Å; E64-S67 PolarHBondContact O-N 3.41Å; E64-K68 WeakPolarHBondContact O-CG 3.44Å; E64-K68 PolarHBondContact O-N 3Å; E64-K68 VanDerWaalsContact O-N 3.09Å |
| 65 | N | 96.1 | Very high | 95.5 | Very high | 81 Ų | 81 | 94 Ų | 94 | 43% | 0.433 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 177.2 | -71.7 | -22.4 | 0 | 0 | 0 | 112.3 | V61 N62 S67 K68 L69 | V61-N65 VanDerWaalsContact O-CG 3.32Å; V61-N65 PolarHBondContact O-N 3.03Å; V61-N65 PolarHBondContact O-ND2 3.46Å; N62-N65 PolarHBondContact O-N 3.28Å; N65-S67 VanDerWaalsContact C-N 3.34Å; N65-S67 PolarHBondContact O-N 2.92Å; N65-K68 PolarHBondContact O-N 3.35Å; N65-L69 PolarHBondContact O-N 3.35Å |
| 66 | S | 95.2 | Very high | 95.6 | Very high | 70 Ų | 70 | 95.1 Ų | 95.1 | 49% | 0.49 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 176.2 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | N62 A63 K68 L69 V70 | N62-S66 WeakPolarHBondContact O-CB 3.35Å; N62-S66 PolarHBondContact O-N 2.87Å; N62-S66 PolarHBondContact O-OG 3.07Å; A63-S66 PolarHBondContact O-N 3.01Å; S66-K68 PolarHBondContact O-N 3.33Å; S66-L69 PolarHBondContact O-N 3.43Å; S66-V70 WeakPolarHBondContact O-CG2 3.49Å; S66-V70 PolarHBondContact O-N 2.93Å |
| 67 | S | 96.6 | Very high | 95.7 | Very high | 85 Ų | 85 | 91.5 Ų | 91.5 | 59% | 0.594 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.3 | -45.6 | 174.7 | 179 | 0 | 0 | 0 | 0 | 112.1 | A63 E64 N65 L69 V70 G71 | A63-S67 WeakPolarHBondContact O-CB 3.41Å; A63-S67 PolarHBondContact O-N 2.96Å; E64-S67 WeakPolarHBondContact O-CB 3.26Å; E64-S67 PolarHBondContact O-N 3.41Å; N65-S67 VanDerWaalsContact C-N 3.34Å; N65-S67 PolarHBondContact O-N 2.92Å; S67-L69 PolarHBondContact O-N 2.85Å; S67-V70 PolarHBondContact O-N 3.21Å; S67-G71 PolarHBondContact O-N 3.47Å |
| 68 | K | 96.5 | Very high | 95.7 | Very high | 132 Ų | 132 | 92.3 Ų | 92.3 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.9 | -43.9 | 175.4 | -69.3 | 169.4 | -172.8 | 165.9 | 0 | 112 | E64 N65 S66 G71 C72 | E64-K68 WeakPolarHBondContact O-CG 3.44Å; E64-K68 PolarHBondContact O-N 3Å; E64-K68 VanDerWaalsContact O-N 3.09Å; N65-K68 PolarHBondContact O-N 3.35Å; S66-K68 PolarHBondContact O-N 3.33Å; K68-G71 PolarHBondContact O-N 3.31Å; K68-C72 PolarHBondContact O-N 2.88Å; K68-C72 PolarHBondContact O-SG 3.37Å |
| 69 | L | 96.1 | Very high | 95.8 | Very high | 128 Ų | 128 | 91.8 Ų | 91.8 | 67% | 0.67 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62 | -45 | 178.9 | -171.8 | 74.5 | 0 | 0 | 0 | 111.9 | N65 S66 S67 G71 C72 A73 | N65-L69 PolarHBondContact O-N 3.35Å; S66-L69 PolarHBondContact O-N 3.43Å; S67-L69 PolarHBondContact O-N 2.85Å; L69-G71 VanDerWaalsContact C-N 3.28Å; L69-G71 PolarHBondContact O-N 3.27Å; L69-C72 WeakPolarHBondContact O-CB 3.49Å; L69-C72 PolarHBondContact O-N 2.98Å; L69-C72 VanDerWaalsContact O-N 3.16Å; L69-A73 PolarHBondContact O-N 3.42Å |
| 70 | V | 95.7 | Very high | 95.9 | Very high | 101 Ų | 101 | 92.3 Ų | 92.3 | 61% | 0.612 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60 | -41 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | S66 S67 C72 A73 S74 | S66-V70 WeakPolarHBondContact O-CG2 3.49Å; S66-V70 PolarHBondContact O-N 2.93Å; S67-V70 PolarHBondContact O-N 3.21Å; V70-C72 PolarHBondContact O-N 3.43Å; V70-A73 PolarHBondContact O-N 2.96Å; V70-S74 PolarHBondContact O-N 3.34Å |
| 71 | G | 95.4 | Very high | 95.9 | Very high | 44 Ų | 44 | 90.3 Ų | 90.3 | 45% | 0.454 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S67 K68 L69 S74 K75 | S67-G71 PolarHBondContact O-N 3.47Å; K68-G71 PolarHBondContact O-N 3.31Å; L69-G71 VanDerWaalsContact C-N 3.28Å; L69-G71 PolarHBondContact O-N 3.27Å; G71-S74 PolarHBondContact O-N 3.43Å; G71-K75 PolarHBondContact O-N 2.87Å; G71-K75 VanDerWaalsContact O-N 3.16Å |
| 72 | C | 95.5 | Very high | 95.8 | Very high | 79 Ų | 79 | 88.9 Ų | 88.9 | 53% | 0.534 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 175.8 | -70.1 | 0 | 0 | 0 | 0 | 112.6 | K68 L69 V70 S74 K75 L76 | K68-C72 PolarHBondContact O-N 2.88Å; K68-C72 PolarHBondContact O-SG 3.37Å; L69-C72 WeakPolarHBondContact O-CB 3.49Å; L69-C72 PolarHBondContact O-N 2.98Å; L69-C72 VanDerWaalsContact O-N 3.16Å; V70-C72 PolarHBondContact O-N 3.43Å; C72-S74 VanDerWaalsContact C-N 3.33Å; C72-S74 PolarHBondContact O-N 3.21Å; C72-K75 PolarHBondContact O-N 3.08Å; C72-L76 PolarHBondContact O-N 3.41Å; C72-L76 VanDerWaalsContact O-N 3.08Å |
| 73 | A | 95.4 | Very high | 95.7 | Very high | 56 Ų | 56 | 90.7 Ų | 90.7 | 46% | 0.463 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L69 V70 K75 L76 A77 | L69-A73 PolarHBondContact O-N 3.42Å; V70-A73 PolarHBondContact O-N 2.96Å; A73-K75 PolarHBondContact O-N 3.11Å; A73-L76 PolarHBondContact O-N 3.01Å; A73-A77 PolarHBondContact O-N 2.92Å |
| 74 | S | 96.7 | Very high | 95.7 | Very high | 69 Ų | 69 | 91.6 Ų | 91.6 | 48% | 0.483 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 175.1 | 178.8 | 0 | 0 | 0 | 0 | 112.1 | V70 G71 C72 L76 A77 L78 | V70-S74 PolarHBondContact O-N 3.34Å; G71-S74 PolarHBondContact O-N 3.43Å; C72-S74 VanDerWaalsContact C-N 3.33Å; C72-S74 PolarHBondContact O-N 3.21Å; S74-L76 PolarHBondContact O-N 3.44Å; S74-A77 PolarHBondContact O-N 3.35Å; S74-L78 PolarHBondContact O-N 3.14Å; S74-L78 VanDerWaalsContact O-N 3.11Å |
| 75 | K | 96.7 | Very high | 95.6 | Very high | 144 Ų | 144 | 92.8 Ų | 92.8 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.6 | -41 | 178.1 | -168.6 | 172 | -176.3 | 176.6 | 0 | 112.5 | G71 C72 A73 Q79 | G71-K75 PolarHBondContact O-N 2.87Å; G71-K75 VanDerWaalsContact O-N 3.16Å; C72-K75 PolarHBondContact O-N 3.08Å; A73-K75 PolarHBondContact O-N 3.11Å; K75-Q79 WeakPolarHBondContact O-CG 3.35Å; K75-Q79 PolarHBondContact O-N 3.41Å |
| 76 | L | 95.5 | Very high | 95.4 | Very high | 111 Ų | 111 | 94 Ų | 94 | 58% | 0.581 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65 | -42.2 | 175.7 | -80.4 | 165.8 | 0 | 0 | 0 | 112 | C72 A73 S74 L78 Q79 L80 | C72-L76 PolarHBondContact O-N 3.41Å; C72-L76 VanDerWaalsContact O-N 3.08Å; A73-L76 PolarHBondContact O-N 3.01Å; S74-L76 PolarHBondContact O-N 3.44Å; L76-L78 VanDerWaalsContact C-N 3.33Å; L76-L78 PolarHBondContact O-N 2.87Å; L76-Q79 PolarHBondContact O-N 3.24Å; L76-L80 PolarHBondContact O-N 3.41Å |
| 77 | A | 96.2 | Very high | 95.2 | Very high | 61 Ų | 61 | 96.4 Ų | 96.4 | 50% | 0.504 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | A73 S74 L80 S81 | A73-A77 PolarHBondContact O-N 2.92Å; S74-A77 PolarHBondContact O-N 3.35Å; A77-L80 PolarHBondContact O-N 2.95Å; A77-S81 PolarHBondContact O-N 3.35Å |
| 78 | L | 94.4 | Very high | 95.1 | Very high | 126 Ų | 126 | 96.4 Ų | 96.4 | 66% | 0.66 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.7 | -43.5 | 175 | -75.2 | 168.5 | 0 | 0 | 0 | 112.4 | S74 L76 S81 G82 | S74-L78 PolarHBondContact O-N 3.14Å; S74-L78 VanDerWaalsContact O-N 3.11Å; L76-L78 VanDerWaalsContact C-N 3.33Å; L76-L78 PolarHBondContact O-N 2.87Å; L78-S81 PolarHBondContact O-N 3.25Å; L78-G82 PolarHBondContact O-N 2.99Å; L78-G82 VanDerWaalsContact O-N 3.14Å |
| 79 | Q | 96.6 | Very high | 94.7 | Very high | 117 Ų | 117 | 97.1 Ų | 97.1 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 177 | -71.7 | 179.8 | -39.7 | 0 | 0 | 111.9 | K75 L76 G82 K83 | K75-Q79 WeakPolarHBondContact O-CG 3.35Å; K75-Q79 PolarHBondContact O-N 3.41Å; L76-Q79 PolarHBondContact O-N 3.24Å; Q79-G82 PolarHBondContact O-N 3.16Å; Q79-K83 WeakPolarHBondContact O-CG 3.34Å; Q79-K83 PolarHBondContact O-N 3.46Å; Q79-K83 VanDerWaalsContact O-N 3.14Å |
| 80 | L | 96.2 | Very high | 94.2 | Very high | 123 Ų | 123 | 95 Ų | 95 | 64% | 0.644 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 177.3 | -161.9 | 83.3 | 0 | 0 | 0 | 111 | L76 A77 G82 K83 V84 | L76-L80 PolarHBondContact O-N 3.41Å; A77-L80 PolarHBondContact O-N 2.95Å; L80-G82 PolarHBondContact O-N 3.46Å; L80-K83 WeakPolarHBondContact O-CB 3.37Å; L80-K83 PolarHBondContact O-N 3.02Å; L80-K83 VanDerWaalsContact O-N 3.12Å; L80-V84 WeakPolarHBondContact O-CG2 3.49Å; L80-V84 PolarHBondContact O-N 3.44Å |
| 81 | S | 96.2 | Very high | 93.7 | Very high | 65 Ų | 65 | 95.7 Ų | 95.7 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57.3 | -48.9 | 177 | -167 | 0 | 0 | 0 | 0 | 111.8 | A77 L78 K83 V84 E85 | A77-S81 PolarHBondContact O-N 3.35Å; L78-S81 PolarHBondContact O-N 3.25Å; S81-K83 PolarHBondContact O-N 3.16Å; S81-V84 PolarHBondContact O-N 3.03Å; S81-V84 VanDerWaalsContact O-N 3.13Å; S81-E85 PolarHBondContact O-N 2.9Å |
| 82 | G | 92.9 | Very high | 93.1 | Very high | 25 Ų | 25 | 95.9 Ų | 95.9 | 26% | 0.258 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -30 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | L78 Q79 L80 Q86 | L78-G82 PolarHBondContact O-N 2.99Å; L78-G82 VanDerWaalsContact O-N 3.14Å; Q79-G82 PolarHBondContact O-N 3.16Å; L80-G82 PolarHBondContact O-N 3.46Å; G82-Q86 VanDerWaalsContact O-CG 3.3Å; G82-Q86 WeakPolarHBondContact O-CG 3.33Å; G82-Q86 PolarHBondContact O-N 3.49Å; G82-Q86 VanDerWaalsContact O-N 3.17Å |
| 83 | K | 94.6 | Very high | 92.2 | Very high | 134 Ų | 134 | 96.5 Ų | 96.5 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.4 | -37.1 | 173.8 | -71.9 | -71.2 | 170.6 | -163.3 | 0 | 112.7 | Q79 L80 S81 Q86 L87 | Q79-K83 WeakPolarHBondContact O-CG 3.34Å; Q79-K83 PolarHBondContact O-N 3.46Å; Q79-K83 VanDerWaalsContact O-N 3.14Å; L80-K83 WeakPolarHBondContact O-CB 3.37Å; L80-K83 PolarHBondContact O-N 3.02Å; L80-K83 VanDerWaalsContact O-N 3.12Å; S81-K83 PolarHBondContact O-N 3.16Å; K83-Q86 PolarHBondContact O-N 3.11Å; K83-L87 WeakPolarHBondContact O-CB 3.42Å; K83-L87 PolarHBondContact O-N 3.48Å |
| 84 | V | 95.3 | Very high | 91 | Very high | 78 Ų | 78 | 99.6 Ų | 99.6 | 47% | 0.473 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 174.8 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | L80 S81 Q86 L87 D88 | L80-V84 WeakPolarHBondContact O-CG2 3.49Å; L80-V84 PolarHBondContact O-N 3.44Å; S81-V84 PolarHBondContact O-N 3.03Å; S81-V84 VanDerWaalsContact O-N 3.13Å; V84-Q86 PolarHBondContact O-N 3Å; V84-L87 WeakPolarHBondContact O-CB 3.38Å; V84-L87 PolarHBondContact O-N 2.88Å; V84-D88 PolarHBondContact O-N 3.36Å |
| 85 | E | 93.5 | Very high | 89.9 | Confident | 120 Ų | 120 | 104.4 Ų | 104.4 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.7 | -44.5 | 175.2 | -75.4 | 177.8 | 173.4 | 0 | 0 | 112.3 | S81 L87 D88 F89 | S81-E85 PolarHBondContact O-N 2.9Å; E85-L87 VanDerWaalsContact C-N 3.25Å; E85-L87 PolarHBondContact O-N 3.45Å; E85-D88 PolarHBondContact O-N 3.46Å; E85-F89 WeakPolarHBondContact O-CD2 3.4Å; E85-F89 PolarHBondContact O-N 2.95Å |
| 86 | Q | 92 | Very high | 88.3 | Confident | 107 Ų | 107 | 104.6 Ų | 104.6 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.1 | -40.5 | 174.6 | -75.1 | 171 | 15.5 | 0 | 0 | 111.8 | G82 K83 V84 F89 V90 | G82-Q86 VanDerWaalsContact O-CG 3.3Å; G82-Q86 WeakPolarHBondContact O-CG 3.33Å; G82-Q86 PolarHBondContact O-N 3.49Å; G82-Q86 VanDerWaalsContact O-N 3.17Å; K83-Q86 PolarHBondContact O-N 3.11Å; V84-Q86 PolarHBondContact O-N 3Å; Q86-F89 PolarHBondContact O-N 2.9Å; Q86-V90 WeakPolarHBondContact O-CG2 3.38Å; Q86-V90 PolarHBondContact O-N 3.4Å; Q86-V90 VanDerWaalsContact O-N 3.1Å |
| 87 | L | 92.1 | Very high | 86.4 | Confident | 120 Ų | 120 | 103.9 Ų | 103.9 | 63% | 0.628 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.9 | -37.9 | -179.7 | -148.2 | 148.1 | 0 | 0 | 0 | 111.3 | K83 V84 E85 V90 K91 | K83-L87 WeakPolarHBondContact O-CB 3.42Å; K83-L87 PolarHBondContact O-N 3.48Å; V84-L87 WeakPolarHBondContact O-CB 3.38Å; V84-L87 PolarHBondContact O-N 2.88Å; E85-L87 VanDerWaalsContact C-N 3.25Å; E85-L87 PolarHBondContact O-N 3.45Å; L87-V90 PolarHBondContact O-N 2.89Å; L87-K91 VanDerWaalsContact O-CB 3.3Å; L87-K91 WeakPolarHBondContact O-CB 3.47Å; L87-K91 PolarHBondContact O-N 3.49Å |
| 88 | D | 93.4 | Very high | 84 | Confident | 85 Ų | 85 | 107.5 Ų | 107.5 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.7 | -37.9 | 173.5 | -78.2 | -31.3 | 0 | 0 | 0 | 112.3 | V84 E85 K91 A92 | V84-D88 PolarHBondContact O-N 3.36Å; E85-D88 PolarHBondContact O-N 3.46Å; D88-K91 PolarHBondContact O-N 3.49Å; D88-A92 WeakPolarHBondContact O-CB 3.3Å; D88-A92 PolarHBondContact O-N 3.38Å |
| 89 | F | 88.6 | Confident | 82.2 | Confident | 146 Ų | 146 | 107.9 Ų | 107.9 | 64% | 0.64 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.1 | -51.8 | 171.9 | -94.8 | -77.8 | 0 | 0 | 0 | 112.3 | E85 Q86 K91 A92 D93 | E85-F89 WeakPolarHBondContact O-CD2 3.4Å; E85-F89 PolarHBondContact O-N 2.95Å; Q86-F89 PolarHBondContact O-N 2.9Å; F89-K91 PolarHBondContact O-N 3.35Å; F89-A92 WeakPolarHBondContact O-CB 3.43Å; F89-A92 PolarHBondContact O-N 3Å; F89-D93 PolarHBondContact O-N 2.94Å |
| 90 | V | 84.7 | Confident | 80.5 | Confident | 85 Ų | 85 | 104.1 Ų | 104.1 | 52% | 0.515 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.8 | -39.9 | 178.3 | 172.9 | 0 | 0 | 0 | 0 | 111 | Q86 L87 A92 D93 I94 | Q86-V90 WeakPolarHBondContact O-CG2 3.38Å; Q86-V90 PolarHBondContact O-N 3.4Å; Q86-V90 VanDerWaalsContact O-N 3.1Å; L87-V90 PolarHBondContact O-N 2.89Å; V90-A92 VanDerWaalsContact C-N 3.34Å; V90-A92 PolarHBondContact O-N 2.84Å; V90-D93 PolarHBondContact O-N 3.38Å; V90-I94 HydrophobicContact CG1-CD1 3.83Å; V90-I94 HydrophobicContact CG1-CG1 4.4Å; V90-I94 WeakPolarHBondContact O-CB 3.47Å; V90-I94 VanDerWaalsContact O-CG1 3.26Å; V90-I94 WeakPolarHBondContact O-CG1 3.32Å; V90-I94 PolarHBondContact O-N 3.43Å |
| 91 | K | 86.3 | Confident | 78.9 | Confident | 115 Ų | 115 | 104.6 Ų | 104.6 | 50% | 0.5 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 176.1 | -178.8 | -178.9 | 177.4 | -176.1 | 0 | 112.3 | L87 D88 F89 K95 | L87-K91 VanDerWaalsContact O-CB 3.3Å; L87-K91 WeakPolarHBondContact O-CB 3.47Å; L87-K91 PolarHBondContact O-N 3.49Å; D88-K91 PolarHBondContact O-N 3.49Å; F89-K91 PolarHBondContact O-N 3.35Å; K91-K95 WeakPolarHBondContact O-CG 3.45Å; K91-K95 PolarHBondContact O-N 3.44Å |
| 92 | A | 83.2 | Confident | 77.2 | Confident | 47 Ų | 47 | 108.1 Ų | 108.1 | 39% | 0.388 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.7 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D88 F89 V90 K95 Q96 | D88-A92 WeakPolarHBondContact O-CB 3.3Å; D88-A92 PolarHBondContact O-N 3.38Å; F89-A92 WeakPolarHBondContact O-CB 3.43Å; F89-A92 PolarHBondContact O-N 3Å; V90-A92 VanDerWaalsContact C-N 3.34Å; V90-A92 PolarHBondContact O-N 2.84Å; A92-K95 WeakPolarHBondContact O-CB 3.42Å; A92-K95 PolarHBondContact O-N 3.01Å; A92-K95 VanDerWaalsContact O-N 3.15Å; A92-Q96 PolarHBondContact O-N 3.49Å |
| 93 | D | 74.8 | Confident | 75.9 | Confident | 93 Ų | 93 | 113.9 Ų | 113.9 | 50% | 0.497 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.4 | -45 | 177.2 | -74 | -7.5 | 0 | 0 | 0 | 111.8 | F89 V90 K95 Q96 C97 | F89-D93 PolarHBondContact O-N 2.94Å; V90-D93 PolarHBondContact O-N 3.38Å; D93-K95 PolarHBondContact O-N 2.97Å; D93-Q96 CarbonylContact O-C 3.59Å; D93-Q96 WeakPolarHBondContact O-CA 3.49Å; D93-Q96 PolarHBondContact O-N 3.37Å; D93-C97 PolarHBondContact O-N 3.22Å; D93-C97 VanDerWaalsContact O-N 3.07Å |
| 94 | I | 70.5 | Confident | 74.6 | Confident | 121 Ų | 121 | 113.4 Ų | 113.4 | 62% | 0.621 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58.1 | -37.8 | 174.5 | -70.8 | 168.3 | 0 | 0 | 0 | 110.8 | V90 Q96 | V90-I94 HydrophobicContact CG1-CD1 3.83Å; V90-I94 HydrophobicContact CG1-CG1 4.4Å; V90-I94 WeakPolarHBondContact O-CB 3.47Å; V90-I94 VanDerWaalsContact O-CG1 3.26Å; V90-I94 WeakPolarHBondContact O-CG1 3.32Å; V90-I94 PolarHBondContact O-N 3.43Å; I94-Q96 VanDerWaalsContact C-N 3.31Å; I94-Q96 PolarHBondContact O-N 3.45Å |
| 95 | K | 74.1 | Confident | 73.5 | Confident | 170 Ų | 170 | 116 Ų | 116 | 74% | 0.739 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.7 | -24.8 | 175 | -78.4 | -177.9 | 174.2 | -170.9 | 0 | 113.4 | K91 A92 D93 | K91-K95 WeakPolarHBondContact O-CG 3.45Å; K91-K95 PolarHBondContact O-N 3.44Å; A92-K95 WeakPolarHBondContact O-CB 3.42Å; A92-K95 PolarHBondContact O-N 3.01Å; A92-K95 VanDerWaalsContact O-N 3.15Å; D93-K95 PolarHBondContact O-N 2.97Å |
| 96 | Q | 62.5 | Low | 72.4 | Confident | 147 Ų | 147 | 116.6 Ų | 116.6 | 69% | 0.687 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -91 | -12.2 | 179.4 | -82 | -170.9 | -8.9 | 0 | 0 | 114.5 | A92 D93 I94 N98 | A92-Q96 PolarHBondContact O-N 3.49Å; D93-Q96 CarbonylContact O-C 3.59Å; D93-Q96 WeakPolarHBondContact O-CA 3.49Å; D93-Q96 PolarHBondContact O-N 3.37Å; I94-Q96 VanDerWaalsContact C-N 3.31Å; I94-Q96 PolarHBondContact O-N 3.45Å; Q96-N98 PolarHBondContact O-N 3.22Å |
| 97 | C | 55.5 | Low | 71.4 | Confident | 97 Ų | 97 | 114 Ų | 114 | 66% | 0.655 | 58% | 0.579 | S | S | * | * | trans | -61.9 | 104.1 | 174.7 | -80.4 | 0 | 0 | 0 | 0 | 112.1 | D93 L99 | D93-C97 PolarHBondContact O-N 3.22Å; D93-C97 VanDerWaalsContact O-N 3.07Å; C97-L99 PolarHBondContact O-N 3.39Å | ||
| 98 | N | 47.2 | Very low | 70.7 | Confident | 136 Ų | 136 | 109.9 Ų | 109.9 | 73% | 0.727 | 57% | 0.565 | S | S | * | * | trans | -64.7 | 80.2 | 178 | -73.8 | -43.7 | 0 | 0 | 0 | 113.9 | Q96 T100 | Q96-N98 PolarHBondContact O-N 3.22Å; N98-T100 WeakPolarHBondContact CA-OG1 3.22Å; N98-T100 WeakPolarHBondContact CB-OG1 3.34Å; N98-T100 PolarHBondContact O-N 3.37Å; N98-T100 PolarHBondContact OD1-OG1 3Å | ||
| 99 | L | 55.9 | Low | 70 | Confident | 135 Ų | 135 | 110.9 Ų | 110.9 | 71% | 0.707 | 57% | 0.567 | S | S | * | * | trans | -69.2 | 19.5 | 163.9 | -77.7 | 170.1 | 0 | 0 | 0 | 113.3 | C97 F103 | C97-L99 PolarHBondContact O-N 3.39Å; L99-F103 WeakPolarHBondContact O-CB 3.46Å | ||
| 100 | T | 62 | Low | 69.1 | Low | 38 Ų | 38 | 108.3 Ų | 108.3 | 23% | 0.233 | 56% | 0.559 | C | S | . | * | H | α-helix | -98.9 | -24.9 | -128.8 | 35.6 | 0 | 0 | 0 | 0 | 119.9 | N98 K104 | N98-T100 WeakPolarHBondContact CA-OG1 3.22Å; N98-T100 WeakPolarHBondContact CB-OG1 3.34Å; N98-T100 PolarHBondContact O-N 3.37Å; N98-T100 PolarHBondContact OD1-OG1 3Å; T100-K104 VanDerWaalsContact CB-CE 3.46Å; T100-K104 HydrophobicContact CG2-CD 4.08Å; T100-K104 VanDerWaalsContact CG2-CE 3.42Å; T100-K104 HydrophobicContact CG2-CG 4.13Å; T100-K104 VanDerWaalsContact O-CA 3.29Å; T100-K104 WeakPolarHBondContact O-CA 3.43Å; T100-K104 WeakPolarHBondContact O-CB 3.49Å; T100-K104 WeakPolarHBondContact O-CD 3.44Å; T100-K104 WeakPolarHBondContact O-CG 3.3Å; T100-K104 PolarHBondContact O-N 3.29Å | |
| 101 | D | 60.8 | Low | 68.8 | Low | 132 Ų | 132 | 106.8 Ų | 106.8 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -83.1 | -53.5 | -168.8 | -70 | -13.1 | 0 | 0 | 0 | 114.5 | K104 K105 | D101-K104 PolarHBondContact O-N 3.09Å; D101-K105 WeakPolarHBondContact O-CB 3.48Å; D101-K105 PolarHBondContact O-N 2.87Å |
| 102 | D | 61.3 | Low | 68.3 | Low | 139 Ų | 139 | 108.1 Ų | 108.1 | 74% | 0.743 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.1 | -34.4 | 173.6 | -88.9 | -20.2 | 0 | 0 | 0 | 112.4 | K105 K106 | D102-K105 PolarHBondContact O-N 3.2Å; D102-K106 WeakPolarHBondContact O-CB 3.2Å; D102-K106 PolarHBondContact O-N 3.41Å |
| 103 | F | 66.8 | Low | 67.8 | Low | 146 Ų | 146 | 110.1 Ų | 110.1 | 64% | 0.64 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -72.9 | -35 | 175.6 | -140.9 | -88 | 0 | 0 | 0 | 111.5 | L99 K105 S107 | L99-F103 WeakPolarHBondContact O-CB 3.46Å; F103-K105 VanDerWaalsContact C-N 3.34Å; F103-S107 WeakPolarHBondContact O-CA 3.38Å; F103-S107 WeakPolarHBondContact O-CB 3.39Å; F103-S107 PolarHBondContact O-N 2.93Å |
| 104 | K | 66.2 | Low | 67.6 | Low | 124 Ų | 124 | 111.4 Ų | 111.4 | 54% | 0.539 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.1 | -37.4 | 169.8 | -80 | 167.3 | 178.2 | 160.3 | 0 | 111 | T100 D101 G108 | T100-K104 VanDerWaalsContact CB-CE 3.46Å; T100-K104 HydrophobicContact CG2-CD 4.08Å; T100-K104 VanDerWaalsContact CG2-CE 3.42Å; T100-K104 HydrophobicContact CG2-CG 4.13Å; T100-K104 VanDerWaalsContact O-CA 3.29Å; T100-K104 WeakPolarHBondContact O-CA 3.43Å; T100-K104 WeakPolarHBondContact O-CB 3.49Å; T100-K104 WeakPolarHBondContact O-CD 3.44Å; T100-K104 WeakPolarHBondContact O-CG 3.3Å; T100-K104 PolarHBondContact O-N 3.29Å; D101-K104 PolarHBondContact O-N 3.09Å; K104-G108 PolarHBondContact O-N 2.85Å |
| 105 | K | 71.6 | Confident | 67.7 | Low | 134 Ų | 134 | 112 Ų | 112 | 58% | 0.583 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.9 | -51.5 | 178.3 | -171.4 | 179.7 | 177.9 | -176.6 | 0 | 111.3 | D101 D102 F103 S107 G108 E109 | D101-K105 WeakPolarHBondContact O-CB 3.48Å; D101-K105 PolarHBondContact O-N 2.87Å; D102-K105 PolarHBondContact O-N 3.2Å; F103-K105 VanDerWaalsContact C-N 3.34Å; K105-S107 VanDerWaalsContact C-N 3.34Å; K105-S107 PolarHBondContact O-N 3.2Å; K105-G108 PolarHBondContact O-N 3.39Å; K105-G108 VanDerWaalsContact O-N 3.15Å; K105-E109 PolarHBondContact O-N 2.97Å |
| 106 | K | 70.9 | Confident | 67.6 | Low | 131 Ų | 131 | 110.4 Ų | 110.4 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.6 | -38.9 | 176.5 | -155.3 | 78.2 | 177.6 | 178.2 | 0 | 111.9 | D102 G108 E109 I110 | D102-K106 WeakPolarHBondContact O-CB 3.2Å; D102-K106 PolarHBondContact O-N 3.41Å; K106-G108 VanDerWaalsContact C-N 3.32Å; K106-G108 PolarHBondContact O-N 2.93Å; K106-E109 PolarHBondContact O-N 3.46Å; K106-I110 HydrophobicContact CG-CD1 4.41Å; K106-I110 WeakPolarHBondContact O-CB 3.13Å; K106-I110 VanDerWaalsContact O-CG1 3.3Å; K106-I110 WeakPolarHBondContact O-CG1 3.44Å; K106-I110 PolarHBondContact O-N 3.09Å |
| 107 | S | 71.4 | Confident | 68.5 | Low | 54 Ų | 54 | 105.3 Ų | 105.3 | 38% | 0.378 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.1 | -35.6 | 172.1 | 176.2 | 0 | 0 | 0 | 0 | 112.4 | F103 K105 S111 | F103-S107 WeakPolarHBondContact O-CA 3.38Å; F103-S107 WeakPolarHBondContact O-CB 3.39Å; F103-S107 PolarHBondContact O-N 2.93Å; K105-S107 VanDerWaalsContact C-N 3.34Å; K105-S107 PolarHBondContact O-N 3.2Å; S107-S111 WeakPolarHBondContact O-CB 3.46Å; S107-S111 PolarHBondContact O-N 3.36Å; S107-S111 PolarHBondContact O-OG 3.41Å |
| 108 | G | 77.8 | Confident | 69.8 | Low | 33 Ų | 33 | 107.8 Ų | 107.8 | 34% | 0.34 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K104 K105 K106 S111 K112 | K104-G108 PolarHBondContact O-N 2.85Å; K105-G108 PolarHBondContact O-N 3.39Å; K105-G108 VanDerWaalsContact O-N 3.15Å; K106-G108 VanDerWaalsContact C-N 3.32Å; K106-G108 PolarHBondContact O-N 2.93Å; G108-S111 PolarHBondContact O-N 2.91Å; G108-K112 PolarHBondContact O-N 3.32Å |
| 109 | E | 77.4 | Confident | 71.5 | Confident | 106 Ų | 106 | 106.7 Ų | 106.7 | 50% | 0.495 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 173.4 | -72.2 | 173.2 | -171.9 | 0 | 0 | 111.7 | K105 K106 C113 | K105-E109 PolarHBondContact O-N 2.97Å; K106-E109 PolarHBondContact O-N 3.46Å; E109-C113 PolarHBondContact O-N 3.34Å; E109-C113 VanDerWaalsContact O-N 3.1Å |
| 110 | I | 71.5 | Confident | 72.9 | Confident | 92 Ų | 92 | 102 Ų | 102 | 47% | 0.472 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | 175.8 | -68.3 | 168.8 | 0 | 0 | 0 | 110.3 | K106 K112 C113 F114 | K106-I110 HydrophobicContact CG-CD1 4.41Å; K106-I110 WeakPolarHBondContact O-CB 3.13Å; K106-I110 VanDerWaalsContact O-CG1 3.3Å; K106-I110 WeakPolarHBondContact O-CG1 3.44Å; K106-I110 PolarHBondContact O-N 3.09Å; I110-K112 VanDerWaalsContact C-N 3.34Å; I110-K112 PolarHBondContact O-N 3.45Å; I110-C113 WeakPolarHBondContact O-CA 3.49Å; I110-C113 WeakPolarHBondContact O-CB 3.21Å; I110-C113 PolarHBondContact O-N 3.48Å; I110-F114 HydrophobicContact CG2-CD2 3.66Å; I110-F114 HydrophobicContact CG2-CE2 3.72Å; I110-F114 WeakPolarHBondContact O-CD2 3.38Å; I110-F114 PolarHBondContact O-N 3.28Å |
| 111 | S | 76.7 | Confident | 73.9 | Confident | 53 Ų | 53 | 103 Ų | 103 | 37% | 0.371 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -55.9 | -45.6 | 177 | -67.4 | 0 | 0 | 0 | 0 | 111.8 | S107 G108 C113 F114 E115 | S107-S111 WeakPolarHBondContact O-CB 3.46Å; S107-S111 PolarHBondContact O-N 3.36Å; S107-S111 PolarHBondContact O-OG 3.41Å; G108-S111 PolarHBondContact O-N 2.91Å; S111-C113 VanDerWaalsContact C-N 3.32Å; S111-C113 PolarHBondContact O-N 3.42Å; S111-F114 PolarHBondContact O-N 2.96Å; S111-E115 WeakPolarHBondContact O-CB 3.29Å; S111-E115 WeakPolarHBondContact O-CG 3.45Å; S111-E115 PolarHBondContact O-N 3.19Å |
| 112 | K | 76.3 | Confident | 75.1 | Confident | 142 Ų | 142 | 101.9 Ų | 101.9 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.5 | -35.1 | 174.7 | -84 | -176.3 | 175.9 | 179.7 | 0 | 113.6 | G108 I110 F114 N116 | G108-K112 PolarHBondContact O-N 3.32Å; I110-K112 VanDerWaalsContact C-N 3.34Å; I110-K112 PolarHBondContact O-N 3.45Å; K112-F114 VanDerWaalsContact C-N 3.35Å; K112-N116 PolarHBondContact O-N 2.91Å; K112-N116 PolarHBondContact O-ND2 3.35Å |
| 113 | C | 72.4 | Confident | 76.4 | Confident | 90 Ų | 90 | 99.2 Ų | 99.2 | 61% | 0.608 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.9 | -39.5 | 175.6 | -166.2 | 0 | 0 | 0 | 0 | 110.9 | E109 I110 S111 S117 | E109-C113 PolarHBondContact O-N 3.34Å; E109-C113 VanDerWaalsContact O-N 3.1Å; I110-C113 WeakPolarHBondContact O-CA 3.49Å; I110-C113 WeakPolarHBondContact O-CB 3.21Å; I110-C113 PolarHBondContact O-N 3.48Å; S111-C113 VanDerWaalsContact C-N 3.32Å; S111-C113 PolarHBondContact O-N 3.42Å; C113-S117 VanDerWaalsContact O-CB 3.3Å; C113-S117 WeakPolarHBondContact O-CB 3.27Å; C113-S117 PolarHBondContact O-N 3.01Å; C113-S117 VanDerWaalsContact O-N 3.13Å |
| 114 | F | 71.3 | Confident | 77.3 | Confident | 120 Ų | 120 | 98.5 Ų | 98.5 | 53% | 0.526 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.9 | -39.6 | 174.8 | -86.5 | -96.9 | 0 | 0 | 0 | 112.5 | I110 S111 K112 N116 S117 V120 | I110-F114 HydrophobicContact CG2-CD2 3.66Å; I110-F114 HydrophobicContact CG2-CE2 3.72Å; I110-F114 WeakPolarHBondContact O-CD2 3.38Å; I110-F114 PolarHBondContact O-N 3.28Å; S111-F114 PolarHBondContact O-N 2.96Å; K112-F114 VanDerWaalsContact C-N 3.35Å; F114-N116 VanDerWaalsContact C-N 3.3Å; F114-N116 PolarHBondContact O-N 3.27Å; F114-S117 WeakPolarHBondContact O-CB 3.38Å; F114-S117 PolarHBondContact O-N 3.04Å; F114-S117 VanDerWaalsContact O-N 3.15Å; F114-V120 HydrophobicContact CB-CG2 4.17Å; F114-V120 HydrophobicContact CD1-CG1 4.48Å; F114-V120 HydrophobicContact CD1-CG2 3.3Å; F114-V120 HydrophobicContact CE1-CG2 3.97Å; F114-V120 HydrophobicContact CG-CG2 4.09Å; F114-V120 VanDerWaalsContact O-CB 3.27Å; F114-V120 WeakPolarHBondContact O-CB 3.42Å; F114-V120 WeakPolarHBondContact O-CG2 3.3Å |
| 115 | E | 72 | Confident | 78.4 | Confident | 134 Ų | 134 | 97.3 Ų | 97.3 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.7 | -34.6 | 177.1 | -78.5 | 170.5 | 177.2 | 0 | 0 | 113 | S111 | S111-E115 WeakPolarHBondContact O-CB 3.29Å; S111-E115 WeakPolarHBondContact O-CG 3.45Å; S111-E115 PolarHBondContact O-N 3.19Å |
| 116 | N | 72.5 | Confident | 79.3 | Confident | 136 Ų | 136 | 96.6 Ų | 96.6 | 73% | 0.727 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -3.4 | 177.3 | -65.1 | -60.1 | 0 | 0 | 0 | 113.3 | K112 F114 Q118 | K112-N116 PolarHBondContact O-N 2.91Å; K112-N116 PolarHBondContact O-ND2 3.35Å; F114-N116 VanDerWaalsContact C-N 3.3Å; F114-N116 PolarHBondContact O-N 3.27Å; N116-Q118 PolarHBondContact O-N 3.02Å |
| 117 | S | 80.9 | Confident | 80.3 | Confident | 40 Ų | 40 | 95.3 Ų | 95.3 | 28% | 0.28 | 51% | 0.508 | S | S | . | . | trans | -76.7 | 114 | -179.5 | 176.2 | 0 | 0 | 0 | 0 | 109.6 | C113 F114 L119 V120 C121 | C113-S117 VanDerWaalsContact O-CB 3.3Å; C113-S117 WeakPolarHBondContact O-CB 3.27Å; C113-S117 PolarHBondContact O-N 3.01Å; C113-S117 VanDerWaalsContact O-N 3.13Å; F114-S117 WeakPolarHBondContact O-CB 3.38Å; F114-S117 PolarHBondContact O-N 3.04Å; F114-S117 VanDerWaalsContact O-N 3.15Å; S117-L119 PolarHBondContact O-N 2.9Å; S117-L119 VanDerWaalsContact O-N 3.14Å; S117-V120 WeakPolarHBondContact O-CB 3.48Å; S117-V120 PolarHBondContact O-N 3.36Å; S117-C121 PolarHBondContact O-N 2.94Å; S117-C121 VanDerWaalsContact O-N 3.17Å | ||
| 118 | Q | 83.1 | Confident | 81.1 | Confident | 148 Ų | 148 | 95.6 Ų | 95.6 | 69% | 0.692 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -56.7 | -30.8 | 176.6 | -168.1 | 169.8 | 5.9 | 0 | 0 | 112.3 | N116 Q122 | N116-Q118 PolarHBondContact O-N 3.02Å; Q118-Q122 WeakPolarHBondContact O-CB 3.41Å; Q118-Q122 VanDerWaalsContact O-CG 3.28Å; Q118-Q122 WeakPolarHBondContact O-CG 3.3Å; Q118-Q122 PolarHBondContact O-N 2.91Å |
| 119 | L | 83.6 | Confident | 81.8 | Confident | 113 Ų | 113 | 100.7 Ų | 100.7 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65 | -41.1 | 174.3 | -178.1 | 65.3 | 0 | 0 | 0 | 111.5 | S117 Q122 V123 | S117-L119 PolarHBondContact O-N 2.9Å; S117-L119 VanDerWaalsContact O-N 3.14Å; L119-Q122 PolarHBondContact O-N 2.92Å; L119-V123 HydrophobicContact CD1-CG2 4.34Å; L119-V123 HydrophobicContact CG-CG2 4.44Å; L119-V123 WeakPolarHBondContact O-CB 3.41Å; L119-V123 VanDerWaalsContact O-CG2 3.28Å; L119-V123 WeakPolarHBondContact O-CG2 3.45Å; L119-V123 PolarHBondContact O-N 3.37Å |
| 120 | V | 84.5 | Confident | 82.6 | Confident | 38 Ų | 38 | 102.6 Ų | 102.6 | 23% | 0.23 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 179.3 | 176 | 0 | 0 | 0 | 0 | 110.1 | F114 S117 Q122 V123 Q124 | F114-V120 HydrophobicContact CB-CG2 4.17Å; F114-V120 HydrophobicContact CD1-CG1 4.48Å; F114-V120 HydrophobicContact CD1-CG2 3.3Å; F114-V120 HydrophobicContact CE1-CG2 3.97Å; F114-V120 HydrophobicContact CG-CG2 4.09Å; F114-V120 VanDerWaalsContact O-CB 3.27Å; F114-V120 WeakPolarHBondContact O-CB 3.42Å; F114-V120 WeakPolarHBondContact O-CG2 3.3Å; S117-V120 WeakPolarHBondContact O-CB 3.48Å; S117-V120 PolarHBondContact O-N 3.36Å; V120-Q122 VanDerWaalsContact C-N 3.33Å; V120-Q122 PolarHBondContact O-N 2.91Å; V120-V123 PolarHBondContact O-N 2.98Å; V120-Q124 VanDerWaalsContact O-CB 3.26Å; V120-Q124 WeakPolarHBondContact O-CB 3.27Å; V120-Q124 PolarHBondContact O-N 3.37Å |
| 121 | C | 82.8 | Confident | 83.4 | Confident | 57 Ų | 57 | 102 Ų | 102 | 39% | 0.385 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.1 | -45.3 | 174.1 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | S117 Q124 D125 | S117-C121 PolarHBondContact O-N 2.94Å; S117-C121 VanDerWaalsContact O-N 3.17Å; C121-Q124 PolarHBondContact O-N 3.5Å; C121-D125 WeakPolarHBondContact O-CB 3.35Å; C121-D125 PolarHBondContact O-N 3.43Å |
| 122 | Q | 87.3 | Confident | 83.9 | Confident | 110 Ų | 110 | 104 Ų | 104 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 178.2 | -75.9 | 176.5 | -12.5 | 0 | 0 | 112.9 | Q118 L119 V120 D125 L126 | Q118-Q122 WeakPolarHBondContact O-CB 3.41Å; Q118-Q122 VanDerWaalsContact O-CG 3.28Å; Q118-Q122 WeakPolarHBondContact O-CG 3.3Å; Q118-Q122 PolarHBondContact O-N 2.91Å; L119-Q122 PolarHBondContact O-N 2.92Å; V120-Q122 VanDerWaalsContact C-N 3.33Å; V120-Q122 PolarHBondContact O-N 2.91Å; Q122-D125 PolarHBondContact O-N 3.49Å; Q122-L126 VanDerWaalsContact O-CB 3.32Å; Q122-L126 WeakPolarHBondContact O-CB 3.42Å; Q122-L126 PolarHBondContact O-N 3.31Å |
| 123 | V | 87.6 | Confident | 84.7 | Confident | 83 Ų | 83 | 101.4 Ų | 101.4 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 175.7 | 170 | 0 | 0 | 0 | 0 | 110.2 | L119 V120 L126 L127 | L119-V123 HydrophobicContact CD1-CG2 4.34Å; L119-V123 HydrophobicContact CG-CG2 4.44Å; L119-V123 WeakPolarHBondContact O-CB 3.41Å; L119-V123 VanDerWaalsContact O-CG2 3.28Å; L119-V123 WeakPolarHBondContact O-CG2 3.45Å; L119-V123 PolarHBondContact O-N 3.37Å; V120-V123 PolarHBondContact O-N 2.98Å; V123-L126 PolarHBondContact O-N 3.02Å; V123-L127 VanDerWaalsContact O-CB 3.24Å; V123-L127 WeakPolarHBondContact O-CB 3.49Å; V123-L127 PolarHBondContact O-N 3.38Å |
| 124 | Q | 86.7 | Confident | 85.5 | Confident | 131 Ų | 131 | 102 Ų | 102 | 61% | 0.612 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66 | -40.3 | 178.5 | -160.3 | 170.7 | 6.9 | 0 | 0 | 111.6 | V120 C121 L127 S128 | V120-Q124 VanDerWaalsContact O-CB 3.26Å; V120-Q124 WeakPolarHBondContact O-CB 3.27Å; V120-Q124 PolarHBondContact O-N 3.37Å; C121-Q124 PolarHBondContact O-N 3.5Å; Q124-L127 PolarHBondContact O-N 3.47Å; Q124-S128 VanDerWaalsContact O-CB 3.25Å; Q124-S128 WeakPolarHBondContact O-CB 3.11Å; Q124-S128 PolarHBondContact O-N 3.36Å |
| 125 | D | 87.4 | Confident | 86.2 | Confident | 98 Ų | 98 | 101 Ų | 101 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 172.2 | -83.9 | -9.3 | 0 | 0 | 0 | 112.1 | C121 Q122 S128 K129 | C121-D125 WeakPolarHBondContact O-CB 3.35Å; C121-D125 PolarHBondContact O-N 3.43Å; Q122-D125 PolarHBondContact O-N 3.49Å; D125-S128 PolarHBondContact O-N 2.66Å; D125-K129 WeakPolarHBondContact O-CB 3.31Å; D125-K129 VanDerWaalsContact O-CG 3.28Å; D125-K129 WeakPolarHBondContact O-CG 3.43Å; D125-K129 PolarHBondContact O-N 3.16Å |
| 126 | L | 90.7 | Very high | 87.1 | Confident | 120 Ų | 120 | 101.5 Ų | 101.5 | 63% | 0.628 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.6 | -42.4 | 178.2 | -174 | 65.7 | 0 | 0 | 0 | 111.3 | Q122 V123 K129 Y130 | Q122-L126 VanDerWaalsContact O-CB 3.32Å; Q122-L126 WeakPolarHBondContact O-CB 3.42Å; Q122-L126 PolarHBondContact O-N 3.31Å; V123-L126 PolarHBondContact O-N 3.02Å; L126-K129 PolarHBondContact O-N 3.27Å; L126-Y130 WeakPolarHBondContact O-CB 3.39Å; L126-Y130 PolarHBondContact O-N 2.96Å |
| 127 | L | 91.9 | Very high | 88 | Confident | 103 Ų | 103 | 101.7 Ų | 101.7 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 176.8 | -159.9 | 79.1 | 0 | 0 | 0 | 110.8 | V123 Q124 Y130 L131 | V123-L127 VanDerWaalsContact O-CB 3.24Å; V123-L127 WeakPolarHBondContact O-CB 3.49Å; V123-L127 PolarHBondContact O-N 3.38Å; Q124-L127 PolarHBondContact O-N 3.47Å; L127-Y130 PolarHBondContact O-N 3.29Å; L127-L131 HydrophobicContact CG-CD1 4.32Å; L127-L131 WeakPolarHBondContact O-CB 3.48Å; L127-L131 WeakPolarHBondContact O-CG 3.43Å; L127-L131 PolarHBondContact O-N 3.16Å |
| 128 | S | 89.6 | Confident | 88.5 | Confident | 61 Ų | 61 | 104.8 Ų | 104.8 | 43% | 0.427 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 174.3 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | Q124 D125 Y130 L131 N132 | Q124-S128 VanDerWaalsContact O-CB 3.25Å; Q124-S128 WeakPolarHBondContact O-CB 3.11Å; Q124-S128 PolarHBondContact O-N 3.36Å; D125-S128 PolarHBondContact O-N 2.66Å; S128-Y130 PolarHBondContact O-N 2.97Å; S128-L131 PolarHBondContact O-N 3.02Å; S128-N132 WeakPolarHBondContact O-CB 3.27Å; S128-N132 VanDerWaalsContact O-CG 3.31Å; S128-N132 PolarHBondContact O-N 3.46Å; S128-N132 PolarHBondContact O-ND2 2.88Å |
| 129 | K | 91 | Very high | 88.9 | Confident | 140 Ų | 140 | 106.2 Ų | 106.2 | 61% | 0.609 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.9 | -44.1 | 174.2 | -73 | 167.3 | -174.7 | 169.8 | 0 | 111.9 | D125 L126 N132 L133 | D125-K129 WeakPolarHBondContact O-CB 3.31Å; D125-K129 VanDerWaalsContact O-CG 3.28Å; D125-K129 WeakPolarHBondContact O-CG 3.43Å; D125-K129 PolarHBondContact O-N 3.16Å; L126-K129 PolarHBondContact O-N 3.27Å; K129-N132 PolarHBondContact O-N 2.88Å; K129-L133 WeakPolarHBondContact O-CB 3.33Å; K129-L133 PolarHBondContact O-N 3.27Å |
| 130 | Y | 94 | Very high | 89.3 | Confident | 145 Ų | 145 | 102.7 Ų | 102.7 | 57% | 0.569 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.8 | -46.2 | 178.1 | -174 | -89 | 0 | 0 | 0 | 111.9 | L126 L127 S128 N132 L133 E134 | L126-Y130 WeakPolarHBondContact O-CB 3.39Å; L126-Y130 PolarHBondContact O-N 2.96Å; L127-Y130 PolarHBondContact O-N 3.29Å; S128-Y130 PolarHBondContact O-N 2.97Å; Y130-N132 VanDerWaalsContact C-N 3.33Å; Y130-N132 PolarHBondContact O-N 2.67Å; Y130-L133 WeakPolarHBondContact O-CB 3.46Å; Y130-L133 PolarHBondContact O-N 3.45Å; Y130-L133 VanDerWaalsContact O-N 3.12Å; Y130-E134 HydrophobicContact CE1-CB 4.43Å; Y130-E134 WeakPolarHBondContact O-CB 3.46Å; Y130-E134 PolarHBondContact O-N 2.92Å |
| 131 | L | 89.3 | Confident | 89.7 | Confident | 80 Ų | 80 | 104.3 Ų | 104.3 | 42% | 0.419 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 176.6 | -79.6 | 166.5 | 0 | 0 | 0 | 111.8 | L127 S128 L133 E134 Q135 | L127-L131 HydrophobicContact CG-CD1 4.32Å; L127-L131 WeakPolarHBondContact O-CB 3.48Å; L127-L131 WeakPolarHBondContact O-CG 3.43Å; L127-L131 PolarHBondContact O-N 3.16Å; S128-L131 PolarHBondContact O-N 3.02Å; L131-L133 VanDerWaalsContact C-N 3.32Å; L131-L133 PolarHBondContact O-N 3.42Å; L131-E134 PolarHBondContact O-N 3.44Å; L131-Q135 WeakPolarHBondContact O-CB 3.48Å; L131-Q135 WeakPolarHBondContact O-CG 3.5Å; L131-Q135 PolarHBondContact O-N 3.34Å |
| 132 | N | 87.5 | Confident | 90.2 | Very high | 94 Ų | 94 | 106 Ų | 106 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 175.1 | -76.8 | -41.8 | 0 | 0 | 0 | 111.8 | S128 K129 Y130 Y136 | S128-N132 WeakPolarHBondContact O-CB 3.27Å; S128-N132 VanDerWaalsContact O-CG 3.31Å; S128-N132 PolarHBondContact O-N 3.46Å; S128-N132 PolarHBondContact O-ND2 2.88Å; K129-N132 PolarHBondContact O-N 2.88Å; Y130-N132 VanDerWaalsContact C-N 3.33Å; Y130-N132 PolarHBondContact O-N 2.67Å; N132-Y136 WeakPolarHBondContact O-CB 3.33Å; N132-Y136 PolarHBondContact O-N 3.32Å |
| 133 | L | 92 | Very high | 90.4 | Very high | 89 Ų | 89 | 106.7 Ų | 106.7 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.5 | -44.5 | 177 | -169.9 | 68.7 | 0 | 0 | 0 | 111.5 | K129 Y130 L131 Y136 Y137 | K129-L133 WeakPolarHBondContact O-CB 3.33Å; K129-L133 PolarHBondContact O-N 3.27Å; Y130-L133 WeakPolarHBondContact O-CB 3.46Å; Y130-L133 PolarHBondContact O-N 3.45Å; Y130-L133 VanDerWaalsContact O-N 3.12Å; L131-L133 VanDerWaalsContact C-N 3.32Å; L131-L133 PolarHBondContact O-N 3.42Å; L133-Y136 WeakPolarHBondContact O-CB 3.5Å; L133-Y136 PolarHBondContact O-N 2.9Å; L133-Y137 HydrophobicContact CD1-CD2 4.2Å; L133-Y137 HydrophobicContact CD1-CE2 3.73Å; L133-Y137 HydrophobicContact CD2-CE2 4.15Å; L133-Y137 HydrophobicContact CG-CD2 3.87Å; L133-Y137 HydrophobicContact CG-CE2 3.67Å; L133-Y137 VanDerWaalsContact O-CD2 3.22Å; L133-Y137 WeakPolarHBondContact O-CD2 3.42Å; L133-Y137 PolarHBondContact O-N 3.31Å |
| 134 | E | 89.5 | Confident | 90.7 | Very high | 102 Ų | 102 | 109.2 Ų | 109.2 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.4 | -45.1 | 176.7 | -174 | 174.2 | -155.2 | 0 | 0 | 111.4 | Y130 L131 Y136 Y137 L138 | Y130-E134 HydrophobicContact CE1-CB 4.43Å; Y130-E134 WeakPolarHBondContact O-CB 3.46Å; Y130-E134 PolarHBondContact O-N 2.92Å; L131-E134 PolarHBondContact O-N 3.44Å; E134-Y136 VanDerWaalsContact C-N 3.31Å; E134-Y136 PolarHBondContact O-N 3.27Å; E134-Y137 PolarHBondContact O-N 3.49Å; E134-L138 WeakPolarHBondContact O-CB 3.44Å; E134-L138 PolarHBondContact O-N 2.94Å |
| 135 | Q | 85.5 | Confident | 91 | Very high | 98 Ų | 98 | 108.8 Ų | 108.8 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 173.2 | -77.4 | -174.2 | 17 | 0 | 0 | 112.1 | L131 L138 R139 | L131-Q135 WeakPolarHBondContact O-CB 3.48Å; L131-Q135 WeakPolarHBondContact O-CG 3.5Å; L131-Q135 PolarHBondContact O-N 3.34Å; Q135-L138 PolarHBondContact O-N 3.26Å; Q135-R139 WeakPolarHBondContact O-CB 3.44Å; Q135-R139 WeakPolarHBondContact O-CG 3.34Å; Q135-R139 PolarHBondContact O-N 2.99Å |
| 136 | Y | 92.3 | Very high | 91.2 | Very high | 145 Ų | 145 | 107.4 Ų | 107.4 | 57% | 0.569 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.5 | -49.8 | 175.9 | 174 | -95.3 | 0 | 0 | 0 | 111.4 | N132 L133 E134 L138 R139 V140 | N132-Y136 WeakPolarHBondContact O-CB 3.33Å; N132-Y136 PolarHBondContact O-N 3.32Å; L133-Y136 WeakPolarHBondContact O-CB 3.5Å; L133-Y136 PolarHBondContact O-N 2.9Å; E134-Y136 VanDerWaalsContact C-N 3.31Å; E134-Y136 PolarHBondContact O-N 3.27Å; Y136-L138 VanDerWaalsContact C-N 3.32Å; Y136-L138 PolarHBondContact O-N 2.9Å; Y136-R139 PolarHBondContact O-N 2.9Å; Y136-V140 HydrophobicContact CD1-CG2 4.29Å; Y136-V140 HydrophobicContact CD2-CG2 4.44Å; Y136-V140 HydrophobicContact CE1-CG2 3.86Å; Y136-V140 HydrophobicContact CE2-CG2 4.03Å; Y136-V140 WeakPolarHBondContact O-CG2 3.38Å; Y136-V140 PolarHBondContact O-N 3.44Å |
| 137 | Y | 90.7 | Very high | 91.4 | Very high | 140 Ų | 140 | 106.3 Ų | 106.3 | 55% | 0.549 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | 178.2 | -84.9 | -68.8 | 0 | 0 | 0 | 112.6 | L133 E134 V140 T141 | L133-Y137 HydrophobicContact CD1-CD2 4.2Å; L133-Y137 HydrophobicContact CD1-CE2 3.73Å; L133-Y137 HydrophobicContact CD2-CE2 4.15Å; L133-Y137 HydrophobicContact CG-CD2 3.87Å; L133-Y137 HydrophobicContact CG-CE2 3.67Å; L133-Y137 VanDerWaalsContact O-CD2 3.22Å; L133-Y137 WeakPolarHBondContact O-CD2 3.42Å; L133-Y137 PolarHBondContact O-N 3.31Å; E134-Y137 PolarHBondContact O-N 3.49Å; Y137-V140 PolarHBondContact O-N 2.93Å; Y137-T141 WeakPolarHBondContact O-CB 3.31Å; Y137-T141 PolarHBondContact O-N 3.39Å; Y137-T141 PolarHBondContact O-OG1 3.17Å |
| 138 | L | 91.6 | Very high | 91.5 | Very high | 106 Ų | 106 | 105.5 Ų | 105.5 | 56% | 0.555 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -47.2 | 176.2 | -175.1 | 61.8 | 0 | 0 | 0 | 111.1 | E134 Q135 Y136 V140 T141 I142 | E134-L138 WeakPolarHBondContact O-CB 3.44Å; E134-L138 PolarHBondContact O-N 2.94Å; Q135-L138 PolarHBondContact O-N 3.26Å; Y136-L138 VanDerWaalsContact C-N 3.32Å; Y136-L138 PolarHBondContact O-N 2.9Å; L138-V140 VanDerWaalsContact C-N 3.34Å; L138-V140 PolarHBondContact O-N 3.41Å; L138-T141 PolarHBondContact O-N 3.46Å; L138-I142 HydrophobicContact CD1-CD1 4.13Å; L138-I142 HydrophobicContact CD1-CG1 4.37Å; L138-I142 HydrophobicContact CG-CD1 3.92Å; L138-I142 WeakPolarHBondContact O-CG1 3.45Å; L138-I142 PolarHBondContact O-N 3.33Å |
| 139 | R | 90.9 | Very high | 91.7 | Very high | 177 Ų | 177 | 109.2 Ų | 109.2 | 67% | 0.668 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.5 | -44.9 | 175.4 | -74.7 | -180 | -170.6 | -179.4 | 6.2 | 111.7 | Q135 Y136 T141 M143 | Q135-R139 WeakPolarHBondContact O-CB 3.44Å; Q135-R139 WeakPolarHBondContact O-CG 3.34Å; Q135-R139 PolarHBondContact O-N 2.99Å; Y136-R139 PolarHBondContact O-N 2.9Å; R139-T141 VanDerWaalsContact C-N 3.33Å; R139-T141 PolarHBondContact O-N 3.13Å; R139-M143 WeakPolarHBondContact O-CB 3.36Å; R139-M143 PolarHBondContact O-N 3.47Å |
| 140 | V | 92.5 | Very high | 91.8 | Very high | 39 Ų | 39 | 107.7 Ų | 107.7 | 24% | 0.236 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 176.9 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | Y136 Y137 L138 M143 K144 | Y136-V140 HydrophobicContact CD1-CG2 4.29Å; Y136-V140 HydrophobicContact CD2-CG2 4.44Å; Y136-V140 HydrophobicContact CE1-CG2 3.86Å; Y136-V140 HydrophobicContact CE2-CG2 4.03Å; Y136-V140 WeakPolarHBondContact O-CG2 3.38Å; Y136-V140 PolarHBondContact O-N 3.44Å; Y137-V140 PolarHBondContact O-N 2.93Å; L138-V140 VanDerWaalsContact C-N 3.34Å; L138-V140 PolarHBondContact O-N 3.41Å; V140-M143 PolarHBondContact O-N 3.37Å; V140-K144 HydrophobicContact CG1-CD 4.22Å; V140-K144 WeakPolarHBondContact O-CB 3.5Å; V140-K144 WeakPolarHBondContact O-CG 3.5Å; V140-K144 PolarHBondContact O-N 2.97Å |
| 141 | T | 93.6 | Very high | 91.8 | Very high | 73 Ų | 73 | 108.4 Ų | 108.4 | 45% | 0.448 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.7 | -45.9 | -179.7 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | Y137 L138 R139 M143 K144 M145 | Y137-T141 WeakPolarHBondContact O-CB 3.31Å; Y137-T141 PolarHBondContact O-N 3.39Å; Y137-T141 PolarHBondContact O-OG1 3.17Å; L138-T141 PolarHBondContact O-N 3.46Å; R139-T141 VanDerWaalsContact C-N 3.33Å; R139-T141 PolarHBondContact O-N 3.13Å; T141-M143 VanDerWaalsContact C-N 3.34Å; T141-M143 PolarHBondContact O-N 3.01Å; T141-K144 PolarHBondContact O-N 3.44Å; T141-M145 PolarHBondContact O-N 3.35Å |
| 142 | I | 91.7 | Very high | 92.1 | Very high | 91 Ų | 91 | 108.2 Ų | 108.2 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 174.6 | -67.9 | 168.4 | 0 | 0 | 0 | 109.8 | L138 K144 M145 C146 | L138-I142 HydrophobicContact CD1-CD1 4.13Å; L138-I142 HydrophobicContact CD1-CG1 4.37Å; L138-I142 HydrophobicContact CG-CD1 3.92Å; L138-I142 WeakPolarHBondContact O-CG1 3.45Å; L138-I142 PolarHBondContact O-N 3.33Å; I142-K144 VanDerWaalsContact C-N 3.34Å; I142-K144 PolarHBondContact O-N 2.88Å; I142-M145 WeakPolarHBondContact O-CB 3.5Å; I142-M145 PolarHBondContact O-N 3.18Å; I142-M145 VanDerWaalsContact O-N 3.1Å; I142-C146 PolarHBondContact O-N 3.41Å; I142-C146 PolarHBondContact O-SG 3.25Å; I142-C146 VanDerWaalsContact O-SG 3.35Å |
| 143 | M | 93.3 | Very high | 92.5 | Very high | 126 Ų | 126 | 106.1 Ų | 106.1 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.2 | -41.8 | 179.5 | -170.2 | 167.9 | 176.4 | 0 | 0 | 112 | R139 V140 T141 M145 C146 I147 | R139-M143 WeakPolarHBondContact O-CB 3.36Å; R139-M143 PolarHBondContact O-N 3.47Å; V140-M143 PolarHBondContact O-N 3.37Å; T141-M143 VanDerWaalsContact C-N 3.34Å; T141-M143 PolarHBondContact O-N 3.01Å; M143-M145 VanDerWaalsContact C-N 3.33Å; M143-M145 PolarHBondContact O-N 2.98Å; M143-C146 PolarHBondContact O-N 3.44Å; M143-I147 HydrophobicContact CE-CD1 4.36Å; M143-I147 HydrophobicContact CG-CD1 3.96Å; M143-I147 WeakPolarHBondContact O-CB 3.33Å; M143-I147 WeakPolarHBondContact O-CD1 3.46Å; M143-I147 WeakPolarHBondContact O-CG1 3.44Å; M143-I147 PolarHBondContact O-N 2.92Å |
| 144 | K | 93.8 | Very high | 92.6 | Very high | 135 Ų | 135 | 105.8 Ų | 105.8 | 59% | 0.587 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.2 | -40.7 | 173.4 | -78.1 | 177.2 | 178.3 | -179.5 | 0 | 112.3 | V140 T141 I142 T148 | V140-K144 HydrophobicContact CG1-CD 4.22Å; V140-K144 WeakPolarHBondContact O-CB 3.5Å; V140-K144 WeakPolarHBondContact O-CG 3.5Å; V140-K144 PolarHBondContact O-N 2.97Å; T141-K144 PolarHBondContact O-N 3.44Å; I142-K144 VanDerWaalsContact C-N 3.34Å; I142-K144 PolarHBondContact O-N 2.88Å; K144-T148 WeakPolarHBondContact O-CB 3.49Å; K144-T148 PolarHBondContact O-N 3.05Å; K144-T148 PolarHBondContact O-OG1 2.69Å |
| 145 | M | 92.4 | Very high | 92.9 | Very high | 123 Ų | 123 | 104.2 Ų | 104.2 | 61% | 0.606 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.7 | -48.9 | 178.4 | -166.1 | 178.2 | -59.9 | 0 | 0 | 111.1 | T141 I142 M143 I147 T148 E149 | T141-M145 PolarHBondContact O-N 3.35Å; I142-M145 WeakPolarHBondContact O-CB 3.5Å; I142-M145 PolarHBondContact O-N 3.18Å; I142-M145 VanDerWaalsContact O-N 3.1Å; M143-M145 VanDerWaalsContact C-N 3.33Å; M143-M145 PolarHBondContact O-N 2.98Å; M145-I147 VanDerWaalsContact C-N 3.35Å; M145-I147 PolarHBondContact O-N 2.89Å; M145-T148 WeakPolarHBondContact O-CB 3.4Å; M145-T148 PolarHBondContact O-N 3.39Å; M145-T148 VanDerWaalsContact O-N 3.07Å; M145-E149 PolarHBondContact O-N 3.25Å |
| 146 | C | 92.2 | Very high | 93.3 | Very high | 69 Ų | 69 | 104.4 Ų | 104.4 | 47% | 0.466 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 176.5 | -64.8 | 0 | 0 | 0 | 0 | 112.2 | I142 M143 T148 E149 L150 | I142-C146 PolarHBondContact O-N 3.41Å; I142-C146 PolarHBondContact O-SG 3.25Å; I142-C146 VanDerWaalsContact O-SG 3.35Å; M143-C146 PolarHBondContact O-N 3.44Å; C146-T148 VanDerWaalsContact C-N 3.28Å; C146-T148 PolarHBondContact O-N 2.9Å; C146-E149 PolarHBondContact O-N 3.46Å; C146-L150 WeakPolarHBondContact O-CB 3.37Å; C146-L150 PolarHBondContact O-N 3.15Å |
| 147 | I | 95 | Very high | 93.4 | Very high | 97 Ų | 97 | 103.7 Ų | 103.7 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61 | -41 | 174.9 | -72.6 | 167.4 | 0 | 0 | 0 | 110.5 | M143 M145 K151 | M143-I147 HydrophobicContact CE-CD1 4.36Å; M143-I147 HydrophobicContact CG-CD1 3.96Å; M143-I147 WeakPolarHBondContact O-CB 3.33Å; M143-I147 WeakPolarHBondContact O-CD1 3.46Å; M143-I147 WeakPolarHBondContact O-CG1 3.44Å; M143-I147 PolarHBondContact O-N 2.92Å; M145-I147 VanDerWaalsContact C-N 3.35Å; M145-I147 PolarHBondContact O-N 2.89Å; I147-K151 WeakPolarHBondContact O-CB 3.44Å; I147-K151 PolarHBondContact O-N 3Å |
| 148 | T | 94 | Very high | 93.7 | Very high | 86 Ų | 86 | 101.6 Ų | 101.6 | 53% | 0.528 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68 | -45.8 | 179.9 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | K144 M145 C146 K151 V152 | K144-T148 WeakPolarHBondContact O-CB 3.49Å; K144-T148 PolarHBondContact O-N 3.05Å; K144-T148 PolarHBondContact O-OG1 2.69Å; M145-T148 WeakPolarHBondContact O-CB 3.4Å; M145-T148 PolarHBondContact O-N 3.39Å; M145-T148 VanDerWaalsContact O-N 3.07Å; C146-T148 VanDerWaalsContact C-N 3.28Å; C146-T148 PolarHBondContact O-N 2.9Å; T148-K151 WeakPolarHBondContact O-CB 3.45Å; T148-K151 PolarHBondContact O-N 3.18Å; T148-V152 WeakPolarHBondContact O-CG2 3.24Å; T148-V152 PolarHBondContact O-N 2.89Å |
| 149 | E | 93.8 | Very high | 93.9 | Very high | 138 Ų | 138 | 101.3 Ų | 101.3 | 65% | 0.645 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.4 | -44.6 | 178.5 | -172.8 | 174.4 | -169.7 | 0 | 0 | 111.8 | M145 C146 K151 V152 S153 | M145-E149 PolarHBondContact O-N 3.25Å; C146-E149 PolarHBondContact O-N 3.46Å; E149-K151 VanDerWaalsContact C-N 3.3Å; E149-K151 PolarHBondContact O-N 3.07Å; E149-V152 PolarHBondContact O-N 3.33Å; E149-S153 WeakPolarHBondContact O-CB 3.23Å; E149-S153 PolarHBondContact O-N 3.26Å |
| 150 | L | 93.1 | Very high | 94.1 | Very high | 108 Ų | 108 | 95.7 Ų | 95.7 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.3 | -42.2 | 175 | -175.3 | 66.9 | 0 | 0 | 0 | 111.1 | C146 S153 I154 | C146-L150 WeakPolarHBondContact O-CB 3.37Å; C146-L150 PolarHBondContact O-N 3.15Å; L150-S153 PolarHBondContact O-N 3Å; L150-I154 HydrophobicContact CD1-CD1 3.94Å; L150-I154 HydrophobicContact CD1-CG1 4.26Å; L150-I154 HydrophobicContact CD2-CD1 4.41Å; L150-I154 HydrophobicContact CG-CD1 3.78Å; L150-I154 HydrophobicContact CG-CG1 4.42Å; L150-I154 WeakPolarHBondContact O-CB 3.49Å; L150-I154 VanDerWaalsContact O-CG1 3.27Å; L150-I154 WeakPolarHBondContact O-CG1 3.5Å; L150-I154 PolarHBondContact O-N 3.11Å |
| 151 | K | 94.2 | Very high | 94.3 | Very high | 160 Ų | 160 | 99.4 Ų | 99.4 | 70% | 0.696 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.9 | -45.7 | 176.5 | -178.4 | -175.1 | 175.4 | -172.8 | 0 | 111.7 | I147 T148 E149 S155 | I147-K151 WeakPolarHBondContact O-CB 3.44Å; I147-K151 PolarHBondContact O-N 3Å; T148-K151 WeakPolarHBondContact O-CB 3.45Å; T148-K151 PolarHBondContact O-N 3.18Å; E149-K151 VanDerWaalsContact C-N 3.3Å; E149-K151 PolarHBondContact O-N 3.07Å; K151-S155 VanDerWaalsContact O-CB 3.29Å; K151-S155 WeakPolarHBondContact O-CB 3.28Å; K151-S155 PolarHBondContact O-N 3.22Å |
| 152 | V | 94.8 | Very high | 94.4 | Very high | 77 Ų | 77 | 100.1 Ų | 100.1 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.9 | -48.8 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | T148 E149 I154 S155 D156 | T148-V152 WeakPolarHBondContact O-CG2 3.24Å; T148-V152 PolarHBondContact O-N 2.89Å; E149-V152 PolarHBondContact O-N 3.33Å; V152-I154 PolarHBondContact O-N 3.39Å; V152-S155 WeakPolarHBondContact O-CB 3.42Å; V152-S155 PolarHBondContact O-N 3.45Å; V152-S155 VanDerWaalsContact O-N 3.11Å; V152-D156 PolarHBondContact O-N 3.08Å |
| 153 | S | 95 | Very high | 94.6 | Very high | 49 Ų | 49 | 99.6 Ų | 99.6 | 34% | 0.343 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -45.4 | -179.3 | -176 | 0 | 0 | 0 | 0 | 112.8 | E149 L150 S155 D156 Q157 | E149-S153 WeakPolarHBondContact O-CB 3.23Å; E149-S153 PolarHBondContact O-N 3.26Å; L150-S153 PolarHBondContact O-N 3Å; S153-S155 VanDerWaalsContact C-N 3.33Å; S153-S155 PolarHBondContact O-N 2.97Å; S153-D156 PolarHBondContact O-N 2.85Å; S153-Q157 WeakPolarHBondContact O-CB 3.2Å; S153-Q157 VanDerWaalsContact O-CG 3.3Å; S153-Q157 WeakPolarHBondContact O-CG 2.95Å; S153-Q157 PolarHBondContact O-N 3.25Å |
| 154 | I | 94.9 | Very high | 94.7 | Very high | 82 Ų | 82 | 97.3 Ų | 97.3 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 175.7 | -70.5 | 172.5 | 0 | 0 | 0 | 110.3 | L150 V152 Q157 L158 | L150-I154 HydrophobicContact CD1-CD1 3.94Å; L150-I154 HydrophobicContact CD1-CG1 4.26Å; L150-I154 HydrophobicContact CD2-CD1 4.41Å; L150-I154 HydrophobicContact CG-CD1 3.78Å; L150-I154 HydrophobicContact CG-CG1 4.42Å; L150-I154 WeakPolarHBondContact O-CB 3.49Å; L150-I154 VanDerWaalsContact O-CG1 3.27Å; L150-I154 WeakPolarHBondContact O-CG1 3.5Å; L150-I154 PolarHBondContact O-N 3.11Å; V152-I154 PolarHBondContact O-N 3.39Å; I154-Q157 PolarHBondContact O-N 3.04Å; I154-L158 HydrophobicContact CG2-CD1 3.71Å; I154-L158 HydrophobicContact CG2-CG 4.23Å; I154-L158 VanDerWaalsContact O-CB 3.3Å; I154-L158 WeakPolarHBondContact O-CB 3.48Å; I154-L158 VanDerWaalsContact O-CG 3.27Å; I154-L158 WeakPolarHBondContact O-CG 3.41Å; I154-L158 PolarHBondContact O-N 2.96Å |
| 155 | S | 95.8 | Very high | 94.8 | Very high | 69 Ų | 69 | 93.7 Ų | 93.7 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 177.9 | -167.9 | 0 | 0 | 0 | 0 | 111.6 | K151 V152 S153 L158 Q159 | K151-S155 VanDerWaalsContact O-CB 3.29Å; K151-S155 WeakPolarHBondContact O-CB 3.28Å; K151-S155 PolarHBondContact O-N 3.22Å; V152-S155 WeakPolarHBondContact O-CB 3.42Å; V152-S155 PolarHBondContact O-N 3.45Å; V152-S155 VanDerWaalsContact O-N 3.11Å; S153-S155 VanDerWaalsContact C-N 3.33Å; S153-S155 PolarHBondContact O-N 2.97Å; S155-L158 PolarHBondContact O-N 3.3Å; S155-Q159 WeakPolarHBondContact O-CB 3.25Å; S155-Q159 PolarHBondContact O-N 3.18Å |
| 156 | D | 94 | Very high | 94.9 | Very high | 103 Ų | 103 | 94.3 Ų | 94.3 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.2 | -41.3 | -179.5 | -66.8 | -16.8 | 0 | 0 | 0 | 111.6 | V152 S153 Q159 A160 | V152-D156 PolarHBondContact O-N 3.08Å; S153-D156 PolarHBondContact O-N 2.85Å; D156-Q159 PolarHBondContact O-N 2.71Å; D156-A160 WeakPolarHBondContact O-CB 3.38Å; D156-A160 PolarHBondContact O-N 2.84Å |
| 157 | Q | 95.4 | Very high | 94.9 | Very high | 129 Ų | 129 | 96.8 Ų | 96.8 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.1 | -42.2 | 176.5 | -74.1 | 178.9 | 12.2 | 0 | 0 | 112.1 | S153 I154 Q159 A160 L161 | S153-Q157 WeakPolarHBondContact O-CB 3.2Å; S153-Q157 VanDerWaalsContact O-CG 3.3Å; S153-Q157 WeakPolarHBondContact O-CG 2.95Å; S153-Q157 PolarHBondContact O-N 3.25Å; I154-Q157 PolarHBondContact O-N 3.04Å; Q157-Q159 VanDerWaalsContact C-N 3.33Å; Q157-A160 PolarHBondContact O-N 2.96Å; Q157-L161 WeakPolarHBondContact O-CB 3.5Å; Q157-L161 PolarHBondContact O-N 3.46Å |
| 158 | L | 95.6 | Very high | 94.8 | Very high | 97 Ų | 97 | 97.7 Ų | 97.7 | 51% | 0.508 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 174.8 | -76.5 | 172.9 | 0 | 0 | 0 | 111.1 | I154 S155 L161 L162 | I154-L158 HydrophobicContact CG2-CD1 3.71Å; I154-L158 HydrophobicContact CG2-CG 4.23Å; I154-L158 VanDerWaalsContact O-CB 3.3Å; I154-L158 WeakPolarHBondContact O-CB 3.48Å; I154-L158 VanDerWaalsContact O-CG 3.27Å; I154-L158 WeakPolarHBondContact O-CG 3.41Å; I154-L158 PolarHBondContact O-N 2.96Å; S155-L158 PolarHBondContact O-N 3.3Å; L158-L161 PolarHBondContact O-N 3.26Å; L158-L162 WeakPolarHBondContact O-CB 3.32Å; L158-L162 VanDerWaalsContact O-CG 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.46Å; L158-L162 PolarHBondContact O-N 3.01Å |
| 159 | Q | 95.7 | Very high | 94.7 | Very high | 99 Ų | 99 | 97.5 Ų | 97.5 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 176.6 | -171.2 | 61.3 | 54.7 | 0 | 0 | 111.3 | S155 D156 Q157 L161 L162 D163 | S155-Q159 WeakPolarHBondContact O-CB 3.25Å; S155-Q159 PolarHBondContact O-N 3.18Å; D156-Q159 PolarHBondContact O-N 2.71Å; Q157-Q159 VanDerWaalsContact C-N 3.33Å; Q159-L161 VanDerWaalsContact C-N 3.32Å; Q159-L161 PolarHBondContact O-N 3.3Å; Q159-L162 WeakPolarHBondContact O-CB 3.49Å; Q159-L162 PolarHBondContact O-N 3.45Å; Q159-D163 PolarHBondContact NE2-OD1 3.46Å; Q159-D163 WeakPolarHBondContact O-CB 3.49Å; Q159-D163 PolarHBondContact O-N 2.89Å |
| 160 | A | 95.4 | Very high | 94.6 | Very high | 59 Ų | 59 | 93.3 Ų | 93.3 | 49% | 0.488 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -37 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D156 Q157 S164 | D156-A160 WeakPolarHBondContact O-CB 3.38Å; D156-A160 PolarHBondContact O-N 2.84Å; Q157-A160 PolarHBondContact O-N 2.96Å; A160-S164 VanDerWaalsContact O-CB 3.27Å; A160-S164 WeakPolarHBondContact O-CB 3.47Å; A160-S164 PolarHBondContact O-N 3.48Å |
| 161 | L | 96.5 | Very high | 94.4 | Very high | 118 Ų | 118 | 90.8 Ų | 90.8 | 62% | 0.618 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -44.7 | 174.4 | -171.2 | 81.4 | 0 | 0 | 0 | 111 | Q157 L158 Q159 S164 A165 | Q157-L161 WeakPolarHBondContact O-CB 3.5Å; Q157-L161 PolarHBondContact O-N 3.46Å; L158-L161 PolarHBondContact O-N 3.26Å; Q159-L161 VanDerWaalsContact C-N 3.32Å; Q159-L161 PolarHBondContact O-N 3.3Å; L161-S164 PolarHBondContact O-N 3.13Å; L161-A165 VanDerWaalsContact O-CB 3.31Å; L161-A165 WeakPolarHBondContact O-CB 3.18Å; L161-A165 PolarHBondContact O-N 3.18Å |
| 162 | L | 97 | Very high | 94.1 | Very high | 87 Ų | 87 | 85.9 Ų | 85.9 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -49.3 | 175.9 | -77.4 | 167.8 | 0 | 0 | 0 | 111 | L158 Q159 S164 A165 F166 | L158-L162 WeakPolarHBondContact O-CB 3.32Å; L158-L162 VanDerWaalsContact O-CG 3.31Å; L158-L162 WeakPolarHBondContact O-CG 3.46Å; L158-L162 PolarHBondContact O-N 3.01Å; Q159-L162 WeakPolarHBondContact O-CB 3.49Å; Q159-L162 PolarHBondContact O-N 3.45Å; L162-S164 VanDerWaalsContact C-N 3.33Å; L162-S164 PolarHBondContact O-N 3.37Å; L162-A165 PolarHBondContact O-N 3.28Å; L162-F166 HydrophobicContact CB-CD2 4.44Å; L162-F166 HydrophobicContact CB-CE2 4.41Å; L162-F166 HydrophobicContact CD2-CE2 4.27Å; L162-F166 WeakPolarHBondContact O-CD2 3.48Å; L162-F166 PolarHBondContact O-N 2.89Å |
| 163 | D | 95.8 | Very high | 93.7 | Very high | 80 Ų | 80 | 85.4 Ų | 85.4 | 43% | 0.428 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.4 | -45 | 179.8 | -65.1 | -17.8 | 0 | 0 | 0 | 111 | Q159 F166 E167 | Q159-D163 PolarHBondContact NE2-OD1 3.46Å; Q159-D163 WeakPolarHBondContact O-CB 3.49Å; Q159-D163 PolarHBondContact O-N 2.89Å; D163-F166 PolarHBondContact O-N 2.99Å; D163-E167 WeakPolarHBondContact O-CB 3.46Å; D163-E167 WeakPolarHBondContact O-CG 3.47Å; D163-E167 PolarHBondContact O-N 2.89Å |
| 164 | S | 95.1 | Very high | 93.4 | Very high | 79 Ų | 79 | 87.4 Ų | 87.4 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | 176 | -178.5 | 0 | 0 | 0 | 0 | 112.8 | A160 L161 L162 E167 H168 | A160-S164 VanDerWaalsContact O-CB 3.27Å; A160-S164 WeakPolarHBondContact O-CB 3.47Å; A160-S164 PolarHBondContact O-N 3.48Å; L161-S164 PolarHBondContact O-N 3.13Å; L162-S164 VanDerWaalsContact C-N 3.33Å; L162-S164 PolarHBondContact O-N 3.37Å; S164-E167 PolarHBondContact O-N 3.35Å; S164-H168 WeakPolarHBondContact O-CB 3.48Å; S164-H168 PolarHBondContact O-N 2.87Å |
| 165 | A | 94.4 | Very high | 93 | Very high | 58 Ų | 58 | 89 Ų | 89 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L161 L162 H168 L169 | L161-A165 VanDerWaalsContact O-CB 3.31Å; L161-A165 WeakPolarHBondContact O-CB 3.18Å; L161-A165 PolarHBondContact O-N 3.18Å; L162-A165 PolarHBondContact O-N 3.28Å; A165-H168 PolarHBondContact O-N 3.03Å; A165-L169 WeakPolarHBondContact O-CB 3.38Å; A165-L169 PolarHBondContact O-N 3.43Å |
| 166 | F | 94.4 | Very high | 92.6 | Very high | 136 Ų | 136 | 88.5 Ų | 88.5 | 60% | 0.596 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.3 | -43 | 175.5 | -79.9 | -60.6 | 0 | 0 | 0 | 112 | L162 D163 L169 S170 | L162-F166 HydrophobicContact CB-CD2 4.44Å; L162-F166 HydrophobicContact CB-CE2 4.41Å; L162-F166 HydrophobicContact CD2-CE2 4.27Å; L162-F166 WeakPolarHBondContact O-CD2 3.48Å; L162-F166 PolarHBondContact O-N 2.89Å; D163-F166 PolarHBondContact O-N 2.99Å; F166-L169 PolarHBondContact O-N 3.47Å; F166-S170 WeakPolarHBondContact O-CB 3.47Å; F166-S170 PolarHBondContact O-N 3.41Å |
| 167 | E | 93.1 | Very high | 92.2 | Very high | 122 Ų | 122 | 88.9 Ų | 88.9 | 57% | 0.57 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.1 | -46 | 175.6 | -79.6 | -57.6 | 138.8 | 0 | 0 | 111.7 | D163 S164 L169 S170 T171 | D163-E167 WeakPolarHBondContact O-CB 3.46Å; D163-E167 WeakPolarHBondContact O-CG 3.47Å; D163-E167 PolarHBondContact O-N 2.89Å; S164-E167 PolarHBondContact O-N 3.35Å; E167-L169 PolarHBondContact O-N 2.92Å; E167-S170 PolarHBondContact O-N 3.47Å; E167-T171 WeakPolarHBondContact O-CB 3.36Å; E167-T171 WeakPolarHBondContact O-CG2 3.41Å; E167-T171 PolarHBondContact O-N 2.95Å; E167-T171 PolarHBondContact O-OG1 3.42Å |
| 168 | H | 93.2 | Very high | 91.8 | Very high | 115 Ų | 115 | 86.4 Ų | 86.4 | 53% | 0.532 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63 | -41.3 | 177.2 | -174.3 | -87.9 | 0 | 0 | 0 | 112 | S164 A165 S172 | S164-H168 WeakPolarHBondContact O-CB 3.48Å; S164-H168 PolarHBondContact O-N 2.87Å; A165-H168 PolarHBondContact O-N 3.03Å; H168-S172 PolarHBondContact CD2-OG 3.35Å; H168-S172 VanDerWaalsContact CD2-OG 3.27Å; H168-S172 PolarHBondContact NE2-OG 3.44Å; H168-S172 VanDerWaalsContact NE2-OG 3.13Å; H168-S172 WeakPolarHBondContact O-CA 3.49Å; H168-S172 VanDerWaalsContact O-CB 3.23Å; H168-S172 WeakPolarHBondContact O-CB 3.46Å; H168-S172 PolarHBondContact O-N 2.95Å |
| 169 | L | 92.3 | Very high | 91.3 | Very high | 83 Ų | 83 | 88.6 Ų | 88.6 | 44% | 0.435 | 48% | 0.482 | S | S | . | . | I | π-helix | trans | -62 | -46.1 | 175.3 | -179.4 | 65.3 | 0 | 0 | 0 | 111.3 | A165 F166 E167 V173 I174 | A165-L169 WeakPolarHBondContact O-CB 3.38Å; A165-L169 PolarHBondContact O-N 3.43Å; F166-L169 PolarHBondContact O-N 3.47Å; E167-L169 PolarHBondContact O-N 2.92Å; L169-V173 HydrophobicContact CD1-CB 4.07Å; L169-V173 HydrophobicContact CD1-CG1 4.37Å; L169-V173 HydrophobicContact CD1-CG2 4.14Å; L169-V173 WeakPolarHBondContact O-CB 3.26Å; L169-V173 PolarHBondContact O-N 3.38Å; L169-I174 HydrophobicContact CG-CD1 4.39Å; L169-I174 PolarHBondContact O-N 2.96Å |
| 170 | S | 92 | Very high | 91 | Very high | 49 Ų | 49 | 87.4 Ų | 87.4 | 34% | 0.343 | 48% | 0.482 | S | S | . | . | I | π-helix | trans | -63.5 | -47.8 | -179.9 | -169.4 | 0 | 0 | 0 | 0 | 112 | F166 E167 I174 Q175 | F166-S170 WeakPolarHBondContact O-CB 3.47Å; F166-S170 PolarHBondContact O-N 3.41Å; E167-S170 PolarHBondContact O-N 3.47Å; S170-I174 WeakPolarHBondContact O-CB 3.3Å; S170-Q175 WeakPolarHBondContact O-CG 3.44Å; S170-Q175 PolarHBondContact O-N 3.16Å |
| 171 | T | 88.7 | Confident | 90.5 | Very high | 56 Ų | 56 | 89.2 Ų | 89.2 | 34% | 0.344 | 48% | 0.483 | S | S | . | . | I | π-helix | trans | -84.5 | -53.6 | -172.5 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | E167 Q175 | E167-T171 WeakPolarHBondContact O-CB 3.36Å; E167-T171 WeakPolarHBondContact O-CG2 3.41Å; E167-T171 PolarHBondContact O-N 2.95Å; E167-T171 PolarHBondContact O-OG1 3.42Å; T171-Q175 WeakPolarHBondContact O-CB 3.41Å |
| 172 | S | 87.5 | Confident | 90 | Very high | 57 Ų | 57 | 87.6 Ų | 87.6 | 40% | 0.399 | 47% | 0.474 | S | S | . | . | I | π-helix | trans | -78.6 | -32.5 | -173.4 | -59.3 | 0 | 0 | 0 | 0 | 112.8 | H168 S176 | H168-S172 PolarHBondContact CD2-OG 3.35Å; H168-S172 VanDerWaalsContact CD2-OG 3.27Å; H168-S172 PolarHBondContact NE2-OG 3.44Å; H168-S172 VanDerWaalsContact NE2-OG 3.13Å; H168-S172 WeakPolarHBondContact O-CA 3.49Å; H168-S172 VanDerWaalsContact O-CB 3.23Å; H168-S172 WeakPolarHBondContact O-CB 3.46Å; H168-S172 PolarHBondContact O-N 2.95Å; S172-S176 WeakPolarHBondContact O-CB 3.46Å |
| 173 | V | 85.9 | Confident | 89.5 | Confident | 67 Ų | 67 | 87.6 Ų | 87.6 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | I | π-helix | trans | -99.6 | -65 | -175.8 | -173 | 0 | 0 | 0 | 0 | 110.1 | L169 S176 E177 | L169-V173 HydrophobicContact CD1-CB 4.07Å; L169-V173 HydrophobicContact CD1-CG1 4.37Å; L169-V173 HydrophobicContact CD1-CG2 4.14Å; L169-V173 WeakPolarHBondContact O-CB 3.26Å; L169-V173 PolarHBondContact O-N 3.38Å; V173-S176 PolarHBondContact O-N 2.93Å; V173-E177 WeakPolarHBondContact O-CB 3.25Å; V173-E177 WeakPolarHBondContact O-CG 3.45Å; V173-E177 PolarHBondContact O-N 3.29Å |
| 174 | I | 88.4 | Confident | 89.1 | Confident | 91 Ų | 91 | 87.5 Ų | 87.5 | 47% | 0.467 | 48% | 0.477 | S | S | . | . | I | π-helix | trans | -65.7 | -53.4 | -170.9 | -61.9 | 173.7 | 0 | 0 | 0 | 110.9 | L169 S170 S176 E177 V178 | L169-I174 HydrophobicContact CG-CD1 4.39Å; L169-I174 PolarHBondContact O-N 2.96Å; S170-I174 WeakPolarHBondContact O-CB 3.3Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.24Å; I174-E177 PolarHBondContact O-N 2.93Å; I174-V178 HydrophobicContact CG2-CG2 4.35Å; I174-V178 WeakPolarHBondContact O-CB 3.5Å; I174-V178 VanDerWaalsContact O-CG2 3.24Å; I174-V178 WeakPolarHBondContact O-CG2 3.37Å; I174-V178 PolarHBondContact O-N 3.44Å |
| 175 | Q | 87.2 | Confident | 88.4 | Confident | 116 Ų | 116 | 91 Ų | 91 | 54% | 0.542 | 48% | 0.483 | S | S | . | . | I | π-helix | trans | -64.3 | -37.8 | -179.5 | -73.5 | 176.4 | -0.7 | 0 | 0 | 112.6 | S170 T171 K179 | S170-Q175 WeakPolarHBondContact O-CG 3.44Å; S170-Q175 PolarHBondContact O-N 3.16Å; T171-Q175 WeakPolarHBondContact O-CB 3.41Å; Q175-K179 WeakPolarHBondContact O-CB 3.33Å; Q175-K179 PolarHBondContact O-N 3.42Å |
| 176 | S | 86.6 | Confident | 87.8 | Confident | 58 Ų | 58 | 95.6 Ų | 95.6 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 175.9 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | S172 V173 I174 K179 T180 | S172-S176 WeakPolarHBondContact O-CB 3.46Å; V173-S176 PolarHBondContact O-N 2.93Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.24Å; S176-K179 PolarHBondContact O-N 2.96Å; S176-T180 WeakPolarHBondContact O-CB 3.5Å; S176-T180 PolarHBondContact O-N 2.95Å; S176-T180 PolarHBondContact O-OG1 3.31Å |
| 177 | E | 86.1 | Confident | 87.2 | Confident | 110 Ų | 110 | 93.3 Ų | 93.3 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 178 | -80.6 | -64 | 168.4 | 0 | 0 | 111.7 | V173 I174 K179 T180 L181 | V173-E177 WeakPolarHBondContact O-CB 3.25Å; V173-E177 WeakPolarHBondContact O-CG 3.45Å; V173-E177 PolarHBondContact O-N 3.29Å; I174-E177 PolarHBondContact O-N 2.93Å; E177-K179 VanDerWaalsContact C-N 3.27Å; E177-K179 PolarHBondContact O-N 3.38Å; E177-T180 PolarHBondContact O-N 3.43Å; E177-L181 WeakPolarHBondContact O-CB 3.47Å; E177-L181 WeakPolarHBondContact O-CG 3.36Å; E177-L181 PolarHBondContact O-N 2.85Å |
| 178 | V | 86.3 | Confident | 86.5 | Confident | 78 Ų | 78 | 92.7 Ų | 92.7 | 47% | 0.473 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.5 | -46.3 | 174.4 | 169.3 | 0 | 0 | 0 | 0 | 110 | I174 T180 L181 L182 | I174-V178 HydrophobicContact CG2-CG2 4.35Å; I174-V178 WeakPolarHBondContact O-CB 3.5Å; I174-V178 VanDerWaalsContact O-CG2 3.24Å; I174-V178 WeakPolarHBondContact O-CG2 3.37Å; I174-V178 PolarHBondContact O-N 3.44Å; V178-T180 PolarHBondContact O-N 2.93Å; V178-L181 PolarHBondContact O-N 3.42Å; V178-L182 HydrophobicContact CG1-CD1 4.47Å; V178-L182 VanDerWaalsContact O-CB 3.28Å; V178-L182 WeakPolarHBondContact O-CB 3.23Å; V178-L182 PolarHBondContact O-N 2.89Å |
| 179 | K | 86.5 | Confident | 84.8 | Confident | 143 Ų | 143 | 96 Ų | 96 | 62% | 0.622 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65 | -40 | -179.7 | -167.1 | 172.7 | -172.6 | 176.5 | 0 | 112.3 | Q175 S176 E177 L182 N183 | Q175-K179 WeakPolarHBondContact O-CB 3.33Å; Q175-K179 PolarHBondContact O-N 3.42Å; S176-K179 PolarHBondContact O-N 2.96Å; E177-K179 VanDerWaalsContact C-N 3.27Å; E177-K179 PolarHBondContact O-N 3.38Å; K179-L182 PolarHBondContact O-N 2.93Å; K179-N183 WeakPolarHBondContact O-CB 3.43Å; K179-N183 PolarHBondContact O-N 2.87Å; K179-N183 PolarHBondContact O-ND2 3.2Å |
| 180 | T | 88.7 | Confident | 83.3 | Confident | 73 Ų | 73 | 103 Ų | 103 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.7 | -49.9 | 176.7 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | S176 E177 V178 L182 N183 V184 | S176-T180 WeakPolarHBondContact O-CB 3.5Å; S176-T180 PolarHBondContact O-N 2.95Å; S176-T180 PolarHBondContact O-OG1 3.31Å; E177-T180 PolarHBondContact O-N 3.43Å; V178-T180 PolarHBondContact O-N 2.93Å; T180-L182 VanDerWaalsContact C-N 3.33Å; T180-L182 PolarHBondContact O-N 3.27Å; T180-N183 WeakPolarHBondContact O-CB 3.37Å; T180-N183 PolarHBondContact O-N 3.41Å; T180-V184 WeakPolarHBondContact O-CG2 3.24Å; T180-V184 PolarHBondContact O-N 3.43Å |
| 181 | L | 85.6 | Confident | 81.3 | Confident | 97 Ų | 97 | 111.6 Ų | 111.6 | 51% | 0.508 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58 | -45.2 | 175.1 | -74.2 | 169.7 | 0 | 0 | 0 | 111.8 | E177 V178 N183 V184 F185 | E177-L181 WeakPolarHBondContact O-CB 3.47Å; E177-L181 WeakPolarHBondContact O-CG 3.36Å; E177-L181 PolarHBondContact O-N 2.85Å; V178-L181 PolarHBondContact O-N 3.42Å; L181-N183 VanDerWaalsContact C-N 3.27Å; L181-N183 PolarHBondContact O-N 2.9Å; L181-V184 PolarHBondContact O-N 3.03Å; L181-V184 VanDerWaalsContact O-N 3.15Å; L181-F185 VanDerWaalsContact O-CD2 3.25Å; L181-F185 WeakPolarHBondContact O-CD2 3.47Å; L181-F185 PolarHBondContact O-N 3.49Å |
| 182 | L | 85.1 | Confident | 80.9 | Confident | 84 Ų | 84 | 114.4 Ų | 114.4 | 44% | 0.44 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.8 | -36.8 | 179.3 | -138.3 | 151.9 | 0 | 0 | 0 | 111.7 | V178 K179 T180 K186 | V178-L182 HydrophobicContact CG1-CD1 4.47Å; V178-L182 VanDerWaalsContact O-CB 3.28Å; V178-L182 WeakPolarHBondContact O-CB 3.23Å; V178-L182 PolarHBondContact O-N 2.89Å; K179-L182 PolarHBondContact O-N 2.93Å; T180-L182 VanDerWaalsContact C-N 3.33Å; T180-L182 PolarHBondContact O-N 3.27Å; L182-K186 HydrophobicContact CD2-CD 4.03Å; L182-K186 VanDerWaalsContact CD2-CE 3.42Å; L182-K186 HydrophobicContact CD2-CG 4.43Å; L182-K186 WeakPolarHBondContact O-CB 3.47Å; L182-K186 VanDerWaalsContact O-CG 3.32Å; L182-K186 WeakPolarHBondContact O-CG 3.27Å; L182-K186 PolarHBondContact O-N 3.46Å |
| 183 | N | 86 | Confident | 80.6 | Confident | 88 Ų | 88 | 117.4 Ų | 117.4 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.9 | -41.7 | 174.3 | -72.6 | -18.1 | 0 | 0 | 0 | 112 | K179 T180 L181 K186 S187 | K179-N183 WeakPolarHBondContact O-CB 3.43Å; K179-N183 PolarHBondContact O-N 2.87Å; K179-N183 PolarHBondContact O-ND2 3.2Å; T180-N183 WeakPolarHBondContact O-CB 3.37Å; T180-N183 PolarHBondContact O-N 3.41Å; L181-N183 VanDerWaalsContact C-N 3.27Å; L181-N183 PolarHBondContact O-N 2.9Å; N183-K186 PolarHBondContact O-N 2.95Å; N183-S187 WeakPolarHBondContact O-CB 3.34Å; N183-S187 PolarHBondContact O-N 3.28Å; N183-S187 PolarHBondContact O-OG 2.9Å |
| 184 | V | 87.3 | Confident | 80.3 | Confident | 77 Ų | 77 | 120.2 Ų | 120.2 | 47% | 0.467 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.9 | -49.5 | 174.8 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | T180 L181 K186 S187 L188 | T180-V184 WeakPolarHBondContact O-CG2 3.24Å; T180-V184 PolarHBondContact O-N 3.43Å; L181-V184 PolarHBondContact O-N 3.03Å; L181-V184 VanDerWaalsContact O-N 3.15Å; V184-K186 VanDerWaalsContact C-N 3.28Å; V184-K186 PolarHBondContact O-N 3.39Å; V184-S187 WeakPolarHBondContact CA-OG 3.27Å; V184-S187 PolarHBondContact O-N 3.5Å; V184-S187 PolarHBondContact O-OG 3.49Å; V184-L188 PolarHBondContact O-N 3.14Å |
| 185 | F | 81.9 | Confident | 79.8 | Confident | 154 Ų | 154 | 121.9 Ų | 121.9 | 68% | 0.675 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -57.7 | -38.6 | 176.3 | -84.9 | -69 | 0 | 0 | 0 | 113 | L181 | L181-F185 VanDerWaalsContact O-CD2 3.25Å; L181-F185 WeakPolarHBondContact O-CD2 3.47Å; L181-F185 PolarHBondContact O-N 3.49Å |
| 186 | K | 81.8 | Confident | 79.3 | Confident | 153 Ų | 153 | 122.3 Ų | 122.3 | 67% | 0.665 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.2 | -30.4 | 175.8 | -77.2 | 173.7 | 173.8 | 175.2 | 0 | 113.6 | L182 N183 V184 | L182-K186 HydrophobicContact CD2-CD 4.03Å; L182-K186 VanDerWaalsContact CD2-CE 3.42Å; L182-K186 HydrophobicContact CD2-CG 4.43Å; L182-K186 WeakPolarHBondContact O-CB 3.47Å; L182-K186 VanDerWaalsContact O-CG 3.32Å; L182-K186 WeakPolarHBondContact O-CG 3.27Å; L182-K186 PolarHBondContact O-N 3.46Å; N183-K186 PolarHBondContact O-N 2.95Å; V184-K186 VanDerWaalsContact C-N 3.28Å; V184-K186 PolarHBondContact O-N 3.39Å |
| 187 | S | 81.4 | Confident | 78.9 | Confident | 89 Ų | 89 | 126.6 Ų | 126.6 | 62% | 0.622 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -78.8 | -21.3 | -178.5 | 69.8 | 0 | 0 | 0 | 0 | 113.6 | N183 V184 K189 | N183-S187 WeakPolarHBondContact O-CB 3.34Å; N183-S187 PolarHBondContact O-N 3.28Å; N183-S187 PolarHBondContact O-OG 2.9Å; V184-S187 WeakPolarHBondContact CA-OG 3.27Å; V184-S187 PolarHBondContact O-N 3.5Å; V184-S187 PolarHBondContact O-OG 3.49Å; S187-K189 PolarHBondContact O-N 3.42Å |
| 188 | L | 78.9 | Confident | 78.4 | Confident | 109 Ų | 109 | 127.8 Ų | 127.8 | 57% | 0.571 | 64% | 0.635 | S | S | * | * | trans | -69.8 | 86 | 167.2 | -69.5 | 164.2 | 0 | 0 | 0 | 107.8 | V184 Y190 | V184-L188 PolarHBondContact O-N 3.14Å; L188-Y190 PolarHBondContact O-N 2.9Å | ||
| 189 | K | 57.3 | Low | 77.7 | Confident | 184 Ų | 184 | 131.6 Ų | 131.6 | 80% | 0.8 | 65% | 0.648 | S | S | * | * | trans | -57.8 | 126 | 158.7 | -88.3 | -172.6 | 173.4 | -177.4 | 0 | 106.8 | S187 D191 | S187-K189 PolarHBondContact O-N 3.42Å; K189-D191 PolarHBondContact O-N 3.27Å; K189-D191 VanDerWaalsContact O-N 3.13Å | ||
| 190 | Y | 60.4 | Low | 77 | Confident | 229 Ų | 229 | 130.7 Ų | 130.7 | 90% | 0.898 | 65% | 0.65 | S | S | * | * | trans | -62.2 | 109.4 | 159.3 | -86 | -99.7 | 0 | 0 | 0 | 106.3 | L188 | L188-Y190 PolarHBondContact O-N 2.9Š| ||
| 191 | D | 49.7 | Very low | 75.9 | Confident | 231 Ų | 231 | 135.9 Ų | 135.9 | 100% | 1.235 | 67% | 0.668 | S | S | * | * | trans | -55.6 | 0 | 163.4 | -74.6 | -31.8 | 0 | 0 | 0 | 110.9 | K189 | K189-D191 PolarHBondContact O-N 3.27Å; K189-D191 VanDerWaalsContact O-N 3.13Å |
Retrieved 191 of 191 residues in 139.8 ms
(Link to these results)