| 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 | 43.3 | Very low | 49 | Very low | 239 Ų | 239 | 132.3 Ų | 132.3 | 100% | 1.177 | 81% | 0.805 | S | S | * | * | 0 | 121.8 | 0 | -64.9 | 174.9 | 91.6 | 0 | 0 | 107.9 | |||||
| 2 | S | 45.8 | Very low | 48.8 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | 46.6 | 97 | 158.6 | -50.1 | 0 | 0 | 0 | 0 | 119.3 | S4 | S2-S4 PolarHBondContact O-N 2.77Š| ||
| 3 | S | 49.3 | Very low | 49 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -44 | 116.8 | 147.4 | 45 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 4 | S | 49.8 | Very low | 49 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | trans | -112.9 | 82.1 | 156.9 | -66 | 0 | 0 | 0 | 0 | 107.4 | S2 L6 | S2-S4 PolarHBondContact O-N 2.77Å; S4-L6 VanDerWaalsContact C-N 3.26Å; S4-L6 PolarHBondContact O-N 2.94Å | ||
| 5 | S | 55.8 | Low | 49.6 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -62.5 | 92.3 | 161 | 50.5 | 0 | 0 | 0 | 0 | 107.5 | S7 | S5-S7 PolarHBondContact O-N 3.12Š| ||
| 6 | L | 53.2 | Low | 49.8 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -68.8 | 86.2 | 159.9 | -85.7 | 89.1 | 0 | 0 | 0 | 106.7 | S4 | S4-L6 VanDerWaalsContact C-N 3.26Å; S4-L6 PolarHBondContact O-N 2.94Å | ||
| 7 | S | 52.3 | Low | 50.2 | Low | 94 Ų | 94 | 120.9 Ų | 120.9 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | trans | -55.4 | 131.4 | 159.9 | -65.8 | 0 | 0 | 0 | 0 | 107.5 | S5 A9 | S5-S7 PolarHBondContact O-N 3.12Å; S7-A9 PolarHBondContact O-N 2.7Å | ||
| 8 | P | 52.7 | Low | 50.9 | Low | 131 Ų | 131 | 119.8 Ų | 119.8 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | trans | -64.5 | 100.3 | 179.6 | 24.6 | -30.7 | 0 | 0 | 0 | 108.3 | G10 | P8-G10 PolarHBondContact O-N 2.79Å; P8-G10 VanDerWaalsContact O-N 3.16Å | ||
| 9 | A | 49.7 | Very low | 52.6 | Low | 100 Ų | 100 | 117.2 Ų | 117.2 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | trans | -56.6 | 120.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | S7 | S7-A9 PolarHBondContact O-N 2.7Š| ||
| 10 | G | 41.9 | Very low | 54.3 | Low | 58 Ų | 58 | 115.4 Ų | 115.4 | 60% | 0.598 | 74% | 0.739 | S | S | * | * | trans | 55.3 | 87.3 | 153.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P8 T12 | P8-G10 PolarHBondContact O-N 2.79Å; P8-G10 VanDerWaalsContact O-N 3.16Å; G10-T12 PolarHBondContact O-N 3.32Å | ||
| 11 | R | 45.2 | Very low | 56.1 | Low | 247 Ų | 247 | 113.3 Ų | 113.3 | 93% | 0.932 | 73% | 0.733 | S | S | * | * | trans | -65.1 | 75.9 | 139.3 | -65 | 174.6 | 66.4 | -128.2 | 0.8 | 106.7 | S13 | R11-S13 PolarHBondContact O-N 3.25Š| ||
| 12 | T | 46.4 | Very low | 58.4 | Low | 128 Ų | 128 | 105 Ų | 105 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | trans | -61.7 | 112.2 | 159.2 | 47.7 | 0 | 0 | 0 | 0 | 104.4 | G10 G14 | G10-T12 PolarHBondContact O-N 3.32Å; T12-G14 PolarHBondContact O-N 2.92Å | ||
| 13 | S | 52.3 | Low | 60.6 | Low | 118 Ų | 118 | 101.9 Ų | 101.9 | 83% | 0.825 | 67% | 0.669 | S | S | * | * | trans | -64.2 | 76.5 | 164.2 | -178.3 | 0 | 0 | 0 | 0 | 106.2 | R11 S15 | R11-S13 PolarHBondContact O-N 3.25Å; S13-S15 PolarHBondContact O-N 3.04Å | ||
| 14 | G | 48.9 | Very low | 62.8 | Low | 69 Ų | 69 | 104 Ų | 104 | 71% | 0.711 | 66% | 0.659 | S | S | * | * | trans | -67.1 | 75.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | T12 | T12-G14 PolarHBondContact O-N 2.92Š| ||
| 15 | S | 57.8 | Low | 64.9 | Low | 84 Ų | 84 | 106.4 Ų | 106.4 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | trans | -50.6 | 144.9 | 144.5 | -168.3 | 0 | 0 | 0 | 0 | 106.7 | S13 | S13-S15 PolarHBondContact O-N 3.04Š| ||
| 16 | D | 52.1 | Low | 66.8 | Low | 154 Ų | 154 | 108.4 Ų | 108.4 | 82% | 0.824 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 89.4 | 83.5 | 167.4 | -40.6 | -24.9 | 0 | 0 | 0 | 113.8 | ||
| 17 | G | 56.6 | Low | 68.7 | Low | 48 Ų | 48 | 105.9 Ų | 105.9 | 50% | 0.495 | 63% | 0.629 | S | S | . | * | trans | 150.7 | 19.3 | 162 | 0 | 0 | 0 | 0 | 0 | 116.7 | S19 | G17-S19 PolarHBondContact O-N 3.17Š| ||
| 18 | D | 64.2 | Low | 70.8 | Confident | 100 Ų | 100 | 107.6 Ų | 107.6 | 54% | 0.535 | 63% | 0.625 | S | S | . | * | trans | -69.7 | 67.2 | 163.7 | -137.6 | 26.5 | 0 | 0 | 0 | 108.1 | T23 R26 | D18-T23 HydrophobicContact CB-CG2 4.26Å; D18-T23 VanDerWaalsContact OD2-CG2 3.24Å; D18-T23 WeakPolarHBondContact OD2-CG2 3.41Å; D18-R26 IonicContact OD1-CZ 3.86Å; D18-R26 VanDerWaalsContact OD1-CZ 3.31Å; D18-R26 IonicContact OD1-NE 3.59Å; D18-R26 IonicContact OD1-NH1 3.31Å; D18-R26 PolarHBondContact OD1-NH1 2.9Å; D18-R26 IonicContact OD1-NH2 3.4Å | ||
| 19 | S | 81.9 | Confident | 72.9 | Confident | 71 Ų | 71 | 108.9 Ų | 108.9 | 50% | 0.497 | 61% | 0.613 | S | S | . | * | trans | -59.2 | 146.2 | 172.9 | -64 | 0 | 0 | 0 | 0 | 107.1 | G17 A21 D22 T23 | G17-S19 PolarHBondContact O-N 3.17Å; S19-A21 PolarHBondContact O-N 2.99Å; S19-D22 WeakPolarHBondContact O-CA 3.43Å; S19-D22 WeakPolarHBondContact O-CB 3.44Å; S19-D22 PolarHBondContact O-N 2.92Å; S19-T23 PolarHBondContact O-N 2.89Å; S19-T23 VanDerWaalsContact O-N 3.12Å | ||
| 20 | A | 87.6 | Confident | 75.2 | Confident | 81 Ų | 81 | 112.5 Ų | 112.5 | 67% | 0.669 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -52.5 | -25.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T23 R24 | A20-T23 WeakPolarHBondContact CA-OG1 3.42Å; A20-T23 PolarHBondContact O-OG1 3.15Å; A20-R24 WeakPolarHBondContact O-CB 3.49Å; A20-R24 PolarHBondContact O-N 3.02Å; A20-R24 VanDerWaalsContact O-N 3.17Å |
| 21 | A | 90.8 | Very high | 77.8 | Confident | 72 Ų | 72 | 114.7 Ų | 114.7 | 60% | 0.595 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.5 | -40.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S19 R25 | S19-A21 PolarHBondContact O-N 2.99Å; A21-R25 WeakPolarHBondContact O-CB 3.28Å; A21-R25 PolarHBondContact O-N 3.16Å |
| 22 | D | 92.3 | Very high | 80.3 | Confident | 63 Ų | 63 | 106.4 Ų | 106.4 | 34% | 0.337 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.7 | -44 | -178.3 | -120.2 | 42.2 | 0 | 0 | 0 | 111.2 | S19 R25 R26 | S19-D22 WeakPolarHBondContact O-CA 3.43Å; S19-D22 WeakPolarHBondContact O-CB 3.44Å; S19-D22 PolarHBondContact O-N 2.92Å; D22-R25 PolarHBondContact O-N 3.4Å; D22-R26 VanDerWaalsContact O-CG 3.28Å; D22-R26 WeakPolarHBondContact O-CG 3.38Å; D22-R26 PolarHBondContact O-N 3.28Å; D22-R26 IonicContact OD2-NH2 3.74Å |
| 23 | T | 93 | Very high | 82.8 | Confident | 45 Ų | 45 | 105.5 Ų | 105.5 | 28% | 0.276 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.2 | -48.6 | 171.8 | 57.1 | 0 | 0 | 0 | 0 | 111 | D18 S19 A20 R25 R26 E27 | D18-T23 HydrophobicContact CB-CG2 4.26Å; D18-T23 VanDerWaalsContact OD2-CG2 3.24Å; D18-T23 WeakPolarHBondContact OD2-CG2 3.41Å; S19-T23 PolarHBondContact O-N 2.89Å; S19-T23 VanDerWaalsContact O-N 3.12Å; A20-T23 WeakPolarHBondContact CA-OG1 3.42Å; A20-T23 PolarHBondContact O-OG1 3.15Å; T23-R25 VanDerWaalsContact C-N 3.31Å; T23-R25 PolarHBondContact O-N 3.01Å; T23-R26 WeakPolarHBondContact O-CB 3.34Å; T23-R26 PolarHBondContact O-N 3.06Å; T23-R26 VanDerWaalsContact O-N 3.15Å; T23-E27 WeakPolarHBondContact O-CG 3.22Å; T23-E27 PolarHBondContact O-N 2.76Å |
| 24 | R | 93.7 | Very high | 85 | Confident | 160 Ų | 160 | 108.9 Ų | 108.9 | 60% | 0.604 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.6 | -38.4 | 176.2 | -171.9 | 177.3 | -172.7 | -172.5 | 2.7 | 112.7 | A20 K28 | A20-R24 WeakPolarHBondContact O-CB 3.49Å; A20-R24 PolarHBondContact O-N 3.02Å; A20-R24 VanDerWaalsContact O-N 3.17Å; R24-K28 WeakPolarHBondContact O-CG 3.24Å; R24-K28 PolarHBondContact O-N 2.85Å |
| 25 | R | 95.2 | Very high | 87.3 | Confident | 152 Ų | 152 | 109.1 Ų | 109.1 | 57% | 0.574 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67 | -42.8 | 175.8 | -176.6 | 177.4 | 178.1 | -118.5 | 2.9 | 111.5 | A21 D22 T23 K28 R29 | A21-R25 WeakPolarHBondContact O-CB 3.28Å; A21-R25 PolarHBondContact O-N 3.16Å; D22-R25 PolarHBondContact O-N 3.4Å; T23-R25 VanDerWaalsContact C-N 3.31Å; T23-R25 PolarHBondContact O-N 3.01Å; R25-K28 PolarHBondContact O-N 3.17Å; R25-R29 WeakPolarHBondContact O-CG 3.34Å; R25-R29 PolarHBondContact O-N 2.87Å |
| 26 | R | 94.3 | Very high | 89.3 | Confident | 143 Ų | 143 | 107.3 Ų | 107.3 | 54% | 0.54 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 175.8 | -70 | 169.8 | -170.9 | -169.3 | 3.3 | 111.3 | D18 D22 T23 R29 R30 | D18-R26 IonicContact OD1-CZ 3.86Å; D18-R26 VanDerWaalsContact OD1-CZ 3.31Å; D18-R26 IonicContact OD1-NE 3.59Å; D18-R26 IonicContact OD1-NH1 3.31Å; D18-R26 PolarHBondContact OD1-NH1 2.9Å; D18-R26 IonicContact OD1-NH2 3.4Å; D22-R26 VanDerWaalsContact O-CG 3.28Å; D22-R26 WeakPolarHBondContact O-CG 3.38Å; D22-R26 PolarHBondContact O-N 3.28Å; D22-R26 IonicContact OD2-NH2 3.74Å; T23-R26 WeakPolarHBondContact O-CB 3.34Å; T23-R26 PolarHBondContact O-N 3.06Å; T23-R26 VanDerWaalsContact O-N 3.15Å; R26-R29 PolarHBondContact O-N 2.96Å; R26-R30 WeakPolarHBondContact O-CB 3.38Å; R26-R30 PolarHBondContact O-N 3.45Å |
| 27 | E | 94.8 | Very high | 91.5 | Very high | 106 Ų | 106 | 101.7 Ų | 101.7 | 50% | 0.495 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -47.1 | 175.7 | -73.3 | 178.7 | 170.7 | 0 | 0 | 112.5 | T23 R29 R30 L31 | T23-E27 WeakPolarHBondContact O-CG 3.22Å; T23-E27 PolarHBondContact O-N 2.76Å; E27-R29 VanDerWaalsContact C-N 3.32Å; E27-R29 PolarHBondContact O-N 3.32Å; E27-R30 WeakPolarHBondContact O-CB 3.46Å; E27-R30 PolarHBondContact O-N 3.44Å; E27-L31 WeakPolarHBondContact O-CG 3.49Å; E27-L31 PolarHBondContact O-N 2.97Å |
| 28 | K | 96.5 | Very high | 93.5 | Very high | 130 Ų | 130 | 107.2 Ų | 107.2 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.5 | -43.8 | 174.4 | -75.5 | 178.7 | 179.3 | -174.8 | 0 | 111.9 | R24 R25 L31 S32 | R24-K28 WeakPolarHBondContact O-CG 3.24Å; R24-K28 PolarHBondContact O-N 2.85Å; R25-K28 PolarHBondContact O-N 3.17Å; K28-L31 PolarHBondContact O-N 2.87Å; K28-S32 WeakPolarHBondContact O-CB 3.33Å; K28-S32 PolarHBondContact O-N 2.84Å |
| 29 | R | 96.3 | Very high | 95.1 | Very high | 158 Ų | 158 | 108.8 Ų | 108.8 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.2 | -40.5 | 176.3 | -73.5 | 176.6 | 69.1 | -170.9 | 1.7 | 112 | R25 R26 E27 S32 N33 | R25-R29 WeakPolarHBondContact O-CG 3.34Å; R25-R29 PolarHBondContact O-N 2.87Å; R26-R29 PolarHBondContact O-N 2.96Å; E27-R29 VanDerWaalsContact C-N 3.32Å; E27-R29 PolarHBondContact O-N 3.32Å; R29-S32 PolarHBondContact O-N 3.16Å; R29-N33 WeakPolarHBondContact O-CB 3.33Å; R29-N33 PolarHBondContact O-N 3.5Å |
| 30 | R | 97.2 | Very high | 95.9 | Very high | 176 Ų | 176 | 108.5 Ų | 108.5 | 66% | 0.664 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.3 | -46.5 | 176.6 | -172.2 | -177.1 | 71.4 | 177.4 | -0.2 | 111.4 | R26 E27 N33 R34 | R26-R30 WeakPolarHBondContact O-CB 3.38Å; R26-R30 PolarHBondContact O-N 3.45Å; E27-R30 WeakPolarHBondContact O-CB 3.46Å; E27-R30 PolarHBondContact O-N 3.44Å; R30-N33 PolarHBondContact O-N 2.95Å; R30-R34 WeakPolarHBondContact O-CB 3.48Å; R30-R34 PolarHBondContact O-N 2.98Å |
| 31 | L | 97.4 | Very high | 96.4 | Very high | 104 Ų | 104 | 113.9 Ų | 113.9 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 177.1 | -67.3 | 175.4 | 0 | 0 | 0 | 111.7 | E27 K28 N33 R34 E35 | E27-L31 WeakPolarHBondContact O-CG 3.49Å; E27-L31 PolarHBondContact O-N 2.97Å; K28-L31 PolarHBondContact O-N 2.87Å; L31-N33 PolarHBondContact O-N 2.85Å; L31-R34 WeakPolarHBondContact O-CB 3.47Å; L31-R34 PolarHBondContact O-N 2.82Å; L31-E35 PolarHBondContact O-N 3.39Å |
| 32 | S | 98 | Very high | 96.8 | Very high | 73 Ų | 73 | 114.9 Ų | 114.9 | 51% | 0.51 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 176.6 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | K28 R29 E35 S36 | K28-S32 WeakPolarHBondContact O-CB 3.33Å; K28-S32 PolarHBondContact O-N 2.84Å; R29-S32 PolarHBondContact O-N 3.16Å; S32-E35 PolarHBondContact O-N 3.44Å; S32-S36 WeakPolarHBondContact O-CB 3.49Å; S32-S36 PolarHBondContact O-N 2.95Å; S32-S36 PolarHBondContact O-OG 3.45Å |
| 33 | N | 98.3 | Very high | 97.1 | Very high | 109 Ų | 109 | 119.8 Ų | 119.8 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.7 | -40.9 | 178.1 | -176.1 | -85 | 0 | 0 | 0 | 111.3 | R29 R30 L31 E35 S36 A37 | R29-N33 WeakPolarHBondContact O-CB 3.33Å; R29-N33 PolarHBondContact O-N 3.5Å; R30-N33 PolarHBondContact O-N 2.95Å; L31-N33 PolarHBondContact O-N 2.85Å; N33-E35 VanDerWaalsContact C-N 3.31Å; N33-E35 PolarHBondContact O-N 2.92Å; N33-S36 WeakPolarHBondContact CA-OG 3.36Å; N33-S36 PolarHBondContact O-N 3.38Å; N33-S36 PolarHBondContact O-OG 2.94Å; N33-A37 WeakPolarHBondContact O-CB 3.48Å; N33-A37 PolarHBondContact O-N 3.36Å |
| 34 | R | 98.2 | Very high | 97.3 | Very high | 188 Ų | 188 | 124.5 Ų | 124.5 | 71% | 0.709 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -57.5 | -46.6 | 173 | -177.3 | 177.3 | 179.8 | 170 | 0.4 | 110.9 | R30 L31 A37 R38 | R30-R34 WeakPolarHBondContact O-CB 3.48Å; R30-R34 PolarHBondContact O-N 2.98Å; L31-R34 WeakPolarHBondContact O-CB 3.47Å; L31-R34 PolarHBondContact O-N 2.82Å; R34-A37 PolarHBondContact O-N 3.3Å; R34-R38 WeakPolarHBondContact O-CB 3.21Å; R34-R38 PolarHBondContact O-N 3.45Å |
| 35 | E | 98.2 | Very high | 97.6 | Very high | 74 Ų | 74 | 121.5 Ų | 121.5 | 35% | 0.346 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70 | -40.1 | 179.4 | -170.6 | 54.6 | -144.5 | 0 | 0 | 112.4 | L31 S32 N33 R38 R39 | L31-E35 PolarHBondContact O-N 3.39Å; S32-E35 PolarHBondContact O-N 3.44Å; N33-E35 VanDerWaalsContact C-N 3.31Å; N33-E35 PolarHBondContact O-N 2.92Å; E35-R38 PolarHBondContact O-N 3.47Å; E35-R38 IonicContact OE1-NH1 3.5Å; E35-R39 WeakPolarHBondContact O-CB 3.44Å; E35-R39 WeakPolarHBondContact O-CG 3.2Å; E35-R39 PolarHBondContact O-N 3.35Å |
| 36 | S | 98.3 | Very high | 97.7 | Very high | 47 Ų | 47 | 118.7 Ų | 118.7 | 33% | 0.329 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 174.8 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | S32 N33 R39 S40 | S32-S36 WeakPolarHBondContact O-CB 3.49Å; S32-S36 PolarHBondContact O-N 2.95Å; S32-S36 PolarHBondContact O-OG 3.45Å; N33-S36 WeakPolarHBondContact CA-OG 3.36Å; N33-S36 PolarHBondContact O-N 3.38Å; N33-S36 PolarHBondContact O-OG 2.94Å; S36-R39 PolarHBondContact O-N 2.8Å; S36-S40 VanDerWaalsContact O-CB 3.3Å; S36-S40 WeakPolarHBondContact O-CB 3.42Å; S36-S40 PolarHBondContact O-N 2.91Å |
| 37 | A | 98.2 | Very high | 97.9 | Very high | 35 Ų | 35 | 116.9 Ų | 116.9 | 29% | 0.289 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | N33 R34 S40 R41 | N33-A37 WeakPolarHBondContact O-CB 3.48Å; N33-A37 PolarHBondContact O-N 3.36Å; R34-A37 PolarHBondContact O-N 3.3Å; A37-S40 PolarHBondContact O-N 2.98Å; A37-R41 WeakPolarHBondContact O-CB 3.48Å; A37-R41 VanDerWaalsContact O-CG 3.3Å; A37-R41 WeakPolarHBondContact O-CG 3.49Å; A37-R41 PolarHBondContact O-N 3.26Å |
| 38 | R | 98.3 | Very high | 98.1 | Very high | 164 Ų | 164 | 116 Ų | 116 | 62% | 0.619 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.1 | -50.8 | 173.7 | -177.7 | 179.6 | 174.9 | -118.3 | -0.1 | 111.4 | R34 E35 S40 R41 L42 | R34-R38 WeakPolarHBondContact O-CB 3.21Å; R34-R38 PolarHBondContact O-N 3.45Å; E35-R38 PolarHBondContact O-N 3.47Å; E35-R38 IonicContact OE1-NH1 3.5Å; R38-S40 VanDerWaalsContact C-N 3.33Å; R38-S40 PolarHBondContact O-N 3.47Å; R38-R41 PolarHBondContact O-N 2.85Å; R38-L42 PolarHBondContact O-N 3.42Å |
| 39 | R | 98.5 | Very high | 98.2 | Very high | 134 Ų | 134 | 113.2 Ų | 113.2 | 51% | 0.506 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -40.2 | 176.9 | -72.2 | -176.9 | -67.4 | 179.4 | -0.8 | 112.5 | E35 S36 L42 R43 | E35-R39 WeakPolarHBondContact O-CB 3.44Å; E35-R39 WeakPolarHBondContact O-CG 3.2Å; E35-R39 PolarHBondContact O-N 3.35Å; S36-R39 PolarHBondContact O-N 2.8Å; R39-L42 PolarHBondContact O-N 3.34Å; R39-R43 WeakPolarHBondContact O-CG 3.3Å; R39-R43 PolarHBondContact O-N 3.42Å |
| 40 | S | 98.6 | Very high | 98.3 | Very high | 64 Ų | 64 | 111.1 Ų | 111.1 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 176.7 | -165.6 | 0 | 0 | 0 | 0 | 112.1 | S36 A37 R38 K44 | S36-S40 VanDerWaalsContact O-CB 3.3Å; S36-S40 WeakPolarHBondContact O-CB 3.42Å; S36-S40 PolarHBondContact O-N 2.91Å; A37-S40 PolarHBondContact O-N 2.98Å; R38-S40 VanDerWaalsContact C-N 3.33Å; R38-S40 PolarHBondContact O-N 3.47Å; S40-K44 WeakPolarHBondContact O-CB 3.32Å; S40-K44 PolarHBondContact O-N 2.88Å |
| 41 | R | 98.5 | Very high | 98.4 | Very high | 195 Ų | 195 | 106.5 Ų | 106.5 | 74% | 0.736 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -43.1 | 175.4 | -72.4 | 173.7 | -173.7 | -178 | 1.1 | 111.3 | A37 R38 K44 Q45 | A37-R41 WeakPolarHBondContact O-CB 3.48Å; A37-R41 VanDerWaalsContact O-CG 3.3Å; A37-R41 WeakPolarHBondContact O-CG 3.49Å; A37-R41 PolarHBondContact O-N 3.26Å; R38-R41 PolarHBondContact O-N 2.85Å; R41-K44 PolarHBondContact O-N 3.16Å; R41-Q45 WeakPolarHBondContact O-CB 3.49Å; R41-Q45 PolarHBondContact O-N 3.39Å |
| 42 | L | 98.5 | Very high | 98.4 | Very high | 93 Ų | 93 | 104.5 Ų | 104.5 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -48 | 178.2 | -176.6 | 62.4 | 0 | 0 | 0 | 112 | R38 R39 K44 Q45 Q46 | R38-L42 PolarHBondContact O-N 3.42Å; R39-L42 PolarHBondContact O-N 3.34Å; L42-K44 VanDerWaalsContact C-N 3.31Å; L42-K44 PolarHBondContact O-N 3.07Å; L42-Q45 WeakPolarHBondContact O-CB 3.3Å; L42-Q45 PolarHBondContact O-N 3.47Å; L42-Q45 VanDerWaalsContact O-N 3.16Å; L42-Q46 HydrophobicContact CD1-CG 4.5Å; L42-Q46 WeakPolarHBondContact O-CG 3.49Å; L42-Q46 PolarHBondContact O-N 3.05Å |
| 43 | R | 98.5 | Very high | 98.5 | Very high | 166 Ų | 166 | 107 Ų | 107 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.9 | -41 | 176.3 | -72.9 | -174.4 | -65.4 | -166.1 | 3.9 | 112.4 | R39 Q46 H47 | R39-R43 WeakPolarHBondContact O-CG 3.3Å; R39-R43 PolarHBondContact O-N 3.42Å; R43-Q46 PolarHBondContact O-N 2.91Å; R43-H47 PolarHBondContact O-N 3.38Å |
| 44 | K | 98.5 | Very high | 98.5 | Very high | 144 Ų | 144 | 107 Ų | 107 | 63% | 0.626 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.3 | -40.4 | 176 | -171.7 | 173.3 | -178.1 | 176.6 | 0 | 111.6 | S40 R41 L42 H47 L48 | S40-K44 WeakPolarHBondContact O-CB 3.32Å; S40-K44 PolarHBondContact O-N 2.88Å; R41-K44 PolarHBondContact O-N 3.16Å; L42-K44 VanDerWaalsContact C-N 3.31Å; L42-K44 PolarHBondContact O-N 3.07Å; K44-H47 PolarHBondContact O-N 3.19Å; K44-L48 HydrophobicContact CG-CD1 4.42Å; K44-L48 VanDerWaalsContact O-CG 3.3Å; K44-L48 WeakPolarHBondContact O-CG 3.35Å; K44-L48 PolarHBondContact O-N 3.07Å; K44-L48 VanDerWaalsContact O-N 3.07Å |
| 45 | Q | 98.5 | Very high | 98.5 | Very high | 97 Ų | 97 | 100.2 Ų | 100.2 | 45% | 0.453 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 175.6 | -173.7 | 62.1 | 53.9 | 0 | 0 | 111.2 | R41 L42 H47 L48 D49 | R41-Q45 WeakPolarHBondContact O-CB 3.49Å; R41-Q45 PolarHBondContact O-N 3.39Å; L42-Q45 WeakPolarHBondContact O-CB 3.3Å; L42-Q45 PolarHBondContact O-N 3.47Å; L42-Q45 VanDerWaalsContact O-N 3.16Å; Q45-H47 VanDerWaalsContact C-N 3.32Å; Q45-H47 PolarHBondContact O-N 3.42Å; Q45-L48 WeakPolarHBondContact O-CB 3.31Å; Q45-L48 PolarHBondContact O-N 2.85Å; Q45-L48 VanDerWaalsContact O-N 3.1Å; Q45-D49 PolarHBondContact NE2-OD1 2.92Å; Q45-D49 PolarHBondContact O-N 3.02Å |
| 46 | Q | 98.6 | Very high | 98.5 | Very high | 93 Ų | 93 | 99.2 Ų | 99.2 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -55.8 | -46.2 | 177 | -72.8 | 171.9 | -36.7 | 0 | 0 | 111.9 | L42 R43 L48 D49 E50 | L42-Q46 HydrophobicContact CD1-CG 4.5Å; L42-Q46 WeakPolarHBondContact O-CG 3.49Å; L42-Q46 PolarHBondContact O-N 3.05Å; R43-Q46 PolarHBondContact O-N 2.91Å; Q46-L48 VanDerWaalsContact C-N 3.34Å; Q46-L48 PolarHBondContact O-N 3.35Å; Q46-D49 PolarHBondContact O-N 3.49Å; Q46-E50 VanDerWaalsContact O-CG 3.32Å; Q46-E50 WeakPolarHBondContact O-CG 3.31Å; Q46-E50 PolarHBondContact O-N 2.87Å |
| 47 | H | 98.5 | Very high | 98.5 | Very high | 104 Ų | 104 | 103 Ų | 103 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 177.7 | -174.5 | 52.2 | 0 | 0 | 0 | 112.8 | R43 K44 Q45 E50 L51 | R43-H47 PolarHBondContact O-N 3.38Å; K44-H47 PolarHBondContact O-N 3.19Å; Q45-H47 VanDerWaalsContact C-N 3.32Å; Q45-H47 PolarHBondContact O-N 3.42Å; H47-E50 IonicContact ND1-OE2 3.91Å; H47-L51 WeakPolarHBondContact O-CB 3.5Å; H47-L51 VanDerWaalsContact O-CG 3.31Å; H47-L51 WeakPolarHBondContact O-CG 3.3Å; H47-L51 PolarHBondContact O-N 3.1Å |
| 48 | L | 98.6 | Very high | 98.6 | Very high | 87 Ų | 87 | 105.3 Ų | 105.3 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -39.1 | 174.2 | -70 | 172.7 | 0 | 0 | 0 | 111.7 | K44 Q45 Q46 L51 A52 | K44-L48 HydrophobicContact CG-CD1 4.42Å; K44-L48 VanDerWaalsContact O-CG 3.3Å; K44-L48 WeakPolarHBondContact O-CG 3.35Å; K44-L48 PolarHBondContact O-N 3.07Å; K44-L48 VanDerWaalsContact O-N 3.07Å; Q45-L48 WeakPolarHBondContact O-CB 3.31Å; Q45-L48 PolarHBondContact O-N 2.85Å; Q45-L48 VanDerWaalsContact O-N 3.1Å; Q46-L48 VanDerWaalsContact C-N 3.34Å; Q46-L48 PolarHBondContact O-N 3.35Å; L48-L51 PolarHBondContact O-N 3.4Å; L48-A52 VanDerWaalsContact O-CB 3.31Å; L48-A52 WeakPolarHBondContact O-CB 3.47Å; L48-A52 PolarHBondContact O-N 3.49Å |
| 49 | D | 98.6 | Very high | 98.6 | Very high | 72 Ų | 72 | 104 Ų | 104 | 39% | 0.385 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 177.6 | -62.8 | -23.3 | 0 | 0 | 0 | 111.3 | Q45 Q46 A52 Q53 | Q45-D49 PolarHBondContact NE2-OD1 2.92Å; Q45-D49 PolarHBondContact O-N 3.02Å; Q46-D49 PolarHBondContact O-N 3.49Å; D49-A52 PolarHBondContact O-N 2.92Å; D49-Q53 WeakPolarHBondContact O-CB 3.25Å; D49-Q53 VanDerWaalsContact O-CG 3.25Å; D49-Q53 WeakPolarHBondContact O-CG 3.48Å; D49-Q53 PolarHBondContact O-N 2.88Å; D49-Q53 PolarHBondContact O-NE2 3.48Å |
| 50 | E | 98.6 | Very high | 98.6 | Very high | 115 Ų | 115 | 100.8 Ų | 100.8 | 54% | 0.537 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.4 | -49.5 | 173.8 | -74.5 | 165.5 | -170.4 | 0 | 0 | 111.3 | Q46 H47 A52 Q53 E54 | Q46-E50 VanDerWaalsContact O-CG 3.32Å; Q46-E50 WeakPolarHBondContact O-CG 3.31Å; Q46-E50 PolarHBondContact O-N 2.87Å; H47-E50 IonicContact ND1-OE2 3.91Å; E50-A52 VanDerWaalsContact C-N 3.32Å; E50-A52 PolarHBondContact O-N 3Å; E50-Q53 WeakPolarHBondContact O-CB 3.5Å; E50-Q53 PolarHBondContact O-N 2.89Å; E50-E54 PolarHBondContact O-N 3.2Å |
| 51 | L | 98.7 | Very high | 98.6 | Very high | 78 Ų | 78 | 102.3 Ų | 102.3 | 41% | 0.408 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 177.5 | -73.1 | 173.8 | 0 | 0 | 0 | 112.2 | H47 L48 Q53 E54 A55 | H47-L51 WeakPolarHBondContact O-CB 3.5Å; H47-L51 VanDerWaalsContact O-CG 3.31Å; H47-L51 WeakPolarHBondContact O-CG 3.3Å; H47-L51 PolarHBondContact O-N 3.1Å; L48-L51 PolarHBondContact O-N 3.4Å; L51-Q53 VanDerWaalsContact C-N 3.35Å; L51-E54 PolarHBondContact O-N 3.02Å; L51-A55 VanDerWaalsContact O-CB 3.31Å; L51-A55 WeakPolarHBondContact O-CB 3.31Å; L51-A55 PolarHBondContact O-N 2.78Å |
| 52 | A | 98.5 | Very high | 98.6 | Very high | 62 Ų | 62 | 98.2 Ų | 98.2 | 51% | 0.512 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L48 D49 E50 A56 | L48-A52 VanDerWaalsContact O-CB 3.31Å; L48-A52 WeakPolarHBondContact O-CB 3.47Å; L48-A52 PolarHBondContact O-N 3.49Å; D49-A52 PolarHBondContact O-N 2.92Å; E50-A52 VanDerWaalsContact C-N 3.32Å; E50-A52 PolarHBondContact O-N 3Å; A52-A56 WeakPolarHBondContact O-CB 3.35Å; A52-A56 PolarHBondContact O-N 3.28Å; A52-A56 VanDerWaalsContact O-N 3.07Å |
| 53 | Q | 98.6 | Very high | 98.6 | Very high | 125 Ų | 125 | 96.8 Ų | 96.8 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.3 | -46.7 | 174.6 | -74.6 | 166.8 | 66.3 | 0 | 0 | 111.5 | D49 E50 L51 A55 A56 L57 | D49-Q53 WeakPolarHBondContact O-CB 3.25Å; D49-Q53 VanDerWaalsContact O-CG 3.25Å; D49-Q53 WeakPolarHBondContact O-CG 3.48Å; D49-Q53 PolarHBondContact O-N 2.88Å; D49-Q53 PolarHBondContact O-NE2 3.48Å; E50-Q53 WeakPolarHBondContact O-CB 3.5Å; E50-Q53 PolarHBondContact O-N 2.89Å; L51-Q53 VanDerWaalsContact C-N 3.35Å; Q53-A55 PolarHBondContact O-N 2.86Å; Q53-A56 PolarHBondContact O-N 2.93Å; Q53-L57 WeakPolarHBondContact O-CG 3.43Å; Q53-L57 PolarHBondContact O-N 2.89Å |
| 54 | E | 98.6 | Very high | 98.6 | Very high | 110 Ų | 110 | 94.9 Ų | 94.9 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 178.4 | -173.1 | 177.7 | -176.5 | 0 | 0 | 111.5 | E50 L51 A56 L57 L58 | E50-E54 PolarHBondContact O-N 3.2Å; L51-E54 PolarHBondContact O-N 3.02Å; E54-A56 VanDerWaalsContact C-N 3.33Å; E54-A56 PolarHBondContact O-N 2.85Å; E54-L57 PolarHBondContact O-N 3.24Å; E54-L58 HydrophobicContact CG-CD1 4.08Å; E54-L58 HydrophobicContact CG-CG 4.47Å; E54-L58 WeakPolarHBondContact O-CB 3.37Å; E54-L58 WeakPolarHBondContact O-CG 3.47Å; E54-L58 PolarHBondContact O-N 3.24Å |
| 55 | A | 98.7 | Very high | 98.6 | Very high | 46 Ų | 46 | 91.5 Ų | 91.5 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | L51 Q53 L58 Q59 | L51-A55 VanDerWaalsContact O-CB 3.31Å; L51-A55 WeakPolarHBondContact O-CB 3.31Å; L51-A55 PolarHBondContact O-N 2.78Å; Q53-A55 PolarHBondContact O-N 2.86Å; A55-L58 PolarHBondContact O-N 3.07Å; A55-Q59 WeakPolarHBondContact O-CB 3.49Å; A55-Q59 WeakPolarHBondContact O-CG 3.49Å; A55-Q59 PolarHBondContact O-N 3.48Å |
| 56 | A | 98.5 | Very high | 98.6 | Very high | 53 Ų | 53 | 89.8 Ų | 89.8 | 44% | 0.438 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A52 Q53 E54 Q59 A60 | A52-A56 WeakPolarHBondContact O-CB 3.35Å; A52-A56 PolarHBondContact O-N 3.28Å; A52-A56 VanDerWaalsContact O-N 3.07Å; Q53-A56 PolarHBondContact O-N 2.93Å; E54-A56 VanDerWaalsContact C-N 3.33Å; E54-A56 PolarHBondContact O-N 2.85Å; A56-Q59 PolarHBondContact O-N 3.49Å; A56-A60 WeakPolarHBondContact O-CB 3.38Å; A56-A60 PolarHBondContact O-N 2.91Å |
| 57 | L | 98.7 | Very high | 98.6 | Very high | 125 Ų | 125 | 88.2 Ų | 88.2 | 65% | 0.654 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.4 | -47.8 | 175.6 | -71.6 | 173.7 | 0 | 0 | 0 | 111.6 | Q53 E54 Q59 A60 E61 | Q53-L57 WeakPolarHBondContact O-CG 3.43Å; Q53-L57 PolarHBondContact O-N 2.89Å; E54-L57 PolarHBondContact O-N 3.24Å; L57-Q59 VanDerWaalsContact C-N 3.32Å; L57-Q59 PolarHBondContact O-N 2.94Å; L57-A60 PolarHBondContact O-N 3.41Å; L57-E61 WeakPolarHBondContact O-CB 3.29Å; L57-E61 PolarHBondContact O-N 2.68Å |
| 58 | L | 98.7 | Very high | 98.6 | Very high | 84 Ų | 84 | 90.7 Ų | 90.7 | 44% | 0.44 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 177.7 | -71.1 | 173 | 0 | 0 | 0 | 112 | E54 A55 E61 N62 | E54-L58 HydrophobicContact CG-CD1 4.08Å; E54-L58 HydrophobicContact CG-CG 4.47Å; E54-L58 WeakPolarHBondContact O-CB 3.37Å; E54-L58 WeakPolarHBondContact O-CG 3.47Å; E54-L58 PolarHBondContact O-N 3.24Å; A55-L58 PolarHBondContact O-N 3.07Å; L58-E61 PolarHBondContact O-N 3.3Å; L58-N62 VanDerWaalsContact O-CB 3.29Å; L58-N62 WeakPolarHBondContact O-CB 3.21Å; L58-N62 VanDerWaalsContact O-CG 3.27Å; L58-N62 PolarHBondContact O-N 3.45Å; L58-N62 PolarHBondContact O-ND2 3.24Å; L58-N62 VanDerWaalsContact O-ND2 3.14Å |
| 59 | Q | 98.7 | Very high | 98.6 | Very high | 138 Ų | 138 | 89.3 Ų | 89.3 | 65% | 0.645 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.4 | -45.1 | 173.7 | -77.6 | 174.3 | 0.2 | 0 | 0 | 111.9 | A55 A56 L57 N62 A63 | A55-Q59 WeakPolarHBondContact O-CB 3.49Å; A55-Q59 WeakPolarHBondContact O-CG 3.49Å; A55-Q59 PolarHBondContact O-N 3.48Å; A56-Q59 PolarHBondContact O-N 3.49Å; L57-Q59 VanDerWaalsContact C-N 3.32Å; L57-Q59 PolarHBondContact O-N 2.94Å; Q59-N62 PolarHBondContact O-N 3.44Å; Q59-A63 WeakPolarHBondContact O-CB 3.37Å; Q59-A63 PolarHBondContact O-N 3Å |
| 60 | A | 98.6 | Very high | 98.5 | Very high | 65 Ų | 65 | 88.9 Ų | 88.9 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A56 L57 A63 R64 | A56-A60 WeakPolarHBondContact O-CB 3.38Å; A56-A60 PolarHBondContact O-N 2.91Å; L57-A60 PolarHBondContact O-N 3.41Å; A60-A63 PolarHBondContact O-N 3.45Å; A60-R64 WeakPolarHBondContact O-CB 3.12Å; A60-R64 PolarHBondContact O-N 3.14Å |
| 61 | E | 98.6 | Very high | 98.5 | Very high | 96 Ų | 96 | 87.3 Ų | 87.3 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | 176 | -179.1 | 162.7 | -148.2 | 0 | 0 | 112.1 | L57 L58 A63 R64 V65 | L57-E61 WeakPolarHBondContact O-CB 3.29Å; L57-E61 PolarHBondContact O-N 2.68Å; L58-E61 PolarHBondContact O-N 3.3Å; E61-A63 VanDerWaalsContact C-N 3.31Å; E61-A63 PolarHBondContact O-N 2.87Å; E61-R64 WeakPolarHBondContact O-CB 3.42Å; E61-R64 PolarHBondContact O-N 2.86Å; E61-R64 VanDerWaalsContact O-N 3.1Å; E61-R64 IonicContact OE1-NH2 3.06Å; E61-V65 HydrophobicContact CG-CG2 4.28Å; E61-V65 WeakPolarHBondContact O-CG2 3.31Å; E61-V65 PolarHBondContact O-N 3.05Å |
| 62 | N | 98.6 | Very high | 98.4 | Very high | 109 Ų | 109 | 87.8 Ų | 87.8 | 58% | 0.583 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.3 | -43.6 | 175.5 | -80 | -34.5 | 0 | 0 | 0 | 111.5 | L58 Q59 R64 V65 A66 | L58-N62 VanDerWaalsContact O-CB 3.29Å; L58-N62 WeakPolarHBondContact O-CB 3.21Å; L58-N62 VanDerWaalsContact O-CG 3.27Å; L58-N62 PolarHBondContact O-N 3.45Å; L58-N62 PolarHBondContact O-ND2 3.24Å; L58-N62 VanDerWaalsContact O-ND2 3.14Å; Q59-N62 PolarHBondContact O-N 3.44Å; N62-R64 VanDerWaalsContact C-N 3.34Å; N62-R64 PolarHBondContact O-N 3.46Å; N62-V65 PolarHBondContact O-N 3.49Å; N62-A66 VanDerWaalsContact O-CB 3.31Å; N62-A66 WeakPolarHBondContact O-CB 3.44Å; N62-A66 PolarHBondContact O-N 3.47Å |
| 63 | A | 98.5 | Very high | 98.4 | Very high | 63 Ų | 63 | 87.7 Ų | 87.7 | 52% | 0.521 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q59 A60 E61 A66 A67 | Q59-A63 WeakPolarHBondContact O-CB 3.37Å; Q59-A63 PolarHBondContact O-N 3Å; A60-A63 PolarHBondContact O-N 3.45Å; E61-A63 VanDerWaalsContact C-N 3.31Å; E61-A63 PolarHBondContact O-N 2.87Å; A63-A66 PolarHBondContact O-N 3.49Å; A63-A67 WeakPolarHBondContact O-CB 3.44Å; A63-A67 PolarHBondContact O-N 3.44Å |
| 64 | R | 98.5 | Very high | 98.3 | Very high | 126 Ų | 126 | 85 Ų | 85 | 48% | 0.475 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 176.4 | -173.1 | -174 | 72.7 | 122.7 | -0.5 | 112.2 | A60 E61 N62 A67 R68 | A60-R64 WeakPolarHBondContact O-CB 3.12Å; A60-R64 PolarHBondContact O-N 3.14Å; E61-R64 WeakPolarHBondContact O-CB 3.42Å; E61-R64 PolarHBondContact O-N 2.86Å; E61-R64 VanDerWaalsContact O-N 3.1Å; E61-R64 IonicContact OE1-NH2 3.06Å; N62-R64 VanDerWaalsContact C-N 3.34Å; N62-R64 PolarHBondContact O-N 3.46Å; R64-A67 PolarHBondContact O-N 2.92Å; R64-R68 WeakPolarHBondContact O-CG 3.4Å; R64-R68 PolarHBondContact O-N 3.06Å |
| 65 | V | 98.5 | Very high | 98.2 | Very high | 73 Ų | 73 | 83.9 Ų | 83.9 | 44% | 0.442 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.4 | -43.5 | 178.4 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | E61 N62 A67 R68 A69 | E61-V65 HydrophobicContact CG-CG2 4.28Å; E61-V65 WeakPolarHBondContact O-CG2 3.31Å; E61-V65 PolarHBondContact O-N 3.05Å; N62-V65 PolarHBondContact O-N 3.49Å; V65-A67 PolarHBondContact O-N 2.98Å; V65-R68 PolarHBondContact O-N 3.47Å; V65-A69 WeakPolarHBondContact O-CB 3.43Å; V65-A69 PolarHBondContact O-N 3.1Å |
| 66 | A | 98.4 | Very high | 98.1 | Very high | 61 Ų | 61 | 85.4 Ų | 85.4 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N62 A63 R68 A69 A70 | N62-A66 VanDerWaalsContact O-CB 3.31Å; N62-A66 WeakPolarHBondContact O-CB 3.44Å; N62-A66 PolarHBondContact O-N 3.47Å; A63-A66 PolarHBondContact O-N 3.49Å; A66-R68 PolarHBondContact O-N 3.25Å; A66-A69 PolarHBondContact O-N 2.86Å; A66-A70 PolarHBondContact O-N 3.37Å |
| 67 | A | 98.4 | Very high | 97.9 | Very high | 61 Ų | 61 | 85.8 Ų | 85.8 | 50% | 0.504 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A63 R64 V65 A70 D71 | A63-A67 WeakPolarHBondContact O-CB 3.44Å; A63-A67 PolarHBondContact O-N 3.44Å; R64-A67 PolarHBondContact O-N 2.92Å; V65-A67 PolarHBondContact O-N 2.98Å; A67-A70 PolarHBondContact O-N 3.39Å; A67-D71 PolarHBondContact O-N 2.89Å |
| 68 | R | 98.5 | Very high | 97.7 | Very high | 156 Ų | 156 | 87 Ų | 87 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.6 | -41.1 | 175.2 | -75.1 | -179.1 | 178.7 | -126.8 | -1.9 | 112.5 | R64 V65 A66 A70 D71 V72 | R64-R68 WeakPolarHBondContact O-CG 3.4Å; R64-R68 PolarHBondContact O-N 3.06Å; V65-R68 PolarHBondContact O-N 3.47Å; A66-R68 PolarHBondContact O-N 3.25Å; R68-A70 VanDerWaalsContact C-N 3.32Å; R68-A70 PolarHBondContact O-N 2.98Å; R68-D71 PolarHBondContact O-N 3.46Å; R68-V72 WeakPolarHBondContact O-CG2 3.36Å; R68-V72 PolarHBondContact O-N 2.98Å |
| 69 | A | 98.1 | Very high | 97.5 | Very high | 58 Ų | 58 | 86 Ų | 86 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V65 A66 A73 | V65-A69 WeakPolarHBondContact O-CB 3.43Å; V65-A69 PolarHBondContact O-N 3.1Å; A66-A69 PolarHBondContact O-N 2.86Å; A69-A73 VanDerWaalsContact O-CB 3.31Å; A69-A73 WeakPolarHBondContact O-CB 3.27Å; A69-A73 PolarHBondContact O-N 2.83Å |
| 70 | A | 97.6 | Very high | 97.2 | Very high | 63 Ų | 63 | 82.5 Ų | 82.5 | 52% | 0.521 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A66 A67 R68 A73 S74 | A66-A70 PolarHBondContact O-N 3.37Å; A67-A70 PolarHBondContact O-N 3.39Å; R68-A70 VanDerWaalsContact C-N 3.32Å; R68-A70 PolarHBondContact O-N 2.98Å; A70-A73 PolarHBondContact O-N 3.11Å; A70-S74 PolarHBondContact O-N 2.96Å |
| 71 | D | 98.2 | Very high | 97 | Very high | 82 Ų | 82 | 85.9 Ų | 85.9 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.1 | -51.1 | 174.6 | 177.3 | 46.3 | 0 | 0 | 0 | 111.3 | A67 R68 A73 S74 Q75 | A67-D71 PolarHBondContact O-N 2.89Å; R68-D71 PolarHBondContact O-N 3.46Å; D71-A73 VanDerWaalsContact C-N 3.32Å; D71-A73 PolarHBondContact O-N 2.77Å; D71-S74 PolarHBondContact O-N 3.5Å; D71-S74 VanDerWaalsContact O-N 3.1Å; D71-S74 PolarHBondContact O-OG 2.91Å; D71-Q75 WeakPolarHBondContact O-CG 3.38Å; D71-Q75 PolarHBondContact O-N 3.31Å; D71-Q75 PolarHBondContact OD1-NE2 3.01Å; D71-Q75 PolarHBondContact OD2-NE2 2.74Å |
| 72 | V | 97.8 | Very high | 96.8 | Very high | 88 Ų | 88 | 85.9 Ų | 85.9 | 53% | 0.533 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 177.1 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | R68 S74 Q75 N76 | R68-V72 WeakPolarHBondContact O-CG2 3.36Å; R68-V72 PolarHBondContact O-N 2.98Å; V72-S74 VanDerWaalsContact C-N 3.33Å; V72-S74 PolarHBondContact O-N 2.83Å; V72-Q75 PolarHBondContact O-N 3.36Å; V72-N76 WeakPolarHBondContact O-CB 3.42Å; V72-N76 PolarHBondContact O-N 2.93Å |
| 73 | A | 96.7 | Very high | 96.5 | Very high | 59 Ų | 59 | 83 Ų | 83 | 49% | 0.488 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A69 A70 D71 N76 A77 | A69-A73 VanDerWaalsContact O-CB 3.31Å; A69-A73 WeakPolarHBondContact O-CB 3.27Å; A69-A73 PolarHBondContact O-N 2.83Å; A70-A73 PolarHBondContact O-N 3.11Å; D71-A73 VanDerWaalsContact C-N 3.32Å; D71-A73 PolarHBondContact O-N 2.77Å; A73-N76 PolarHBondContact O-N 2.95Å; A73-A77 WeakPolarHBondContact O-CB 3.31Å; A73-A77 PolarHBondContact O-N 2.89Å |
| 74 | S | 97.2 | Very high | 96.1 | Very high | 68 Ų | 68 | 82.5 Ų | 82.5 | 48% | 0.476 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 176.8 | 79.9 | 0 | 0 | 0 | 0 | 112.5 | A70 D71 V72 A77 R78 | A70-S74 PolarHBondContact O-N 2.96Å; D71-S74 PolarHBondContact O-N 3.5Å; D71-S74 VanDerWaalsContact O-N 3.1Å; D71-S74 PolarHBondContact O-OG 2.91Å; V72-S74 VanDerWaalsContact C-N 3.33Å; V72-S74 PolarHBondContact O-N 2.83Å; S74-A77 PolarHBondContact O-N 3.38Å; S74-R78 PolarHBondContact O-N 2.97Å |
| 75 | Q | 97.7 | Very high | 95.9 | Very high | 87 Ų | 87 | 80 Ų | 80 | 41% | 0.407 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 175.9 | -69 | 173.3 | 17.6 | 0 | 0 | 110.9 | D71 V72 R78 V79 | D71-Q75 WeakPolarHBondContact O-CG 3.38Å; D71-Q75 PolarHBondContact O-N 3.31Å; D71-Q75 PolarHBondContact OD1-NE2 3.01Å; D71-Q75 PolarHBondContact OD2-NE2 2.74Å; V72-Q75 PolarHBondContact O-N 3.36Å; Q75-R78 WeakPolarHBondContact O-CB 3.38Å; Q75-R78 PolarHBondContact O-N 3.49Å; Q75-V79 WeakPolarHBondContact O-CG2 3.4Å; Q75-V79 PolarHBondContact O-N 2.7Å |
| 76 | N | 95.1 | Very high | 95.7 | Very high | 78 Ų | 78 | 81.7 Ų | 81.7 | 42% | 0.417 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 176.2 | -168.3 | 21 | 0 | 0 | 0 | 111.5 | V72 A73 R78 V79 E80 | V72-N76 WeakPolarHBondContact O-CB 3.42Å; V72-N76 PolarHBondContact O-N 2.93Å; A73-N76 PolarHBondContact O-N 2.95Å; N76-R78 VanDerWaalsContact C-N 3.29Å; N76-R78 PolarHBondContact O-N 2.89Å; N76-V79 PolarHBondContact O-N 3.1Å; N76-E80 PolarHBondContact O-N 3.39Å |
| 77 | A | 93.7 | Very high | 95.3 | Very high | 62 Ų | 62 | 80.7 Ų | 80.7 | 51% | 0.512 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | A73 S74 Q81 | A73-A77 WeakPolarHBondContact O-CB 3.31Å; A73-A77 PolarHBondContact O-N 2.89Å; S74-A77 PolarHBondContact O-N 3.38Å; A77-Q81 PolarHBondContact O-N 3.15Å |
| 78 | R | 96.5 | Very high | 94.9 | Very high | 151 Ų | 151 | 80.7 Ų | 80.7 | 57% | 0.57 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.4 | -46.6 | 174.5 | -168.1 | -176.9 | 76.4 | -167.1 | -3.3 | 111.7 | S74 Q75 N76 E80 Q81 E82 | S74-R78 PolarHBondContact O-N 2.97Å; Q75-R78 WeakPolarHBondContact O-CB 3.38Å; Q75-R78 PolarHBondContact O-N 3.49Å; N76-R78 VanDerWaalsContact C-N 3.29Å; N76-R78 PolarHBondContact O-N 2.89Å; R78-E80 VanDerWaalsContact C-N 3.33Å; R78-E80 PolarHBondContact O-N 3.44Å; R78-Q81 WeakPolarHBondContact O-CB 3.48Å; R78-Q81 PolarHBondContact O-N 3.34Å; R78-E82 IonicContact NE-OE1 3.6Å; R78-E82 PolarHBondContact NE-OE1 3.46Å; R78-E82 WeakPolarHBondContact O-CG 3.19Å; R78-E82 PolarHBondContact O-N 2.93Å |
| 79 | V | 94.4 | Very high | 94.7 | Very high | 61 Ų | 61 | 80.9 Ų | 80.9 | 37% | 0.37 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 178.1 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | Q75 N76 Q81 E82 N83 | Q75-V79 WeakPolarHBondContact O-CG2 3.4Å; Q75-V79 PolarHBondContact O-N 2.7Å; N76-V79 PolarHBondContact O-N 3.1Å; V79-Q81 VanDerWaalsContact C-N 3.33Å; V79-Q81 PolarHBondContact O-N 3.08Å; V79-E82 PolarHBondContact O-N 2.97Å; V79-N83 WeakPolarHBondContact O-CB 3.42Å; V79-N83 VanDerWaalsContact O-CG 3.23Å; V79-N83 PolarHBondContact O-N 3.36Å; V79-N83 PolarHBondContact O-ND2 2.77Å |
| 80 | E | 91.1 | Very high | 94.3 | Very high | 66 Ų | 66 | 80.4 Ų | 80.4 | 31% | 0.308 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.8 | -36.3 | 174.8 | -79.2 | -59.8 | 158.3 | 0 | 0 | 112.8 | N76 R78 N83 A84 R87 | N76-E80 PolarHBondContact O-N 3.39Å; R78-E80 VanDerWaalsContact C-N 3.33Å; R78-E80 PolarHBondContact O-N 3.44Å; E80-N83 PolarHBondContact O-N 2.96Å; E80-A84 WeakPolarHBondContact O-CB 3.47Å; E80-A84 PolarHBondContact O-N 3.48Å; E80-R87 IonicContact OE2-NH1 4Å; E80-R87 PolarHBondContact OE2-NH1 3.46Å |
| 81 | Q | 94 | Very high | 93.8 | Very high | 136 Ų | 136 | 79.4 Ų | 79.4 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64.1 | -46 | 172.9 | -173.9 | -178.8 | 30 | 0 | 0 | 111.7 | A77 R78 V79 N83 A84 V85 | A77-Q81 PolarHBondContact O-N 3.15Å; R78-Q81 WeakPolarHBondContact O-CB 3.48Å; R78-Q81 PolarHBondContact O-N 3.34Å; V79-Q81 VanDerWaalsContact C-N 3.33Å; V79-Q81 PolarHBondContact O-N 3.08Å; Q81-N83 VanDerWaalsContact C-N 3.34Å; Q81-N83 PolarHBondContact O-N 3.23Å; Q81-A84 WeakPolarHBondContact O-CB 3.42Å; Q81-A84 PolarHBondContact O-N 3.21Å; Q81-V85 WeakPolarHBondContact O-CG2 3.46Å; Q81-V85 PolarHBondContact O-N 2.96Å; Q81-V85 VanDerWaalsContact O-N 3.08Å |
| 82 | E | 95.6 | Very high | 93.5 | Very high | 96 Ų | 96 | 80 Ų | 80 | 45% | 0.449 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 175.9 | -70.8 | 171.6 | -155.5 | 0 | 0 | 111 | R78 V79 A84 V85 L86 | R78-E82 IonicContact NE-OE1 3.6Å; R78-E82 PolarHBondContact NE-OE1 3.46Å; R78-E82 WeakPolarHBondContact O-CG 3.19Å; R78-E82 PolarHBondContact O-N 2.93Å; V79-E82 PolarHBondContact O-N 2.97Å; E82-A84 VanDerWaalsContact C-N 3.34Å; E82-A84 PolarHBondContact O-N 2.95Å; E82-V85 PolarHBondContact O-N 3.18Å; E82-L86 WeakPolarHBondContact O-CG 3.43Å; E82-L86 PolarHBondContact O-N 3.22Å |
| 83 | N | 92.3 | Very high | 93.2 | Very high | 48 Ų | 48 | 81.2 Ų | 81.2 | 26% | 0.257 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61 | -41 | 175.1 | -74.3 | -26.9 | 0 | 0 | 0 | 111.9 | V79 E80 Q81 V85 L86 R87 | V79-N83 WeakPolarHBondContact O-CB 3.42Å; V79-N83 VanDerWaalsContact O-CG 3.23Å; V79-N83 PolarHBondContact O-N 3.36Å; V79-N83 PolarHBondContact O-ND2 2.77Å; E80-N83 PolarHBondContact O-N 2.96Å; Q81-N83 VanDerWaalsContact C-N 3.34Å; Q81-N83 PolarHBondContact O-N 3.23Å; N83-V85 VanDerWaalsContact C-N 3.32Å; N83-V85 PolarHBondContact O-N 3.45Å; N83-L86 PolarHBondContact O-N 3.03Å; N83-R87 WeakPolarHBondContact O-CB 3.37Å; N83-R87 WeakPolarHBondContact O-CG 3.42Å; N83-R87 PolarHBondContact O-N 3.07Å |
| 84 | A | 89.7 | Confident | 92.8 | Very high | 53 Ų | 53 | 79.3 Ų | 79.3 | 44% | 0.438 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | E80 Q81 E82 A88 | E80-A84 WeakPolarHBondContact O-CB 3.47Å; E80-A84 PolarHBondContact O-N 3.48Å; Q81-A84 WeakPolarHBondContact O-CB 3.42Å; Q81-A84 PolarHBondContact O-N 3.21Å; E82-A84 VanDerWaalsContact C-N 3.34Å; E82-A84 PolarHBondContact O-N 2.95Å; A84-A88 WeakPolarHBondContact O-CB 3.25Å; A84-A88 PolarHBondContact O-N 2.87Å |
| 85 | V | 94.6 | Very high | 92.5 | Very high | 74 Ų | 74 | 78.4 Ų | 78.4 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 174.8 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | Q81 E82 N83 A88 R89 | Q81-V85 WeakPolarHBondContact O-CG2 3.46Å; Q81-V85 PolarHBondContact O-N 2.96Å; Q81-V85 VanDerWaalsContact O-N 3.08Å; E82-V85 PolarHBondContact O-N 3.18Å; N83-V85 VanDerWaalsContact C-N 3.32Å; N83-V85 PolarHBondContact O-N 3.45Å; V85-A88 PolarHBondContact O-N 3.4Å; V85-R89 WeakPolarHBondContact O-CG 3.22Å; V85-R89 PolarHBondContact O-N 3.31Å |
| 86 | L | 93.7 | Very high | 92.3 | Very high | 108 Ų | 108 | 81.4 Ų | 81.4 | 57% | 0.565 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.1 | -43.7 | 178.2 | -71.1 | 173.5 | 0 | 0 | 0 | 111.7 | E82 N83 A88 R89 A90 | E82-L86 WeakPolarHBondContact O-CG 3.43Å; E82-L86 PolarHBondContact O-N 3.22Å; N83-L86 PolarHBondContact O-N 3.03Å; L86-A88 PolarHBondContact O-N 3.38Å; L86-R89 PolarHBondContact O-N 3.31Å; L86-A90 WeakPolarHBondContact O-CB 3.44Å; L86-A90 PolarHBondContact O-N 3.47Å |
| 87 | R | 90 | Very high | 92.1 | Very high | 39 Ų | 39 | 81.5 Ų | 81.5 | 15% | 0.147 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 175.6 | -70 | 175.6 | -169.6 | 122.2 | 0.4 | 111.9 | E80 N83 A90 A91 L129 | E80-R87 IonicContact OE2-NH1 4Å; E80-R87 PolarHBondContact OE2-NH1 3.46Å; N83-R87 WeakPolarHBondContact O-CB 3.37Å; N83-R87 WeakPolarHBondContact O-CG 3.42Å; N83-R87 PolarHBondContact O-N 3.07Å; R87-A90 PolarHBondContact O-N 2.87Å; R87-A91 WeakPolarHBondContact O-CB 3.39Å; R87-A91 PolarHBondContact O-N 2.88Å; R87-L129 HydrophobicContact CB-CD2 3.87Å; R87-L129 WeakPolarHBondContact CD-O 3.39Å; R87-L129 HydrophobicContact CG-CD2 4.03Å |
| 88 | A | 90.3 | Very high | 92 | Very high | 61 Ų | 61 | 82.2 Ų | 82.2 | 50% | 0.504 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | A84 V85 L86 A91 E92 | A84-A88 WeakPolarHBondContact O-CB 3.25Å; A84-A88 PolarHBondContact O-N 2.87Å; V85-A88 PolarHBondContact O-N 3.4Å; L86-A88 PolarHBondContact O-N 3.38Å; A88-A91 PolarHBondContact O-N 3.1Å; A88-E92 PolarHBondContact O-N 3.5Å |
| 89 | R | 93.4 | Very high | 91.8 | Very high | 161 Ų | 161 | 78.3 Ų | 78.3 | 61% | 0.608 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.1 | -40.9 | 176.1 | -72.7 | -174.9 | 178.2 | -159.3 | 0.6 | 112.6 | V85 L86 A91 E92 L93 | V85-R89 WeakPolarHBondContact O-CG 3.22Å; V85-R89 PolarHBondContact O-N 3.31Å; L86-R89 PolarHBondContact O-N 3.31Å; R89-A91 VanDerWaalsContact C-N 3.33Å; R89-E92 PolarHBondContact O-N 2.84Å; R89-L93 WeakPolarHBondContact O-CB 3.48Å; R89-L93 WeakPolarHBondContact O-CG 3.43Å; R89-L93 PolarHBondContact O-N 3.36Å |
| 90 | A | 90.2 | Very high | 91.8 | Very high | 47 Ų | 47 | 79.7 Ų | 79.7 | 39% | 0.388 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | L86 R87 E92 L93 G94 L129 | L86-A90 WeakPolarHBondContact O-CB 3.44Å; L86-A90 PolarHBondContact O-N 3.47Å; R87-A90 PolarHBondContact O-N 2.87Å; A90-E92 PolarHBondContact O-N 3.16Å; A90-L93 PolarHBondContact O-N 3.25Å; A90-G94 PolarHBondContact O-N 2.87Å; A90-L129 HydrophobicContact CB-CD2 3.98Å |
| 91 | A | 87.3 | Confident | 91.9 | Very high | 43 Ų | 43 | 77.2 Ų | 77.2 | 36% | 0.355 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R87 A88 R89 G94 A95 | R87-A91 WeakPolarHBondContact O-CB 3.39Å; R87-A91 PolarHBondContact O-N 2.88Å; A88-A91 PolarHBondContact O-N 3.1Å; R89-A91 VanDerWaalsContact C-N 3.33Å; A91-G94 PolarHBondContact O-N 2.86Å; A91-A95 WeakPolarHBondContact O-CB 3.48Å; A91-A95 PolarHBondContact O-N 3.19Å |
| 92 | E | 92 | Very high | 91.8 | Very high | 95 Ų | 95 | 76.6 Ų | 76.6 | 44% | 0.444 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63 | -49.6 | 175.5 | -178.5 | -175.5 | -179.1 | 0 | 0 | 112 | A88 R89 A90 G94 A95 R96 | A88-E92 PolarHBondContact O-N 3.5Å; R89-E92 PolarHBondContact O-N 2.84Å; A90-E92 PolarHBondContact O-N 3.16Å; E92-G94 VanDerWaalsContact C-N 3.31Å; E92-G94 PolarHBondContact O-N 3.29Å; E92-A95 PolarHBondContact O-N 3.08Å; E92-R96 WeakPolarHBondContact O-CG 3.5Å; E92-R96 PolarHBondContact O-N 3.43Å; E92-R96 IonicContact OE1-CZ 3.3Å; E92-R96 VanDerWaalsContact OE1-CZ 3.3Å; E92-R96 IonicContact OE1-NE 3.74Å; E92-R96 PolarHBondContact OE1-NE 3.5Å; E92-R96 IonicContact OE1-NH2 2.63Å; E92-R96 PolarHBondContact OE1-NH2 3.48Å |
| 93 | L | 92.4 | Very high | 91.8 | Very high | 112 Ų | 112 | 76.4 Ų | 76.4 | 59% | 0.586 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 177.9 | -70 | 174.1 | 0 | 0 | 0 | 111.3 | R89 A90 A95 R96 L97 | R89-L93 WeakPolarHBondContact O-CB 3.48Å; R89-L93 WeakPolarHBondContact O-CG 3.43Å; R89-L93 PolarHBondContact O-N 3.36Å; A90-L93 PolarHBondContact O-N 3.25Å; L93-A95 VanDerWaalsContact C-N 3.35Å; L93-A95 PolarHBondContact O-N 3.41Å; L93-R96 PolarHBondContact O-N 2.88Å; L93-L97 WeakPolarHBondContact O-CB 3.45Å; L93-L97 PolarHBondContact O-N 3.04Å |
| 94 | G | 88.4 | Confident | 91.8 | Very high | 20 Ų | 20 | 76.4 Ų | 76.4 | 21% | 0.206 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A90 A91 E92 R96 L97 R98 | A90-G94 PolarHBondContact O-N 2.87Å; A91-G94 PolarHBondContact O-N 2.86Å; E92-G94 VanDerWaalsContact C-N 3.31Å; E92-G94 PolarHBondContact O-N 3.29Å; G94-R96 PolarHBondContact O-N 3.48Å; G94-L97 PolarHBondContact O-N 3.28Å; G94-R98 WeakPolarHBondContact O-CG 3.48Å; G94-R98 PolarHBondContact O-N 2.91Å; G94-R98 VanDerWaalsContact O-N 3.09Å; G94-R98 PolarHBondContact O-NH1 3.44Å |
| 95 | A | 89.1 | Confident | 92 | Very high | 48 Ų | 48 | 80.7 Ų | 80.7 | 40% | 0.397 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A91 E92 L93 L97 R98 S99 | A91-A95 WeakPolarHBondContact O-CB 3.48Å; A91-A95 PolarHBondContact O-N 3.19Å; E92-A95 PolarHBondContact O-N 3.08Å; L93-A95 VanDerWaalsContact C-N 3.35Å; L93-A95 PolarHBondContact O-N 3.41Å; A95-L97 VanDerWaalsContact C-N 3.35Å; A95-R98 PolarHBondContact O-N 2.94Å; A95-S99 PolarHBondContact O-N 3.31Å; A95-S99 VanDerWaalsContact O-N 3.13Å |
| 96 | R | 93.5 | Very high | 92 | Very high | 150 Ų | 150 | 81.6 Ų | 81.6 | 57% | 0.566 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 175.6 | -68.6 | 173.7 | -177.3 | -146.9 | 2.3 | 111.5 | E92 L93 G94 S99 V100 | E92-R96 WeakPolarHBondContact O-CG 3.5Å; E92-R96 PolarHBondContact O-N 3.43Å; E92-R96 IonicContact OE1-CZ 3.3Å; E92-R96 VanDerWaalsContact OE1-CZ 3.3Å; E92-R96 IonicContact OE1-NE 3.74Å; E92-R96 PolarHBondContact OE1-NE 3.5Å; E92-R96 IonicContact OE1-NH2 2.63Å; E92-R96 PolarHBondContact OE1-NH2 3.48Å; L93-R96 PolarHBondContact O-N 2.88Å; G94-R96 PolarHBondContact O-N 3.48Å; R96-S99 PolarHBondContact O-N 3.24Å; R96-V100 WeakPolarHBondContact O-CG2 3.36Å; R96-V100 PolarHBondContact O-N 2.91Å; R96-V100 VanDerWaalsContact O-N 3.07Å |
| 97 | L | 92.6 | Very high | 92.1 | Very high | 81 Ų | 81 | 79.9 Ų | 79.9 | 42% | 0.424 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 177 | -177.3 | 60.9 | 0 | 0 | 0 | 111.3 | L93 G94 A95 S99 V100 N101 | L93-L97 WeakPolarHBondContact O-CB 3.45Å; L93-L97 PolarHBondContact O-N 3.04Å; G94-L97 PolarHBondContact O-N 3.28Å; A95-L97 VanDerWaalsContact C-N 3.35Å; L97-S99 VanDerWaalsContact C-N 3.33Å; L97-S99 PolarHBondContact O-N 3.03Å; L97-V100 PolarHBondContact O-N 2.99Å; L97-N101 WeakPolarHBondContact O-CB 3.47Å; L97-N101 VanDerWaalsContact O-CG 3.29Å; L97-N101 PolarHBondContact O-N 3.09Å; L97-N101 PolarHBondContact O-ND2 3.49Å |
| 98 | R | 90.3 | Very high | 92.3 | Very high | 76 Ų | 76 | 80.8 Ų | 80.8 | 29% | 0.287 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 176.3 | -7 | -169.6 | -150 | -65.1 | -15.7 | 113 | G94 A95 V100 N101 E102 E120 | G94-R98 WeakPolarHBondContact O-CG 3.48Å; G94-R98 PolarHBondContact O-N 2.91Å; G94-R98 VanDerWaalsContact O-N 3.09Å; G94-R98 PolarHBondContact O-NH1 3.44Å; A95-R98 PolarHBondContact O-N 2.94Å; R98-V100 PolarHBondContact O-N 3.31Å; R98-N101 CarbonylContact O-C 3.58Å; R98-N101 PolarHBondContact O-N 3.3Å; R98-N101 VanDerWaalsContact O-N 3.14Å; R98-E102 WeakPolarHBondContact O-CB 3.1Å; R98-E102 WeakPolarHBondContact O-CG 3.46Å; R98-E102 PolarHBondContact O-N 2.89Å; R98-E120 WeakPolarHBondContact CA-OE1 3.39Å; R98-E120 WeakPolarHBondContact CB-OE1 3.42Å; R98-E120 WeakPolarHBondContact CD-OE2 3.45Å; R98-E120 WeakPolarHBondContact CG-OE1 3.33Å; R98-E120 WeakPolarHBondContact CG-OE2 3.35Å; R98-E120 IonicContact CZ-OE2 3.05Å; R98-E120 PolarHBondContact N-OE1 3.39Å; R98-E120 IonicContact NE-OE2 3.35Å; R98-E120 IonicContact NH1-OE2 3.92Å; R98-E120 PolarHBondContact NH1-OE2 3.37Å |
| 99 | S | 92.6 | Very high | 92.5 | Very high | 69 Ų | 69 | 85.9 Ų | 85.9 | 48% | 0.483 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 177.1 | 179.5 | 0 | 0 | 0 | 0 | 111.4 | A95 R96 L97 V103 | A95-S99 PolarHBondContact O-N 3.31Å; A95-S99 VanDerWaalsContact O-N 3.13Å; R96-S99 PolarHBondContact O-N 3.24Å; L97-S99 VanDerWaalsContact C-N 3.33Å; L97-S99 PolarHBondContact O-N 3.03Å; S99-V103 WeakPolarHBondContact O-CG2 3.19Å; S99-V103 PolarHBondContact O-N 3.29Å |
| 100 | V | 93.8 | Very high | 92.6 | Very high | 90 Ų | 90 | 87.3 Ų | 87.3 | 55% | 0.545 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69 | -42.3 | 174.2 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | R96 L97 R98 E102 V103 L104 | R96-V100 WeakPolarHBondContact O-CG2 3.36Å; R96-V100 PolarHBondContact O-N 2.91Å; R96-V100 VanDerWaalsContact O-N 3.07Å; L97-V100 PolarHBondContact O-N 2.99Å; R98-V100 PolarHBondContact O-N 3.31Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 PolarHBondContact O-N 3.13Å; V100-V103 PolarHBondContact O-N 3.49Å; V100-L104 WeakPolarHBondContact O-CB 3.07Å; V100-L104 PolarHBondContact O-N 2.92Å |
| 101 | N | 93.4 | Very high | 92.8 | Very high | 15 Ų | 15 | 87.8 Ų | 87.8 | 8% | 0.08 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 176.8 | -72.9 | -20.7 | 0 | 0 | 0 | 112 | L97 R98 L104 R105 I117 E120 | L97-N101 WeakPolarHBondContact O-CB 3.47Å; L97-N101 VanDerWaalsContact O-CG 3.29Å; L97-N101 PolarHBondContact O-N 3.09Å; L97-N101 PolarHBondContact O-ND2 3.49Å; R98-N101 CarbonylContact O-C 3.58Å; R98-N101 PolarHBondContact O-N 3.3Å; R98-N101 VanDerWaalsContact O-N 3.14Å; N101-L104 PolarHBondContact O-N 3.48Å; N101-R105 WeakPolarHBondContact O-CG 3.43Å; N101-R105 PolarHBondContact O-N 3.2Å; N101-I117 HydrophobicContact CB-CG2 3.95Å; N101-E120 PolarHBondContact ND2-OE1 3.43Å |
| 102 | E | 92.8 | Very high | 93.1 | Very high | 122 Ų | 122 | 89.1 Ų | 89.1 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61 | -45 | 174.4 | -77.2 | 174.9 | -168.2 | 0 | 0 | 111.4 | R98 V100 L104 R105 V106 | R98-E102 WeakPolarHBondContact O-CB 3.1Å; R98-E102 WeakPolarHBondContact O-CG 3.46Å; R98-E102 PolarHBondContact O-N 2.89Å; V100-E102 VanDerWaalsContact C-N 3.33Å; V100-E102 PolarHBondContact O-N 3.13Å; E102-L104 VanDerWaalsContact C-N 3.32Å; E102-L104 PolarHBondContact O-N 2.93Å; E102-R105 PolarHBondContact O-N 3.49Å; E102-V106 PolarHBondContact O-N 3.47Å |
| 103 | V | 94.6 | Very high | 93.1 | Very high | 92 Ų | 92 | 88.6 Ų | 88.6 | 56% | 0.558 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.5 | -42 | 174.4 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | S99 V100 R105 V106 V107 | S99-V103 WeakPolarHBondContact O-CG2 3.19Å; S99-V103 PolarHBondContact O-N 3.29Å; V100-V103 PolarHBondContact O-N 3.49Å; V103-R105 VanDerWaalsContact C-N 3.33Å; V103-R105 PolarHBondContact O-N 2.86Å; V103-V106 PolarHBondContact O-N 3.43Å; V103-V107 WeakPolarHBondContact O-CG2 3Å; V103-V107 PolarHBondContact O-N 2.96Å |
| 104 | L | 94.1 | Very high | 93.1 | Very high | 48 Ų | 48 | 87.3 Ų | 87.3 | 25% | 0.251 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.2 | -37.6 | -180 | -171.4 | 55.8 | 0 | 0 | 0 | 112.1 | V100 N101 E102 V106 V107 E108 M115 I117 | V100-L104 WeakPolarHBondContact O-CB 3.07Å; V100-L104 PolarHBondContact O-N 2.92Å; N101-L104 PolarHBondContact O-N 3.48Å; E102-L104 VanDerWaalsContact C-N 3.32Å; E102-L104 PolarHBondContact O-N 2.93Å; L104-V106 VanDerWaalsContact C-N 3.35Å; L104-V106 PolarHBondContact O-N 3.48Å; L104-V107 PolarHBondContact O-N 3.37Å; L104-E108 WeakPolarHBondContact O-CB 3.27Å; L104-E108 PolarHBondContact O-N 3.05Å; L104-M115 HydrophobicContact CD1-CB 3.82Å; L104-M115 HydrophobicContact CD1-CG 3.51Å; L104-M115 HydrophobicContact CD1-SD 3.63Å; L104-M115 HydrophobicContact CD2-CB 4.09Å; L104-M115 HydrophobicContact CG-CB 3.74Å; L104-M115 HydrophobicContact CG-CG 3.96Å; L104-I117 HydrophobicContact CB-CD1 4.11Å; L104-I117 HydrophobicContact CD2-CD1 4.19Å; L104-I117 HydrophobicContact CD2-CG1 3.75Å; L104-I117 HydrophobicContact CG-CD1 3.88Å; L104-I117 HydrophobicContact CG-CG1 3.99Å |
| 105 | R | 93.6 | Very high | 93.2 | Very high | 144 Ų | 144 | 89.3 Ų | 89.3 | 54% | 0.543 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 172.9 | -72 | 174.7 | -177.8 | -174.2 | -0.3 | 112.3 | N101 E102 V103 V107 E108 E109 I117 | N101-R105 WeakPolarHBondContact O-CG 3.43Å; N101-R105 PolarHBondContact O-N 3.2Å; E102-R105 PolarHBondContact O-N 3.49Å; V103-R105 VanDerWaalsContact C-N 3.33Å; V103-R105 PolarHBondContact O-N 2.86Å; R105-V107 VanDerWaalsContact C-N 3.33Å; R105-E108 PolarHBondContact O-N 3.35Å; R105-E109 PolarHBondContact O-N 3.32Å; R105-I117 HydrophobicContact CB-CD1 4.35Å; R105-I117 HydrophobicContact CG-CD1 3.45Å; R105-I117 VanDerWaalsContact CG-CD1 3.45Å |
| 106 | V | 95 | Very high | 93.2 | Very high | 93 Ų | 93 | 94.4 Ų | 94.4 | 56% | 0.564 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.8 | -39.4 | 175.9 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | E102 V103 L104 F110 | E102-V106 PolarHBondContact O-N 3.47Å; V103-V106 PolarHBondContact O-N 3.43Å; L104-V106 VanDerWaalsContact C-N 3.35Å; L104-V106 PolarHBondContact O-N 3.48Å; V106-F110 WeakPolarHBondContact O-CB 3.07Å; V106-F110 PolarHBondContact O-N 2.98Å |
| 107 | V | 94.6 | Very high | 93 | Very high | 71 Ų | 71 | 88.9 Ų | 88.9 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.3 | -40 | 177.4 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | V103 L104 R105 F110 S111 | V103-V107 WeakPolarHBondContact O-CG2 3Å; V103-V107 PolarHBondContact O-N 2.96Å; L104-V107 PolarHBondContact O-N 3.37Å; R105-V107 VanDerWaalsContact C-N 3.33Å; V107-F110 PolarHBondContact O-N 2.83Å; V107-S111 VanDerWaalsContact O-CB 3.24Å; V107-S111 WeakPolarHBondContact O-CB 3.33Å; V107-S111 PolarHBondContact O-N 3.14Å; V107-S111 PolarHBondContact O-OG 3.45Å |
| 108 | E | 94.9 | Very high | 92.5 | Very high | 59 Ų | 59 | 92 Ų | 92 | 28% | 0.276 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 173.4 | 175.8 | 168.9 | -143.6 | 0 | 0 | 111 | L104 R105 F110 S111 G112 A114 M115 | L104-E108 WeakPolarHBondContact O-CB 3.27Å; L104-E108 PolarHBondContact O-N 3.05Å; R105-E108 PolarHBondContact O-N 3.35Å; E108-F110 PolarHBondContact O-N 2.63Å; E108-S111 PolarHBondContact O-N 3.24Å; E108-G112 WeakPolarHBondContact O-CA 3.45Å; E108-G112 PolarHBondContact O-N 2.89Å; E108-A114 VanDerWaalsContact OE1-CA 3.27Å; E108-A114 WeakPolarHBondContact OE1-CA 3.47Å; E108-M115 HydrophobicContact CB-CB 4.2Å; E108-M115 HydrophobicContact CB-CG 3.76Å; E108-M115 HydrophobicContact CG-CG 4.36Å; E108-M115 PolarHBondContact OE1-N 3.41Å |
| 109 | E | 94.6 | Very high | 91.9 | Very high | 168 Ų | 168 | 97.4 Ų | 97.4 | 79% | 0.785 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.1 | -44.3 | 176.4 | -175.9 | 178.9 | -178.6 | 0 | 0 | 112.1 | R105 | R105-E109 PolarHBondContact O-N 3.32Å |
| 110 | F | 95.2 | Very high | 91 | Very high | 191 Ų | 191 | 97.4 Ų | 97.4 | 84% | 0.838 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.7 | -39 | -178.5 | -176.6 | -99 | 0 | 0 | 0 | 113.5 | V106 V107 E108 | V106-F110 WeakPolarHBondContact O-CB 3.07Å; V106-F110 PolarHBondContact O-N 2.98Å; V107-F110 PolarHBondContact O-N 2.83Å; E108-F110 PolarHBondContact O-N 2.63Å |
| 111 | S | 94.2 | Very high | 90 | Very high | 56 Ų | 56 | 97.7 Ų | 97.7 | 39% | 0.392 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -85.3 | -22.4 | -175.9 | 65.4 | 0 | 0 | 0 | 0 | 113.4 | V107 E108 V113 | V107-S111 VanDerWaalsContact O-CB 3.24Å; V107-S111 WeakPolarHBondContact O-CB 3.33Å; V107-S111 PolarHBondContact O-N 3.14Å; V107-S111 PolarHBondContact O-OG 3.45Å; E108-S111 PolarHBondContact O-N 3.24Å; S111-V113 PolarHBondContact O-N 3.18Å; S111-V113 PolarHBondContact OG-N 3.35Å |
| 112 | G | 92.7 | Very high | 89 | Confident | 71 Ų | 71 | 100.2 Ų | 100.2 | 73% | 0.732 | 54% | 0.542 | S | S | * | . | trans | 67.2 | 8.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E108 | E108-G112 WeakPolarHBondContact O-CA 3.45Å; E108-G112 PolarHBondContact O-N 2.89Å | ||
| 113 | V | 92.9 | Very high | 87.9 | Confident | 84 Ų | 84 | 97.4 Ų | 97.4 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | trans | -96.2 | 120.6 | 177.5 | -176.5 | 0 | 0 | 0 | 0 | 108.1 | S111 M115 | S111-V113 PolarHBondContact O-N 3.18Å; S111-V113 PolarHBondContact OG-N 3.35Å; V113-M115 HydrophobicContact CB-CE 3.74Å; V113-M115 HydrophobicContact CG1-CE 3.4Å; V113-M115 WeakPolarHBondContact O-CE 3.48Å; V113-M115 PolarHBondContact O-N 3.07Å | ||
| 114 | A | 91.3 | Very high | 86.7 | Confident | 85 Ų | 85 | 96.3 Ų | 96.3 | 70% | 0.702 | 54% | 0.535 | S | S | * | . | trans | -59.5 | 126.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | E108 | E108-A114 VanDerWaalsContact OE1-CA 3.27Å; E108-A114 WeakPolarHBondContact OE1-CA 3.47Å | ||
| 115 | M | 91.2 | Very high | 85.5 | Confident | 63 Ų | 63 | 98.4 Ų | 98.4 | 31% | 0.31 | 55% | 0.546 | S | S | . | . | trans | -104.3 | 144.1 | 179.8 | -64.4 | -70.8 | 106.4 | 0 | 0 | 110.1 | L104 E108 V113 I117 | L104-M115 HydrophobicContact CD1-CB 3.82Å; L104-M115 HydrophobicContact CD1-CG 3.51Å; L104-M115 HydrophobicContact CD1-SD 3.63Å; L104-M115 HydrophobicContact CD2-CB 4.09Å; L104-M115 HydrophobicContact CG-CB 3.74Å; L104-M115 HydrophobicContact CG-CG 3.96Å; E108-M115 HydrophobicContact CB-CB 4.2Å; E108-M115 HydrophobicContact CB-CG 3.76Å; E108-M115 HydrophobicContact CG-CG 4.36Å; E108-M115 PolarHBondContact OE1-N 3.41Å; V113-M115 HydrophobicContact CB-CE 3.74Å; V113-M115 HydrophobicContact CG1-CE 3.4Å; V113-M115 WeakPolarHBondContact O-CE 3.48Å; V113-M115 PolarHBondContact O-N 3.07Å; M115-I117 HydrophobicContact CB-CD1 4.35Å; M115-I117 HydrophobicContact CB-CG1 4.11Å; M115-I117 PolarHBondContact O-N 3.42Å; M115-I117 VanDerWaalsContact O-N 3.13Å | ||
| 116 | D | 89.9 | Confident | 84.6 | Confident | 155 Ų | 155 | 93.7 Ų | 93.7 | 83% | 0.829 | 53% | 0.532 | S | S | * | . | trans | -81.1 | 91.8 | 177.6 | -174.8 | 16.2 | 0 | 0 | 0 | 110.4 | ||||
| 117 | I | 89.2 | Confident | 83.5 | Confident | 34 Ų | 34 | 94.1 Ų | 94.1 | 17% | 0.174 | 54% | 0.537 | C | S | . | . | trans | -107.7 | 113.5 | -178.1 | -49.3 | -175 | 0 | 0 | 0 | 109.2 | N101 L104 R105 M115 | N101-I117 HydrophobicContact CB-CG2 3.95Å; L104-I117 HydrophobicContact CB-CD1 4.11Å; L104-I117 HydrophobicContact CD2-CD1 4.19Å; L104-I117 HydrophobicContact CD2-CG1 3.75Å; L104-I117 HydrophobicContact CG-CD1 3.88Å; L104-I117 HydrophobicContact CG-CG1 3.99Å; R105-I117 HydrophobicContact CB-CD1 4.35Å; R105-I117 HydrophobicContact CG-CD1 3.45Å; R105-I117 VanDerWaalsContact CG-CD1 3.45Å; M115-I117 HydrophobicContact CB-CD1 4.35Å; M115-I117 HydrophobicContact CB-CG1 4.11Å; M115-I117 PolarHBondContact O-N 3.42Å; M115-I117 VanDerWaalsContact O-N 3.13Å | ||
| 118 | Q | 82.2 | Confident | 82.4 | Confident | 145 Ų | 145 | 97.3 Ų | 97.3 | 68% | 0.678 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 136.9 | 177.1 | -63.5 | -174.2 | -49.7 | 0 | 0 | 111.4 | ||
| 119 | E | 77.7 | Confident | 81.3 | Confident | 190 Ų | 190 | 96.2 Ų | 96.2 | 89% | 0.888 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 133.8 | 169.5 | -73.2 | -163.7 | 162.8 | 0 | 0 | 110.8 | ||
| 120 | E | 72.9 | Confident | 80.3 | Confident | 69 Ų | 69 | 95.2 Ų | 95.2 | 32% | 0.322 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -93.2 | 134.3 | -177.7 | -62.7 | -175.9 | -160.5 | 0 | 0 | 111.7 | R98 N101 | R98-E120 WeakPolarHBondContact CA-OE1 3.39Å; R98-E120 WeakPolarHBondContact CB-OE1 3.42Å; R98-E120 WeakPolarHBondContact CD-OE2 3.45Å; R98-E120 WeakPolarHBondContact CG-OE1 3.33Å; R98-E120 WeakPolarHBondContact CG-OE2 3.35Å; R98-E120 IonicContact CZ-OE2 3.05Å; R98-E120 PolarHBondContact N-OE1 3.39Å; R98-E120 IonicContact NE-OE2 3.35Å; R98-E120 IonicContact NH1-OE2 3.92Å; R98-E120 PolarHBondContact NH1-OE2 3.37Å; N101-E120 PolarHBondContact ND2-OE1 3.43Å |
| 121 | V | 73.6 | Confident | 79.2 | Confident | 97 Ų | 97 | 90.2 Ų | 90.2 | 59% | 0.588 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 127.6 | 166.3 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | D125 | V121-D125 HydrophobicContact CG1-CB 4.04Š|
| 122 | P | 71.5 | Confident | 78.1 | Confident | 68 Ų | 68 | 98 Ų | 98 | 44% | 0.442 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 140.4 | 175 | -25.9 | 34.4 | 0 | 0 | 0 | 111.4 | A124 D125 D126 | P122-A124 PolarHBondContact O-N 3.31Å; P122-D125 PolarHBondContact O-N 2.97Å; P122-D126 PolarHBondContact O-N 3.45Å |
| 123 | P | 70 | Confident | 77.1 | Confident | 62 Ų | 62 | 103.5 Ų | 103.5 | 40% | 0.403 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -29.3 | -179 | -25.4 | 32.5 | 0 | 0 | 0 | 114.1 | D125 D126 L129 | P123-D125 PolarHBondContact O-N 2.92Å; P123-D126 PolarHBondContact O-N 3.37Å; P123-L129 HydrophobicContact CB-CD1 4.01Å |
| 124 | A | 69.1 | Low | 75.8 | Confident | 70 Ų | 70 | 106 Ų | 106 | 58% | 0.579 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -26.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P122 R130 | P122-A124 PolarHBondContact O-N 3.31Å; A124-R130 PolarHBondContact O-NE 2.75Å; A124-R130 VanDerWaalsContact O-NE 3.08Å; A124-R130 PolarHBondContact O-NH2 3.48Å |
| 125 | D | 70.1 | Confident | 74.6 | Confident | 92 Ų | 92 | 106.7 Ų | 106.7 | 49% | 0.492 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.1 | -4.2 | -176.7 | -61.8 | -40.4 | 0 | 0 | 0 | 112.5 | V121 P122 P123 P127 R130 | V121-D125 HydrophobicContact CG1-CB 4.04Å; P122-D125 PolarHBondContact O-N 2.97Å; P123-D125 PolarHBondContact O-N 2.92Å; D125-P127 WeakPolarHBondContact O-CD 3.24Å; D125-R130 IonicContact OD1-NH2 3.67Å |
| 126 | D | 74.2 | Confident | 72.7 | Confident | 44 Ų | 44 | 109.1 Ų | 109.1 | 24% | 0.235 | 58% | 0.579 | C | S | . | * | trans | -72.8 | 111.4 | 172.8 | -172 | -12.3 | 0 | 0 | 0 | 110.1 | P122 P123 L128 L129 | P122-D126 PolarHBondContact O-N 3.45Å; P123-D126 PolarHBondContact O-N 3.37Å; D126-L128 PolarHBondContact O-N 3.13Å; D126-L128 VanDerWaalsContact O-N 3.16Å; D126-L128 VanDerWaalsContact OD1-CB 3.25Å; D126-L128 WeakPolarHBondContact OD1-CB 3.43Å; D126-L128 WeakPolarHBondContact OD1-CG 3.45Å; D126-L128 PolarHBondContact OD1-N 3.25Å; D126-L129 HydrophobicContact CB-CB 4.3Å; D126-L129 HydrophobicContact CB-CD1 3.98Å; D126-L129 HydrophobicContact CB-CG 3.97Å; D126-L129 PolarHBondContact O-N 3.25Å; D126-L129 VanDerWaalsContact O-N 3.1Å | ||
| 127 | P | 71.7 | Confident | 71.3 | Confident | 103 Ų | 103 | 111.2 Ų | 111.2 | 67% | 0.669 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -23.5 | 178.8 | 27.1 | -35.4 | 0 | 0 | 0 | 112.7 | D125 L129 | D125-P127 WeakPolarHBondContact O-CD 3.24Å; P127-L129 VanDerWaalsContact C-N 3.29Å; P127-L129 PolarHBondContact O-N 2.77Å |
| 128 | L | 71.2 | Confident | 69.5 | Low | 138 Ų | 138 | 114.2 Ų | 114.2 | 72% | 0.723 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -24.1 | 179.1 | -56.6 | 178.2 | 0 | 0 | 0 | 112.3 | D126 | D126-L128 PolarHBondContact O-N 3.13Å; D126-L128 VanDerWaalsContact O-N 3.16Å; D126-L128 VanDerWaalsContact OD1-CB 3.25Å; D126-L128 WeakPolarHBondContact OD1-CB 3.43Å; D126-L128 WeakPolarHBondContact OD1-CG 3.45Å; D126-L128 PolarHBondContact OD1-N 3.25Å |
| 129 | L | 71.4 | Confident | 68.1 | Low | 36 Ų | 36 | 112.6 Ų | 112.6 | 19% | 0.188 | 61% | 0.61 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -89.5 | -12.3 | -178.5 | -63 | -177.6 | 0 | 0 | 0 | 113.5 | R87 A90 P123 D126 P127 | R87-L129 HydrophobicContact CB-CD2 3.87Å; R87-L129 WeakPolarHBondContact CD-O 3.39Å; R87-L129 HydrophobicContact CG-CD2 4.03Å; A90-L129 HydrophobicContact CB-CD2 3.98Å; P123-L129 HydrophobicContact CB-CD1 4.01Å; D126-L129 HydrophobicContact CB-CB 4.3Å; D126-L129 HydrophobicContact CB-CD1 3.98Å; D126-L129 HydrophobicContact CB-CG 3.97Å; D126-L129 PolarHBondContact O-N 3.25Å; D126-L129 VanDerWaalsContact O-N 3.1Å; P127-L129 VanDerWaalsContact C-N 3.29Å; P127-L129 PolarHBondContact O-N 2.77Å |
| 130 | R | 73.3 | Confident | 66.7 | Low | 147 Ų | 147 | 107.4 Ų | 107.4 | 56% | 0.555 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -80.7 | 128.9 | 177.3 | -65.3 | -174.6 | -178.8 | -179.4 | 3 | 110.7 | A124 D125 | A124-R130 PolarHBondContact O-NE 2.75Å; A124-R130 VanDerWaalsContact O-NE 3.08Å; A124-R130 PolarHBondContact O-NH2 3.48Å; D125-R130 IonicContact OD1-NH2 3.67Å |
| 131 | P | 72.9 | Confident | 65.3 | Low | 86 Ų | 86 | 108 Ų | 108 | 56% | 0.558 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 141.6 | 166 | -22.3 | 33.8 | 0 | 0 | 0 | 110.7 | Q133 | P131-Q133 PolarHBondContact O-N 2.91Š|
| 132 | W | 70.5 | Confident | 63.9 | Low | 218 Ų | 218 | 112 Ų | 112 | 83% | 0.826 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 121.6 | 173.1 | -78.5 | 88.8 | 0 | 0 | 0 | 109.4 | L134 | W132-L134 PolarHBondContact O-N 3.24Å; W132-L134 VanDerWaalsContact O-N 3.15Å |
| 133 | Q | 73.2 | Confident | 62.8 | Low | 187 Ų | 187 | 113.8 Ų | 113.8 | 87% | 0.874 | 64% | 0.642 | S | S | * | * | trans | -82 | 90.8 | 172.4 | -65.9 | -179 | -6.3 | 0 | 0 | 108.2 | P131 | P131-Q133 PolarHBondContact O-N 2.91Š| ||
| 134 | L | 65.8 | Low | 61.9 | Low | 136 Ų | 136 | 119.2 Ų | 119.2 | 71% | 0.712 | 67% | 0.666 | S | S | * | * | trans | -59.5 | 132.7 | 165.2 | -75.6 | 165.5 | 0 | 0 | 0 | 107.6 | W132 C136 | W132-L134 PolarHBondContact O-N 3.24Å; W132-L134 VanDerWaalsContact O-N 3.15Å; L134-C136 VanDerWaalsContact C-N 3.27Å; L134-C136 PolarHBondContact O-N 2.85Å | ||
| 135 | P | 66.2 | Low | 60.9 | Low | 101 Ų | 101 | 118.4 Ų | 118.4 | 66% | 0.656 | 66% | 0.664 | S | S | * | * | trans | -55.8 | 99.9 | 165.1 | -21.9 | 32.8 | 0 | 0 | 0 | 107.3 | Y137 | P135-Y137 HydrophobicContact CB-CD2 4.38Å; P135-Y137 HydrophobicContact CB-CE2 4.15Å; P135-Y137 PolarHBondContact O-N 3.5Å | ||
| 136 | C | 51 | Low | 59.6 | Low | 114 Ų | 114 | 117.3 Ų | 117.3 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | trans | -68.8 | 89.7 | 169.4 | -173.7 | 0 | 0 | 0 | 0 | 104.8 | L134 P138 | L134-C136 VanDerWaalsContact C-N 3.27Å; L134-C136 PolarHBondContact O-N 2.85Å; C136-P138 VanDerWaalsContact O-CD 3.27Å; C136-P138 WeakPolarHBondContact O-CD 3.45Å; C136-P138 VanDerWaalsContact O-N 3.15Å | ||
| 137 | Y | 60 | Low | 58.6 | Low | 198 Ų | 198 | 121.2 Ų | 121.2 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | trans | -61.2 | 115.9 | 160.7 | -78.6 | -81.4 | 0 | 0 | 0 | 104.9 | P135 A139 | P135-Y137 HydrophobicContact CB-CD2 4.38Å; P135-Y137 HydrophobicContact CB-CE2 4.15Å; P135-Y137 PolarHBondContact O-N 3.5Å; Y137-A139 PolarHBondContact O-N 3.45Å; Y137-A139 VanDerWaalsContact O-N 3.11Å | ||
| 138 | P | 50.6 | Low | 57.3 | Low | 98 Ų | 98 | 124.4 Ų | 124.4 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | trans | -56.5 | 128.3 | 179.4 | 22.9 | -31.5 | 0 | 0 | 0 | 107 | C136 A140 | C136-P138 VanDerWaalsContact O-CD 3.27Å; C136-P138 WeakPolarHBondContact O-CD 3.45Å; C136-P138 VanDerWaalsContact O-N 3.15Å; P138-A140 HydrophobicContact CB-CB 4.11Å; P138-A140 PolarHBondContact O-N 3.36Å | ||
| 139 | A | 54.1 | Low | 56 | Low | 110 Ų | 110 | 126 Ų | 126 | 91% | 0.909 | 71% | 0.707 | S | S | * | * | trans | -66.1 | 25.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y137 A141 | Y137-A139 PolarHBondContact O-N 3.45Å; Y137-A139 VanDerWaalsContact O-N 3.11Å; A139-A141 VanDerWaalsContact C-N 3.33Å; A139-A141 PolarHBondContact O-N 3.03Å | ||
| 140 | A | 47.7 | Very low | 55 | Low | 81 Ų | 81 | 132.2 Ų | 132.2 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | trans | -68.5 | 93.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | P138 | P138-A140 HydrophobicContact CB-CB 4.11Å; P138-A140 PolarHBondContact O-N 3.36Å | ||
| 141 | A | 44.6 | Very low | 53.2 | Low | 81 Ų | 81 | 135.7 Ų | 135.7 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | trans | 56.3 | 72.5 | 146 | 0 | 0 | 0 | 0 | 0 | 115.6 | A139 P143 | A139-A141 VanDerWaalsContact C-N 3.33Å; A139-A141 PolarHBondContact O-N 3.03Å; A141-P143 VanDerWaalsContact C-CD 3.48Å; A141-P143 WeakPolarHBondContact O-CD 3.41Å | ||
| 142 | M | 43.5 | Very low | 52.2 | Low | 181 Ų | 181 | 146.2 Ų | 146.2 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | -81.6 | 99.4 | 132.6 | -73.2 | -102.9 | -94 | 0 | 0 | 105.3 | I144 | M142-I144 PolarHBondContact O-N 3.02Š| ||
| 143 | P | 47 | Very low | 51.3 | Low | 107 Ų | 107 | 142.7 Ų | 142.7 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -56.7 | 122.4 | 160.8 | 26.7 | -30.4 | 0 | 0 | 0 | 104.3 | A141 G145 | A141-P143 VanDerWaalsContact C-CD 3.48Å; A141-P143 WeakPolarHBondContact O-CD 3.41Å; P143-G145 PolarHBondContact O-N 3.43Å | ||
| 144 | I | 52.9 | Low | 50.1 | Low | 176 Ų | 176 | 140.3 Ų | 140.3 | 90% | 0.903 | 78% | 0.777 | S | S | * | * | trans | -65.5 | 84.4 | 159.3 | -62.7 | 174.9 | 0 | 0 | 0 | 103.3 | M142 A146 | M142-I144 PolarHBondContact O-N 3.02Å; I144-A146 PolarHBondContact O-N 2.84Å | ||
| 145 | G | 46.9 | Very low | 49.2 | Very low | 52 Ų | 52 | 140.6 Ų | 140.6 | 54% | 0.536 | 78% | 0.78 | S | S | . | * | trans | -66.7 | 122.6 | -165.5 | 0 | 0 | 0 | 0 | 0 | 109 | P143 | P143-G145 PolarHBondContact O-N 3.43Š| ||
| 146 | A | 44.1 | Very low | 48.3 | Very low | 70 Ų | 70 | 142.9 Ų | 142.9 | 58% | 0.579 | 79% | 0.788 | S | S | * | * | trans | 23.8 | 128.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | I144 H148 | I144-A146 PolarHBondContact O-N 2.84Å; A146-H148 PolarHBondContact O-N 3.22Å; A146-H148 PolarHBondContact O-ND1 3.48Å | ||
| 147 | P | 51.9 | Low | 48.1 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -56.9 | 114.3 | 174.5 | 26.9 | -33.1 | 0 | 0 | 0 | 108.7 | M149 | P147-M149 VanDerWaalsContact C-N 3.3Å; P147-M149 PolarHBondContact O-N 3.2Å | ||
| 148 | H | 45.4 | Very low | 47.3 | Very low | 169 Ų | 169 | 141.1 Ų | 141.1 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | trans | -64.4 | 98.9 | 170.4 | -67.2 | -14.3 | 0 | 0 | 0 | 107.4 | A146 L150 | A146-H148 PolarHBondContact O-N 3.22Å; A146-H148 PolarHBondContact O-ND1 3.48Å; H148-L150 VanDerWaalsContact C-N 3.26Å; H148-L150 PolarHBondContact O-N 3.04Å | ||
| 149 | M | 42.5 | Very low | 47 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | trans | -54.1 | 90.9 | 162.5 | -83.4 | -110.7 | -96 | 0 | 0 | 108.6 | P147 R151 | P147-M149 VanDerWaalsContact C-N 3.3Å; P147-M149 PolarHBondContact O-N 3.2Å; M149-R151 PolarHBondContact O-N 3.26Å | ||
| 150 | L | 51.3 | Low | 46.5 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | trans | -69.5 | 89.3 | 160.1 | -84.1 | 157.4 | 0 | 0 | 0 | 107.1 | H148 Y152 | H148-L150 VanDerWaalsContact C-N 3.26Å; H148-L150 PolarHBondContact O-N 3.04Å; L150-Y152 PolarHBondContact O-N 3.24Å | ||
| 151 | R | 35.4 | Very low | 46.4 | Very low | 220 Ų | 220 | 152.3 Ų | 152.3 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | trans | -55.7 | 118.7 | 155.8 | -76 | -177.9 | 164.5 | -146.8 | -2.3 | 108.1 | M149 | M149-R151 PolarHBondContact O-N 3.26Š| ||
| 152 | Y | 51.5 | Low | 46.6 | Very low | 308 Ų | 308 | 158.8 Ų | 158.8 | 100% | 1.208 | 81% | 0.814 | S | S | * | * | trans | -159.1 | 0 | 136.7 | -87.8 | -67.6 | 0 | 0 | 0 | 109 | L150 | L150-Y152 PolarHBondContact O-N 3.24Š|
Retrieved 152 of 152 residues in 78.7 ms
(Link to these results)