| 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 | 37 | Very low | 41.4 | Very low | 243 Ų | 243 | 141.8 Ų | 141.8 | 100% | 1.197 | 81% | 0.809 | S | S | * | * | 0 | 115.4 | 0 | -66.9 | 171.4 | 175.9 | 0 | 0 | 106.7 | |||||
| 2 | S | 37 | Very low | 41.4 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | cis | -143.6 | 160.3 | -3.2 | -67.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 3 | S | 36.6 | Very low | 41.7 | Very low | 101 Ų | 101 | 134.2 Ų | 134.2 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | -123.8 | 166.7 | -168.1 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 4 | L | 43.2 | Very low | 42.5 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | trans | 75.7 | 153.2 | 174.2 | -41.7 | 170.9 | 0 | 0 | 0 | 113 | ||||
| 5 | F | 40.3 | Very low | 42.5 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | cis | -156.5 | 151.3 | 16.3 | -121.4 | -43.7 | 0 | 0 | 0 | 112.2 | ||||
| 6 | F | 38 | Very low | 43.1 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | 60.8 | 158.3 | 163.5 | -72 | -76.7 | 0 | 0 | 0 | 118.2 | ||||
| 7 | C | 34.7 | Very low | 43.5 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | cis | -136.8 | 152.1 | 2.2 | -157.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 8 | E | 43.3 | Very low | 43.9 | Very low | 173 Ų | 173 | 123.1 Ų | 123.1 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 132.8 | 175 | -177.8 | 178.3 | 167.2 | 0 | 0 | 110.1 | ||
| 9 | P | 47.4 | Very low | 44.3 | Very low | 106 Ų | 106 | 119.1 Ų | 119.1 | 69% | 0.688 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 145.9 | 171.8 | 33.8 | -32.5 | 0 | 0 | 0 | 111 | ||
| 10 | P | 46.6 | Very low | 44.8 | Very low | 124 Ų | 124 | 116.1 Ų | 116.1 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -72 | 151 | -173.7 | 30.1 | -36.1 | 0 | 0 | 0 | 113.1 | G12 | P10-G12 PolarHBondContact O-N 2.76Š|
| 11 | A | 50.7 | Low | 45.3 | Very low | 110 Ų | 110 | 114.9 Ų | 114.9 | 91% | 0.909 | 72% | 0.721 | S | S | * | * | trans | -64.9 | 104.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 12 | G | 41.8 | Very low | 46.5 | Very low | 58 Ų | 58 | 107.3 Ų | 107.3 | 60% | 0.598 | 69% | 0.689 | S | S | * | * | trans | -70 | 158.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112 | P10 | P10-G12 PolarHBondContact O-N 2.76Š| ||
| 13 | P | 45.5 | Very low | 47.8 | Very low | 127 Ų | 127 | 104.2 Ų | 104.2 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | trans | -64.3 | 139.8 | -179 | 27.4 | -34.8 | 0 | 0 | 0 | 111.7 | C15 | P13-C15 PolarHBondContact O-N 2.91Š| ||
| 14 | V | 52.3 | Low | 49.1 | Very low | 134 Ų | 134 | 101.4 Ų | 101.4 | 81% | 0.812 | 65% | 0.65 | S | S | * | * | trans | -66.7 | 101.6 | 178.3 | 177 | 0 | 0 | 0 | 0 | 109.8 | S16 | V14-S16 WeakPolarHBondContact CG1-OG 3.47Š| ||
| 15 | C | 43 | Very low | 50.1 | Low | 106 Ų | 106 | 100.2 Ų | 100.2 | 72% | 0.716 | 64% | 0.643 | S | S | * | * | trans | -105.8 | 71.8 | -179.9 | -160.8 | 0 | 0 | 0 | 0 | 110.9 | P13 G17 | P13-C15 PolarHBondContact O-N 2.91Å; C15-G17 PolarHBondContact O-N 3.31Å | ||
| 16 | S | 51.5 | Low | 51.5 | Low | 101 Ų | 101 | 102.1 Ų | 102.1 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -2.3 | -171.1 | -56.5 | 0 | 0 | 0 | 0 | 116.3 | V14 | V14-S16 WeakPolarHBondContact CG1-OG 3.47Š|
| 17 | G | 50.9 | Low | 53.1 | Low | 47 Ų | 47 | 99 Ų | 99 | 49% | 0.485 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.3 | -37 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C15 A20 V21 | C15-G17 PolarHBondContact O-N 3.31Å; G17-A20 PolarHBondContact O-N 2.94Å; G17-V21 PolarHBondContact O-N 3.12Å |
| 18 | S | 50.5 | Low | 55 | Low | 82 Ų | 82 | 97.8 Ų | 97.8 | 57% | 0.573 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.9 | -34.4 | -166 | -170 | 0 | 0 | 0 | 0 | 114 | A20 T22 | S18-A20 VanDerWaalsContact C-N 3.34Å; S18-A20 PolarHBondContact O-N 3.11Å; S18-T22 PolarHBondContact O-N 2.79Å; S18-T22 VanDerWaalsContact O-N 3.14Å; S18-T22 PolarHBondContact O-OG1 3.09Å |
| 19 | G | 51.8 | Low | 56.4 | Low | 48 Ų | 48 | 95.1 Ų | 95.1 | 50% | 0.495 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.4 | -31.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T22 S23 | G19-T22 PolarHBondContact O-OG1 3.46Å; G19-S23 WeakPolarHBondContact O-CB 3.44Å; G19-S23 PolarHBondContact O-N 3.43Å; G19-S23 VanDerWaalsContact O-N 3.1Å; G19-S23 PolarHBondContact O-OG 3.27Å |
| 20 | A | 54.6 | Low | 57.7 | Low | 58 Ų | 58 | 91.9 Ų | 91.9 | 48% | 0.479 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -69 | -48.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G17 S18 T22 S23 A24 | G17-A20 PolarHBondContact O-N 2.94Å; S18-A20 VanDerWaalsContact C-N 3.34Å; S18-A20 PolarHBondContact O-N 3.11Å; A20-T22 PolarHBondContact O-N 3.31Å; A20-S23 PolarHBondContact O-N 2.98Å; A20-S23 PolarHBondContact O-OG 3.39Å; A20-S23 VanDerWaalsContact O-OG 3.04Å; A20-A24 VanDerWaalsContact O-CB 3.31Å; A20-A24 WeakPolarHBondContact O-CB 3.42Å; A20-A24 PolarHBondContact O-N 3.25Å |
| 21 | V | 53.9 | Low | 59.2 | Low | 91 Ų | 91 | 89.1 Ų | 89.1 | 55% | 0.552 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.8 | -41.6 | 179.4 | -180 | 0 | 0 | 0 | 0 | 111.6 | G17 S23 A24 L25 | G17-V21 PolarHBondContact O-N 3.12Å; V21-S23 PolarHBondContact O-N 3.35Å; V21-A24 PolarHBondContact O-N 2.97Å; V21-L25 HydrophobicContact CG1-CD1 4.03Å; V21-L25 HydrophobicContact CG1-CG 4.5Å; V21-L25 WeakPolarHBondContact O-CB 3.42Å; V21-L25 WeakPolarHBondContact O-CG 3.48Å; V21-L25 PolarHBondContact O-N 3.16Å |
| 22 | T | 64 | Low | 60.7 | Low | 85 Ų | 85 | 88.4 Ų | 88.4 | 52% | 0.521 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -74.8 | -21.6 | 179.9 | 51 | 0 | 0 | 0 | 0 | 114.1 | S18 G19 A20 R26 | S18-T22 PolarHBondContact O-N 2.79Å; S18-T22 VanDerWaalsContact O-N 3.14Å; S18-T22 PolarHBondContact O-OG1 3.09Å; G19-T22 PolarHBondContact O-OG1 3.46Å; A20-T22 PolarHBondContact O-N 3.31Å; T22-R26 WeakPolarHBondContact O-CB 3.29Å |
| 23 | S | 64 | Low | 62.8 | Low | 55 Ų | 55 | 89.4 Ų | 89.4 | 39% | 0.385 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -84.6 | -37.6 | 169.7 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | G19 A20 V21 R26 N27 | G19-S23 WeakPolarHBondContact O-CB 3.44Å; G19-S23 PolarHBondContact O-N 3.43Å; G19-S23 VanDerWaalsContact O-N 3.1Å; G19-S23 PolarHBondContact O-OG 3.27Å; A20-S23 PolarHBondContact O-N 2.98Å; A20-S23 PolarHBondContact O-OG 3.39Å; A20-S23 VanDerWaalsContact O-OG 3.04Å; V21-S23 PolarHBondContact O-N 3.35Å; S23-R26 WeakPolarHBondContact O-CB 3.3Å; S23-R26 PolarHBondContact O-N 3.49Å; S23-N27 VanDerWaalsContact O-CG 3.22Å; S23-N27 PolarHBondContact O-N 3.39Å; S23-N27 PolarHBondContact O-ND2 3.01Å |
| 24 | A | 63.1 | Low | 64.7 | Low | 43 Ų | 43 | 89.2 Ų | 89.2 | 36% | 0.355 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -56.8 | -55.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A20 V21 R26 N27 D28 | A20-A24 VanDerWaalsContact O-CB 3.31Å; A20-A24 WeakPolarHBondContact O-CB 3.42Å; A20-A24 PolarHBondContact O-N 3.25Å; V21-A24 PolarHBondContact O-N 2.97Å; A24-R26 PolarHBondContact O-N 2.98Å; A24-R26 VanDerWaalsContact O-N 3.12Å; A24-N27 CarbonylContact O-C 3.55Å; A24-N27 WeakPolarHBondContact O-CA 3.3Å; A24-N27 WeakPolarHBondContact O-CB 3.48Å; A24-N27 PolarHBondContact O-N 3.4Å; A24-D28 PolarHBondContact O-N 3.35Å |
| 25 | L | 63.9 | Low | 66.4 | Low | 111 Ų | 111 | 86.6 Ų | 86.6 | 58% | 0.581 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.3 | -30.5 | 177 | -70.4 | 171.7 | 0 | 0 | 0 | 113.3 | V21 L29 | V21-L25 HydrophobicContact CG1-CD1 4.03Å; V21-L25 HydrophobicContact CG1-CG 4.5Å; V21-L25 WeakPolarHBondContact O-CB 3.42Å; V21-L25 WeakPolarHBondContact O-CG 3.48Å; V21-L25 PolarHBondContact O-N 3.16Å; L25-L29 VanDerWaalsContact O-CB 3.27Å; L25-L29 WeakPolarHBondContact O-CB 3.48Å; L25-L29 PolarHBondContact O-N 3.05Å |
| 26 | R | 70.7 | Confident | 68.8 | Low | 196 Ų | 196 | 86.3 Ų | 86.3 | 74% | 0.74 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.6 | -40.1 | 173.7 | -179.9 | 179.7 | -66.3 | -133.9 | -1.6 | 111.8 | T22 S23 A24 G30 | T22-R26 WeakPolarHBondContact O-CB 3.29Å; S23-R26 WeakPolarHBondContact O-CB 3.3Å; S23-R26 PolarHBondContact O-N 3.49Å; A24-R26 PolarHBondContact O-N 2.98Å; A24-R26 VanDerWaalsContact O-N 3.12Å; R26-G30 PolarHBondContact O-N 2.91Å |
| 27 | N | 70 | Confident | 70.5 | Confident | 112 Ų | 112 | 88.1 Ų | 88.1 | 60% | 0.599 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.7 | -42.4 | 176.6 | -67.2 | -16.4 | 0 | 0 | 0 | 110.9 | S23 A24 G30 S31 | S23-N27 VanDerWaalsContact O-CG 3.22Å; S23-N27 PolarHBondContact O-N 3.39Å; S23-N27 PolarHBondContact O-ND2 3.01Å; A24-N27 CarbonylContact O-C 3.55Å; A24-N27 WeakPolarHBondContact O-CA 3.3Å; A24-N27 WeakPolarHBondContact O-CB 3.48Å; A24-N27 PolarHBondContact O-N 3.4Å; N27-G30 CarbonylContact O-C 3.56Å; N27-G30 WeakPolarHBondContact O-CA 3.16Å; N27-G30 PolarHBondContact O-N 2.97Å; N27-S31 WeakPolarHBondContact O-CB 3.35Å; N27-S31 PolarHBondContact O-N 2.7Å |
| 28 | D | 75.6 | Confident | 72.2 | Confident | 87 Ų | 87 | 88.3 Ų | 88.3 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -43 | 176.2 | -64.4 | -29.9 | 0 | 0 | 0 | 111.6 | A24 G30 S31 N32 | A24-D28 PolarHBondContact O-N 3.35Å; D28-G30 VanDerWaalsContact C-N 3.32Å; D28-G30 PolarHBondContact O-N 3.4Å; D28-S31 PolarHBondContact O-N 3.49Å; D28-N32 WeakPolarHBondContact O-CB 3.47Å; D28-N32 PolarHBondContact O-N 3.23Å; D28-N32 PolarHBondContact O-ND2 3.05Å |
| 29 | L | 73.1 | Confident | 74.1 | Confident | 116 Ų | 116 | 88.3 Ų | 88.3 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.5 | -38.7 | 174.1 | -163.2 | 73.3 | 0 | 0 | 0 | 111.2 | L25 I33 | L25-L29 VanDerWaalsContact O-CB 3.27Å; L25-L29 WeakPolarHBondContact O-CB 3.48Å; L25-L29 PolarHBondContact O-N 3.05Å; L29-I33 HydrophobicContact CG-CD1 4.22Å; L29-I33 WeakPolarHBondContact O-CB 3.47Å; L29-I33 WeakPolarHBondContact O-CD1 3.32Å; L29-I33 WeakPolarHBondContact O-CG1 3.47Å; L29-I33 PolarHBondContact O-N 2.85Å |
| 30 | G | 75.2 | Confident | 75.9 | Confident | 38 Ų | 38 | 91 Ų | 91 | 39% | 0.392 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R26 N27 D28 I33 H34 | R26-G30 PolarHBondContact O-N 2.91Å; N27-G30 CarbonylContact O-C 3.56Å; N27-G30 WeakPolarHBondContact O-CA 3.16Å; N27-G30 PolarHBondContact O-N 2.97Å; D28-G30 VanDerWaalsContact C-N 3.32Å; D28-G30 PolarHBondContact O-N 3.4Å; G30-I33 PolarHBondContact O-N 3.08Å; G30-H34 PolarHBondContact O-N 3.46Å |
| 31 | S | 78 | Confident | 77.6 | Confident | 67 Ų | 67 | 92.8 Ų | 92.8 | 47% | 0.469 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -50.9 | 176 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | N27 D28 I33 H34 V35 | N27-S31 WeakPolarHBondContact O-CB 3.35Å; N27-S31 PolarHBondContact O-N 2.7Å; D28-S31 PolarHBondContact O-N 3.49Å; S31-I33 VanDerWaalsContact C-N 3.31Å; S31-I33 PolarHBondContact O-N 2.95Å; S31-H34 CarbonylContact O-C 3.56Å; S31-H34 WeakPolarHBondContact O-CA 3.4Å; S31-H34 WeakPolarHBondContact O-CB 3.22Å; S31-H34 PolarHBondContact O-N 3.02Å; S31-V35 WeakPolarHBondContact O-CG2 3.3Å; S31-V35 PolarHBondContact O-N 2.91Å |
| 32 | N | 82.3 | Confident | 79.1 | Confident | 94 Ų | 94 | 96.1 Ų | 96.1 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57 | -42.2 | 174.5 | -81.7 | -76.8 | 0 | 0 | 0 | 112.1 | D28 H34 V35 L36 | D28-N32 WeakPolarHBondContact O-CB 3.47Å; D28-N32 PolarHBondContact O-N 3.23Å; D28-N32 PolarHBondContact O-ND2 3.05Å; N32-H34 VanDerWaalsContact C-N 3.32Å; N32-H34 PolarHBondContact O-N 3.4Å; N32-V35 PolarHBondContact O-N 2.98Å; N32-L36 WeakPolarHBondContact O-CB 3.33Å; N32-L36 WeakPolarHBondContact O-CD1 3.02Å; N32-L36 PolarHBondContact O-N 2.94Å |
| 33 | I | 85.4 | Confident | 80.6 | Confident | 79 Ų | 79 | 97.6 Ų | 97.6 | 41% | 0.405 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -36.5 | 173.8 | -72.8 | 165.5 | 0 | 0 | 0 | 111.7 | L29 G30 S31 K37 | L29-I33 HydrophobicContact CG-CD1 4.22Å; L29-I33 WeakPolarHBondContact O-CB 3.47Å; L29-I33 WeakPolarHBondContact O-CD1 3.32Å; L29-I33 WeakPolarHBondContact O-CG1 3.47Å; L29-I33 PolarHBondContact O-N 2.85Å; G30-I33 PolarHBondContact O-N 3.08Å; S31-I33 VanDerWaalsContact C-N 3.31Å; S31-I33 PolarHBondContact O-N 2.95Å; I33-K37 HydrophobicContact CG2-CD 4.05Å; I33-K37 WeakPolarHBondContact O-CB 3.36Å; I33-K37 WeakPolarHBondContact O-CD 3.45Å; I33-K37 WeakPolarHBondContact O-CG 3.39Å; I33-K37 PolarHBondContact O-N 3.12Å; I33-K37 VanDerWaalsContact O-N 3.07Å |
| 34 | H | 86 | Confident | 81.8 | Confident | 123 Ų | 123 | 103.3 Ų | 103.3 | 57% | 0.569 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.6 | -44.2 | 175.3 | -173.5 | 85.4 | 0 | 0 | 0 | 111.9 | G30 S31 N32 K37 T38 | G30-H34 PolarHBondContact O-N 3.46Å; S31-H34 CarbonylContact O-C 3.56Å; S31-H34 WeakPolarHBondContact O-CA 3.4Å; S31-H34 WeakPolarHBondContact O-CB 3.22Å; S31-H34 PolarHBondContact O-N 3.02Å; N32-H34 VanDerWaalsContact C-N 3.32Å; N32-H34 PolarHBondContact O-N 3.4Å; H34-K37 PolarHBondContact O-N 3.3Å; H34-T38 WeakPolarHBondContact O-CB 3.35Å; H34-T38 PolarHBondContact O-N 3.21Å; H34-T38 PolarHBondContact O-OG1 3.12Å |
| 35 | V | 88 | Confident | 82.8 | Confident | 80 Ų | 80 | 104.6 Ų | 104.6 | 49% | 0.485 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 174.1 | 173 | 0 | 0 | 0 | 0 | 110.5 | S31 N32 K37 T38 L39 | S31-V35 WeakPolarHBondContact O-CG2 3.3Å; S31-V35 PolarHBondContact O-N 2.91Å; N32-V35 PolarHBondContact O-N 2.98Å; V35-K37 VanDerWaalsContact C-N 3.32Å; V35-K37 PolarHBondContact O-N 3.49Å; V35-T38 PolarHBondContact O-N 2.9Å; V35-L39 VanDerWaalsContact O-CB 3.3Å; V35-L39 WeakPolarHBondContact O-CB 3.32Å; V35-L39 PolarHBondContact O-N 3.06Å |
| 36 | L | 91.8 | Very high | 84.3 | Confident | 100 Ų | 100 | 105.9 Ų | 105.9 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.6 | -37.7 | 176.5 | -99.7 | 71.6 | 0 | 0 | 0 | 112.8 | N32 N40 | N32-L36 WeakPolarHBondContact O-CB 3.33Å; N32-L36 WeakPolarHBondContact O-CD1 3.02Å; N32-L36 PolarHBondContact O-N 2.94Å; L36-N40 WeakPolarHBondContact O-CB 3.31Å; L36-N40 PolarHBondContact O-N 3.4Å; L36-N40 PolarHBondContact O-ND2 3.28Å |
| 37 | K | 87.4 | Confident | 85.4 | Confident | 139 Ų | 139 | 101.5 Ų | 101.5 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.9 | -44.6 | 175.7 | -77.8 | 167.8 | -179.1 | 173 | 0 | 111.8 | I33 H34 V35 N40 L41 | I33-K37 HydrophobicContact CG2-CD 4.05Å; I33-K37 WeakPolarHBondContact O-CB 3.36Å; I33-K37 WeakPolarHBondContact O-CD 3.45Å; I33-K37 WeakPolarHBondContact O-CG 3.39Å; I33-K37 PolarHBondContact O-N 3.12Å; I33-K37 VanDerWaalsContact O-N 3.07Å; H34-K37 PolarHBondContact O-N 3.3Å; V35-K37 VanDerWaalsContact C-N 3.32Å; V35-K37 PolarHBondContact O-N 3.49Å; K37-N40 PolarHBondContact O-N 2.85Å; K37-L41 WeakPolarHBondContact O-CB 3.24Å; K37-L41 PolarHBondContact O-N 2.8Å |
| 38 | T | 87.3 | Confident | 86.3 | Confident | 51 Ų | 51 | 99.1 Ų | 99.1 | 31% | 0.313 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.4 | -68.5 | 0 | 0 | 0 | 0 | 111.4 | H34 V35 L41 R42 | H34-T38 WeakPolarHBondContact O-CB 3.35Å; H34-T38 PolarHBondContact O-N 3.21Å; H34-T38 PolarHBondContact O-OG1 3.12Å; V35-T38 PolarHBondContact O-N 2.9Å; T38-L41 PolarHBondContact O-N 2.75Å; T38-R42 WeakPolarHBondContact O-CG 3.28Å; T38-R42 PolarHBondContact O-N 3Å |
| 39 | L | 90.4 | Very high | 86.9 | Confident | 81 Ų | 81 | 100.8 Ų | 100.8 | 42% | 0.424 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.5 | -45 | 174.9 | -164.7 | 74.1 | 0 | 0 | 0 | 111.7 | V35 L41 R42 F43 | V35-L39 VanDerWaalsContact O-CB 3.3Å; V35-L39 WeakPolarHBondContact O-CB 3.32Å; V35-L39 PolarHBondContact O-N 3.06Å; L39-L41 PolarHBondContact O-N 2.71Å; L39-R42 WeakPolarHBondContact O-CB 3.33Å; L39-R42 PolarHBondContact O-N 3.44Å; L39-F43 HydrophobicContact CD1-CE2 4.29Å; L39-F43 HydrophobicContact CD2-CE2 3.79Å; L39-F43 HydrophobicContact CG-CD2 4.01Å; L39-F43 HydrophobicContact CG-CE2 3.61Å; L39-F43 HydrophobicContact CG-CZ 4.41Å; L39-F43 VanDerWaalsContact O-CD2 3.29Å; L39-F43 WeakPolarHBondContact O-CD2 3.48Å; L39-F43 PolarHBondContact O-N 2.9Å |
| 40 | N | 89.5 | Confident | 88 | Confident | 104 Ų | 104 | 98.4 Ų | 98.4 | 56% | 0.556 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.9 | -40 | 174 | -90.4 | -91.9 | 0 | 0 | 0 | 112.4 | L36 K37 F43 R44 | L36-N40 WeakPolarHBondContact O-CB 3.31Å; L36-N40 PolarHBondContact O-N 3.4Å; L36-N40 PolarHBondContact O-ND2 3.28Å; K37-N40 PolarHBondContact O-N 2.85Å; N40-F43 PolarHBondContact O-N 3.26Å; N40-R44 WeakPolarHBondContact O-CB 3.37Å; N40-R44 PolarHBondContact O-N 3.1Å |
| 41 | L | 90.2 | Very high | 89 | Confident | 97 Ų | 97 | 101.5 Ų | 101.5 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 175.6 | -177.9 | 59 | 0 | 0 | 0 | 111.3 | K37 T38 L39 R44 C45 | K37-L41 WeakPolarHBondContact O-CB 3.24Å; K37-L41 PolarHBondContact O-N 2.8Å; T38-L41 PolarHBondContact O-N 2.75Å; L39-L41 PolarHBondContact O-N 2.71Å; L41-R44 PolarHBondContact O-N 2.92Å; L41-C45 PolarHBondContact O-N 3.24Å; L41-C45 PolarHBondContact O-SG 3.28Å; L41-C45 VanDerWaalsContact O-SG 3.34Å |
| 42 | R | 86.4 | Confident | 89.8 | Confident | 160 Ų | 160 | 101 Ų | 101 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.8 | -51.6 | 172.5 | -72.6 | 175 | -178.7 | -166 | 0.7 | 111 | T38 L39 R44 C45 F46 | T38-R42 WeakPolarHBondContact O-CG 3.28Å; T38-R42 PolarHBondContact O-N 3Å; L39-R42 WeakPolarHBondContact O-CB 3.33Å; L39-R42 PolarHBondContact O-N 3.44Å; R42-R44 VanDerWaalsContact C-N 3.33Å; R42-R44 PolarHBondContact O-N 3.15Å; R42-C45 WeakPolarHBondContact O-CB 3.3Å; R42-C45 PolarHBondContact O-N 3.25Å; R42-C45 VanDerWaalsContact O-N 3.1Å; R42-F46 VanDerWaalsContact O-CD2 3.25Å; R42-F46 WeakPolarHBondContact O-CD2 3.21Å; R42-F46 PolarHBondContact O-N 3.32Å |
| 43 | F | 94.5 | Very high | 90.3 | Very high | 117 Ų | 117 | 100.8 Ų | 100.8 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 176.6 | -77.6 | -52.6 | 0 | 0 | 0 | 112.8 | L39 N40 C45 F46 L47 | L39-F43 HydrophobicContact CD1-CE2 4.29Å; L39-F43 HydrophobicContact CD2-CE2 3.79Å; L39-F43 HydrophobicContact CG-CD2 4.01Å; L39-F43 HydrophobicContact CG-CE2 3.61Å; L39-F43 HydrophobicContact CG-CZ 4.41Å; L39-F43 VanDerWaalsContact O-CD2 3.29Å; L39-F43 WeakPolarHBondContact O-CD2 3.48Å; L39-F43 PolarHBondContact O-N 2.9Å; N40-F43 PolarHBondContact O-N 3.26Å; F43-C45 VanDerWaalsContact C-N 3.31Å; F43-C45 PolarHBondContact O-N 2.9Å; F43-F46 PolarHBondContact O-N 2.81Å; F43-L47 WeakPolarHBondContact O-CB 3.47Å; F43-L47 WeakPolarHBondContact O-CG 3.31Å; F43-L47 PolarHBondContact O-N 3.44Å |
| 44 | R | 88.3 | Confident | 90.8 | Very high | 174 Ų | 174 | 102.4 Ų | 102.4 | 66% | 0.657 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63 | -37.2 | 176.8 | -161.8 | -175 | 73.6 | 96.6 | 3.7 | 112.2 | N40 L41 R42 A48 | N40-R44 WeakPolarHBondContact O-CB 3.37Å; N40-R44 PolarHBondContact O-N 3.1Å; L41-R44 PolarHBondContact O-N 2.92Å; R42-R44 VanDerWaalsContact C-N 3.33Å; R42-R44 PolarHBondContact O-N 3.15Å; R44-A48 WeakPolarHBondContact O-CB 3.44Å; R44-A48 PolarHBondContact O-N 2.85Å |
| 45 | C | 84.7 | Confident | 91.2 | Very high | 70 Ų | 70 | 103.4 Ų | 103.4 | 47% | 0.473 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.8 | -40.1 | 173.9 | -68.9 | 0 | 0 | 0 | 0 | 112.4 | L41 R42 F43 A48 K49 | L41-C45 PolarHBondContact O-N 3.24Å; L41-C45 PolarHBondContact O-SG 3.28Å; L41-C45 VanDerWaalsContact O-SG 3.34Å; R42-C45 WeakPolarHBondContact O-CB 3.3Å; R42-C45 PolarHBondContact O-N 3.25Å; R42-C45 VanDerWaalsContact O-N 3.1Å; F43-C45 VanDerWaalsContact C-N 3.31Å; F43-C45 PolarHBondContact O-N 2.9Å; C45-A48 PolarHBondContact O-N 3Å; C45-K49 WeakPolarHBondContact O-CB 3.43Å; C45-K49 PolarHBondContact O-N 3.29Å |
| 46 | F | 95.7 | Very high | 91.4 | Very high | 139 Ų | 139 | 105.6 Ų | 105.6 | 61% | 0.61 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.4 | -48.6 | 173.6 | -83.3 | -68.3 | 0 | 0 | 0 | 111.8 | R42 F43 A48 K49 V50 | R42-F46 VanDerWaalsContact O-CD2 3.25Å; R42-F46 WeakPolarHBondContact O-CD2 3.21Å; R42-F46 PolarHBondContact O-N 3.32Å; F43-F46 PolarHBondContact O-N 2.81Å; F46-A48 VanDerWaalsContact C-N 3.34Å; F46-A48 PolarHBondContact O-N 2.99Å; F46-K49 CarbonylContact O-C 3.58Å; F46-K49 WeakPolarHBondContact O-CA 3.08Å; F46-K49 WeakPolarHBondContact O-CB 3.3Å; F46-K49 PolarHBondContact O-N 3.26Å; F46-V50 WeakPolarHBondContact O-CG2 3.37Å; F46-V50 PolarHBondContact O-N 2.68Å |
| 47 | L | 93.3 | Very high | 91.5 | Very high | 103 Ų | 103 | 105 Ų | 105 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.8 | -44.6 | 175.6 | -72 | 168.1 | 0 | 0 | 0 | 111.6 | F43 K49 V50 H51 | F43-L47 WeakPolarHBondContact O-CB 3.47Å; F43-L47 WeakPolarHBondContact O-CG 3.31Å; F43-L47 PolarHBondContact O-N 3.44Å; L47-K49 VanDerWaalsContact C-N 3.28Å; L47-K49 PolarHBondContact O-N 3Å; L47-V50 PolarHBondContact O-N 2.93Å; L47-H51 PolarHBondContact O-CD2 2.91Å; L47-H51 PolarHBondContact O-N 3.37Å |
| 48 | A | 89.5 | Confident | 91.9 | Very high | 62 Ų | 62 | 105.4 Ų | 105.4 | 51% | 0.512 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -38 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R44 C45 F46 E52 | R44-A48 WeakPolarHBondContact O-CB 3.44Å; R44-A48 PolarHBondContact O-N 2.85Å; C45-A48 PolarHBondContact O-N 3Å; F46-A48 VanDerWaalsContact C-N 3.34Å; F46-A48 PolarHBondContact O-N 2.99Å; A48-E52 WeakPolarHBondContact O-CB 3.44Å; A48-E52 PolarHBondContact O-N 2.59Å; A48-E52 VanDerWaalsContact O-N 3.14Å |
| 49 | K | 88.8 | Confident | 92.2 | Very high | 122 Ų | 122 | 107.8 Ų | 107.8 | 53% | 0.53 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.6 | -39.3 | 175.3 | -176 | 67.1 | 173.6 | -167.6 | 0 | 112.3 | C45 F46 L47 E52 L53 | C45-K49 WeakPolarHBondContact O-CB 3.43Å; C45-K49 PolarHBondContact O-N 3.29Å; F46-K49 CarbonylContact O-C 3.58Å; F46-K49 WeakPolarHBondContact O-CA 3.08Å; F46-K49 WeakPolarHBondContact O-CB 3.3Å; F46-K49 PolarHBondContact O-N 3.26Å; L47-K49 VanDerWaalsContact C-N 3.28Å; L47-K49 PolarHBondContact O-N 3Å; K49-E52 PolarHBondContact O-N 3.11Å; K49-L53 HydrophobicContact CG-CD1 4.2Å; K49-L53 VanDerWaalsContact O-CG 3.31Å; K49-L53 WeakPolarHBondContact O-CG 3.42Å; K49-L53 PolarHBondContact O-N 2.92Å |
| 50 | V | 96.1 | Very high | 92.3 | Very high | 66 Ų | 66 | 108.6 Ų | 108.6 | 40% | 0.4 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -53.6 | 175 | 170.3 | 0 | 0 | 0 | 0 | 110.3 | F46 L47 E52 L53 E54 | F46-V50 WeakPolarHBondContact O-CG2 3.37Å; F46-V50 PolarHBondContact O-N 2.68Å; L47-V50 PolarHBondContact O-N 2.93Å; V50-E52 PolarHBondContact O-N 3.02Å; V50-E52 VanDerWaalsContact O-N 3.1Å; V50-L53 CarbonylContact O-C 3.55Å; V50-L53 WeakPolarHBondContact O-CA 3.42Å; V50-L53 PolarHBondContact O-N 3.44Å; V50-E54 HydrophobicContact CG1-CG 4.27Å; V50-E54 WeakPolarHBondContact O-CG 3.5Å; V50-E54 PolarHBondContact O-N 3.36Å |
| 51 | H | 95.9 | Very high | 92.6 | Very high | 103 Ų | 103 | 108.2 Ų | 108.2 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -25.7 | 177.4 | -72.9 | -133.9 | 0 | 0 | 0 | 113.1 | L47 R55 | L47-H51 PolarHBondContact O-CD2 2.91Å; L47-H51 PolarHBondContact O-N 3.37Å; H51-R55 WeakPolarHBondContact O-CB 3.45Å; H51-R55 WeakPolarHBondContact O-CG 3.3Å; H51-R55 PolarHBondContact O-N 3.41Å; H51-R55 PolarHBondContact O-NE 3.48Å; H51-R55 VanDerWaalsContact O-NE 3.08Å |
| 52 | E | 93.8 | Very high | 92.6 | Very high | 57 Ų | 57 | 106.6 Ų | 106.6 | 27% | 0.266 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -81.6 | -31 | 175.5 | 173.8 | 64.1 | -158.5 | 0 | 0 | 112.9 | A48 K49 V50 R55 R56 | A48-E52 WeakPolarHBondContact O-CB 3.44Å; A48-E52 PolarHBondContact O-N 2.59Å; A48-E52 VanDerWaalsContact O-N 3.14Å; K49-E52 PolarHBondContact O-N 3.11Å; V50-E52 PolarHBondContact O-N 3.02Å; V50-E52 VanDerWaalsContact O-N 3.1Å; E52-R55 VanDerWaalsContact CA-NH2 3.33Å; E52-R55 IonicContact OE2-CZ 2.61Å; E52-R55 IonicContact OE2-NH1 3.13Å; E52-R55 PolarHBondContact OE2-NH1 3.14Å; E52-R55 IonicContact OE2-NH2 2.64Å; E52-R55 PolarHBondContact OE2-NH2 3.48Å; E52-R56 VanDerWaalsContact CG-NH1 3.34Å; E52-R56 PolarHBondContact O-N 3.38Å; E52-R56 PolarHBondContact O-NH1 3.21Å; E52-R56 IonicContact OE1-CZ 2.71Å; E52-R56 IonicContact OE1-NH1 3.06Å; E52-R56 PolarHBondContact OE1-NH1 2.91Å; E52-R56 IonicContact OE1-NH2 2.71Å; E52-R56 PolarHBondContact OE1-NH2 2.87Å |
| 53 | L | 93.4 | Very high | 92.8 | Very high | 90 Ų | 90 | 103.6 Ų | 103.6 | 47% | 0.471 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -75.2 | -44.4 | 170.7 | -72.8 | 169.8 | 0 | 0 | 0 | 111.3 | K49 V50 R55 R56 N57 | K49-L53 HydrophobicContact CG-CD1 4.2Å; K49-L53 VanDerWaalsContact O-CG 3.31Å; K49-L53 WeakPolarHBondContact O-CG 3.42Å; K49-L53 PolarHBondContact O-N 2.92Å; V50-L53 CarbonylContact O-C 3.55Å; V50-L53 WeakPolarHBondContact O-CA 3.42Å; V50-L53 PolarHBondContact O-N 3.44Å; L53-R55 VanDerWaalsContact C-N 3.32Å; L53-R55 PolarHBondContact O-N 2.81Å; L53-R56 CarbonylContact O-C 3.57Å; L53-R56 WeakPolarHBondContact O-CA 3.33Å; L53-R56 WeakPolarHBondContact O-CB 3.46Å; L53-R56 PolarHBondContact O-N 3.05Å; L53-N57 PolarHBondContact O-N 3.44Å |
| 54 | E | 95.9 | Very high | 92.5 | Very high | 112 Ų | 112 | 103.1 Ų | 103.1 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -55.2 | -45.4 | 173.6 | -71.4 | 172.1 | 167.5 | 0 | 0 | 111.8 | V50 R56 N57 K58 | V50-E54 HydrophobicContact CG1-CG 4.27Å; V50-E54 WeakPolarHBondContact O-CG 3.5Å; V50-E54 PolarHBondContact O-N 3.36Å; E54-R56 PolarHBondContact O-N 3.38Å; E54-N57 PolarHBondContact O-N 2.96Å; E54-K58 VanDerWaalsContact O-CB 3.32Å; E54-K58 WeakPolarHBondContact O-CB 3.45Å; E54-K58 PolarHBondContact O-N 2.73Å |
| 55 | R | 94.9 | Very high | 92.4 | Very high | 145 Ų | 145 | 100.3 Ų | 100.3 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 175.5 | -80.1 | -176.7 | -71.2 | 101.2 | -1.4 | 113.1 | H51 E52 L53 L59 | H51-R55 WeakPolarHBondContact O-CB 3.45Å; H51-R55 WeakPolarHBondContact O-CG 3.3Å; H51-R55 PolarHBondContact O-N 3.41Å; H51-R55 PolarHBondContact O-NE 3.48Å; H51-R55 VanDerWaalsContact O-NE 3.08Å; E52-R55 VanDerWaalsContact CA-NH2 3.33Å; E52-R55 IonicContact OE2-CZ 2.61Å; E52-R55 IonicContact OE2-NH1 3.13Å; E52-R55 PolarHBondContact OE2-NH1 3.14Å; E52-R55 IonicContact OE2-NH2 2.64Å; E52-R55 PolarHBondContact OE2-NH2 3.48Å; L53-R55 VanDerWaalsContact C-N 3.32Å; L53-R55 PolarHBondContact O-N 2.81Å; R55-L59 WeakPolarHBondContact O-CB 3.49Å; R55-L59 PolarHBondContact O-N 2.97Å |
| 56 | R | 91.6 | Very high | 92.5 | Very high | 125 Ų | 125 | 103.6 Ų | 103.6 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 170.7 | -81.4 | -165.8 | -173.6 | 68.8 | 14.7 | 111.7 | E52 L53 E54 L59 L60 | E52-R56 VanDerWaalsContact CG-NH1 3.34Å; E52-R56 PolarHBondContact O-N 3.38Å; E52-R56 PolarHBondContact O-NH1 3.21Å; E52-R56 IonicContact OE1-CZ 2.71Å; E52-R56 IonicContact OE1-NH1 3.06Å; E52-R56 PolarHBondContact OE1-NH1 2.91Å; E52-R56 IonicContact OE1-NH2 2.71Å; E52-R56 PolarHBondContact OE1-NH2 2.87Å; L53-R56 CarbonylContact O-C 3.57Å; L53-R56 WeakPolarHBondContact O-CA 3.33Å; L53-R56 WeakPolarHBondContact O-CB 3.46Å; L53-R56 PolarHBondContact O-N 3.05Å; E54-R56 PolarHBondContact O-N 3.38Å; R56-L59 WeakPolarHBondContact O-CB 3.31Å; R56-L59 PolarHBondContact O-N 2.7Å; R56-L59 VanDerWaalsContact O-N 3.14Å; R56-L60 WeakPolarHBondContact O-CG 3.4Å; R56-L60 PolarHBondContact O-N 3.48Å |
| 57 | N | 94.3 | Very high | 91.6 | Very high | 89 Ų | 89 | 100 Ų | 100 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | -177.2 | -150.8 | 45.1 | 0 | 0 | 0 | 110.5 | L53 E54 L59 L60 E61 | L53-N57 PolarHBondContact O-N 3.44Å; E54-N57 PolarHBondContact O-N 2.96Å; N57-L59 VanDerWaalsContact C-N 3.25Å; N57-L59 PolarHBondContact O-N 2.93Å; N57-L60 CarbonylContact O-C 3.54Å; N57-L60 WeakPolarHBondContact O-CA 3.23Å; N57-L60 WeakPolarHBondContact O-CB 3.49Å; N57-L60 PolarHBondContact O-N 3.36Å; N57-E61 PolarHBondContact ND2-OE1 3.5Å; N57-E61 VanDerWaalsContact ND2-OE1 3.09Å; N57-E61 WeakPolarHBondContact O-CB 3.34Å; N57-E61 VanDerWaalsContact O-CG 3.3Å; N57-E61 WeakPolarHBondContact O-CG 3.34Å; N57-E61 PolarHBondContact O-N 3.49Å |
| 58 | K | 96.3 | Very high | 90.8 | Very high | 146 Ų | 146 | 101.3 Ų | 101.3 | 64% | 0.635 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.6 | -32.5 | 173.6 | -169.7 | 167.6 | -173.6 | 167.4 | 0 | 113.6 | E54 S62 | E54-K58 VanDerWaalsContact O-CB 3.32Å; E54-K58 WeakPolarHBondContact O-CB 3.45Å; E54-K58 PolarHBondContact O-N 2.73Å; K58-S62 WeakPolarHBondContact O-CB 3.47Å; K58-S62 PolarHBondContact O-N 3.41Å; K58-S62 PolarHBondContact O-OG 2.85Å |
| 59 | L | 93.2 | Very high | 89.9 | Confident | 101 Ų | 101 | 105.4 Ų | 105.4 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.7 | -41.3 | 172.6 | -179.9 | 62.9 | 0 | 0 | 0 | 111.8 | R55 R56 N57 S62 Q63 | R55-L59 WeakPolarHBondContact O-CB 3.49Å; R55-L59 PolarHBondContact O-N 2.97Å; R56-L59 WeakPolarHBondContact O-CB 3.31Å; R56-L59 PolarHBondContact O-N 2.7Å; R56-L59 VanDerWaalsContact O-N 3.14Å; N57-L59 VanDerWaalsContact C-N 3.25Å; N57-L59 PolarHBondContact O-N 2.93Å; L59-S62 WeakPolarHBondContact O-CB 3.2Å; L59-S62 PolarHBondContact O-N 3.41Å; L59-Q63 VanDerWaalsContact O-CG 3.31Å; L59-Q63 WeakPolarHBondContact O-CG 3.37Å; L59-Q63 PolarHBondContact O-N 3.29Å |
| 60 | L | 93.1 | Very high | 88.2 | Confident | 98 Ų | 98 | 108.7 Ų | 108.7 | 51% | 0.513 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 175.6 | -69.1 | 169.7 | 0 | 0 | 0 | 111.8 | R56 N57 S62 Q63 L64 | R56-L60 WeakPolarHBondContact O-CG 3.4Å; R56-L60 PolarHBondContact O-N 3.48Å; N57-L60 CarbonylContact O-C 3.54Å; N57-L60 WeakPolarHBondContact O-CA 3.23Å; N57-L60 WeakPolarHBondContact O-CB 3.49Å; N57-L60 PolarHBondContact O-N 3.36Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.3Å; L60-Q63 PolarHBondContact O-N 2.9Å; L60-L64 VanDerWaalsContact O-CB 3.32Å; L60-L64 WeakPolarHBondContact O-CB 3.38Å; L60-L64 PolarHBondContact O-N 3.22Å |
| 61 | E | 93.9 | Very high | 86 | Confident | 96 Ų | 96 | 110.1 Ų | 110.1 | 45% | 0.449 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 170.3 | -72.3 | 163.4 | -168.4 | 0 | 0 | 111.1 | N57 L64 Q65 | N57-E61 PolarHBondContact ND2-OE1 3.5Å; N57-E61 VanDerWaalsContact ND2-OE1 3.09Å; N57-E61 WeakPolarHBondContact O-CB 3.34Å; N57-E61 VanDerWaalsContact O-CG 3.3Å; N57-E61 WeakPolarHBondContact O-CG 3.34Å; N57-E61 PolarHBondContact O-N 3.49Å; E61-L64 PolarHBondContact O-N 2.88Å; E61-Q65 WeakPolarHBondContact O-CB 3.46Å; E61-Q65 WeakPolarHBondContact O-CG 3.29Å; E61-Q65 PolarHBondContact O-N 2.9Å |
| 62 | S | 91.3 | Very high | 83.9 | Confident | 63 Ų | 63 | 114.1 Ų | 114.1 | 44% | 0.441 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.8 | -39.6 | 176.3 | -59.8 | 0 | 0 | 0 | 0 | 112 | K58 L59 L60 Q66 | K58-S62 WeakPolarHBondContact O-CB 3.47Å; K58-S62 PolarHBondContact O-N 3.41Å; K58-S62 PolarHBondContact O-OG 2.85Å; L59-S62 WeakPolarHBondContact O-CB 3.2Å; L59-S62 PolarHBondContact O-N 3.41Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.3Å; S62-Q66 VanDerWaalsContact O-CB 3.32Å; S62-Q66 WeakPolarHBondContact O-CB 3.43Å; S62-Q66 PolarHBondContact O-N 3.46Å |
| 63 | Q | 91.3 | Very high | 81.4 | Confident | 97 Ų | 97 | 115.4 Ų | 115.4 | 45% | 0.453 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.7 | -37.9 | 175 | -73.1 | 173.8 | 12.2 | 0 | 0 | 112 | L59 L60 Q66 A67 | L59-Q63 VanDerWaalsContact O-CG 3.31Å; L59-Q63 WeakPolarHBondContact O-CG 3.37Å; L59-Q63 PolarHBondContact O-N 3.29Å; L60-Q63 PolarHBondContact O-N 2.9Å; Q63-Q66 CarbonylContact O-C 3.6Å; Q63-Q66 PolarHBondContact O-N 3.1Å; Q63-A67 WeakPolarHBondContact O-CB 3.11Å; Q63-A67 PolarHBondContact O-N 3.31Å |
| 64 | L | 87.3 | Confident | 78.9 | Confident | 107 Ų | 107 | 121.7 Ų | 121.7 | 56% | 0.56 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.1 | -45.6 | 175.4 | -179.6 | 61.2 | 0 | 0 | 0 | 110.9 | L60 E61 Q66 A67 L68 | L60-L64 VanDerWaalsContact O-CB 3.32Å; L60-L64 WeakPolarHBondContact O-CB 3.38Å; L60-L64 PolarHBondContact O-N 3.22Å; E61-L64 PolarHBondContact O-N 2.88Å; L64-Q66 VanDerWaalsContact C-N 3.31Å; L64-Q66 PolarHBondContact O-N 3.5Å; L64-A67 PolarHBondContact O-N 3.44Å; L64-A67 VanDerWaalsContact O-N 3.13Å; L64-L68 HydrophobicContact CD1-CD1 4.23Å; L64-L68 HydrophobicContact CD1-CG 4.42Å; L64-L68 HydrophobicContact CG-CD1 4.08Å; L64-L68 WeakPolarHBondContact O-CB 3.35Å; L64-L68 VanDerWaalsContact O-CG 3.3Å; L64-L68 WeakPolarHBondContact O-CG 3.47Å; L64-L68 PolarHBondContact O-N 3.49Å |
| 65 | Q | 87.2 | Confident | 76 | Confident | 116 Ų | 116 | 122.1 Ų | 122.1 | 54% | 0.542 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.6 | -39.5 | 171.2 | -74.7 | -174.2 | -1.5 | 0 | 0 | 111.5 | E61 A67 L68 Q69 | E61-Q65 WeakPolarHBondContact O-CB 3.46Å; E61-Q65 WeakPolarHBondContact O-CG 3.29Å; E61-Q65 PolarHBondContact O-N 2.9Å; Q65-A67 VanDerWaalsContact C-N 3.33Å; Q65-A67 PolarHBondContact O-N 2.99Å; Q65-L68 PolarHBondContact O-N 3.47Å; Q65-Q69 WeakPolarHBondContact O-CB 3.38Å; Q65-Q69 VanDerWaalsContact O-CG 3.3Å; Q65-Q69 WeakPolarHBondContact O-CG 3.36Å; Q65-Q69 PolarHBondContact O-N 2.85Å |
| 66 | Q | 85.1 | Confident | 73.4 | Confident | 138 Ų | 138 | 120.9 Ų | 120.9 | 65% | 0.645 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.2 | -32.1 | 174.2 | -168.9 | -179.8 | 40.1 | 0 | 0 | 112.7 | S62 Q63 L64 R70 | S62-Q66 VanDerWaalsContact O-CB 3.32Å; S62-Q66 WeakPolarHBondContact O-CB 3.43Å; S62-Q66 PolarHBondContact O-N 3.46Å; Q63-Q66 CarbonylContact O-C 3.6Å; Q63-Q66 PolarHBondContact O-N 3.1Å; L64-Q66 VanDerWaalsContact C-N 3.31Å; L64-Q66 PolarHBondContact O-N 3.5Å; Q66-R70 WeakPolarHBondContact O-CB 3.35Å; Q66-R70 PolarHBondContact O-N 3.04Å |
| 67 | A | 77.3 | Confident | 70.7 | Confident | 63 Ų | 63 | 123.2 Ų | 123.2 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.6 | -31.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q63 L64 Q65 | Q63-A67 WeakPolarHBondContact O-CB 3.11Å; Q63-A67 PolarHBondContact O-N 3.31Å; L64-A67 PolarHBondContact O-N 3.44Å; L64-A67 VanDerWaalsContact O-N 3.13Å; Q65-A67 VanDerWaalsContact C-N 3.33Å; Q65-A67 PolarHBondContact O-N 2.99Å |
| 68 | L | 77.6 | Confident | 68 | Low | 132 Ų | 132 | 122 Ų | 122 | 69% | 0.691 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -83.3 | -35.6 | 176.1 | -68.2 | 168.7 | 0 | 0 | 0 | 113 | L64 Q65 | L64-L68 HydrophobicContact CD1-CD1 4.23Å; L64-L68 HydrophobicContact CD1-CG 4.42Å; L64-L68 HydrophobicContact CG-CD1 4.08Å; L64-L68 WeakPolarHBondContact O-CB 3.35Å; L64-L68 VanDerWaalsContact O-CG 3.3Å; L64-L68 WeakPolarHBondContact O-CG 3.47Å; L64-L68 PolarHBondContact O-N 3.49Å; Q65-L68 PolarHBondContact O-N 3.47Å |
| 69 | Q | 70.8 | Confident | 65.2 | Low | 148 Ų | 148 | 125.1 Ų | 125.1 | 69% | 0.692 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -82.8 | -17.5 | 175.1 | -70 | -175.9 | 24.4 | 0 | 0 | 113 | Q65 P71 | Q65-Q69 WeakPolarHBondContact O-CB 3.38Å; Q65-Q69 VanDerWaalsContact O-CG 3.3Å; Q65-Q69 WeakPolarHBondContact O-CG 3.36Å; Q65-Q69 PolarHBondContact O-N 2.85Å; Q69-P71 WeakPolarHBondContact O-CD 3.17Å; Q69-P71 VanDerWaalsContact O-N 3.09Å |
| 70 | R | 52.7 | Low | 62.4 | Low | 190 Ų | 190 | 127.5 Ų | 127.5 | 72% | 0.717 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -53.4 | 117 | 155.5 | -104.8 | -178.5 | 170.5 | 161.1 | -0.6 | 106 | Q66 | Q66-R70 WeakPolarHBondContact O-CB 3.35Å; Q66-R70 PolarHBondContact O-N 3.04Å |
| 71 | P | 49.6 | Very low | 59.8 | Low | 97 Ų | 97 | 126.4 Ų | 126.4 | 63% | 0.63 | 64% | 0.635 | S | S | * | * | trans | -55.8 | 160.5 | 170 | -20.3 | 32.8 | 0 | 0 | 0 | 108.3 | Q69 C73 | Q69-P71 WeakPolarHBondContact O-CD 3.17Å; Q69-P71 VanDerWaalsContact O-N 3.09Å; P71-C73 PolarHBondContact O-N 3.44Å | ||
| 72 | Q | 52.1 | Low | 57.2 | Low | 187 Ų | 187 | 125 Ų | 125 | 87% | 0.874 | 64% | 0.639 | S | S | * | * | trans | -70.3 | 63.8 | 158.9 | -69.4 | -170.3 | 9.1 | 0 | 0 | 110.1 | R74 | Q72-R74 PolarHBondContact O-N 2.72Š| ||
| 73 | C | 39.7 | Very low | 54.7 | Low | 83 Ų | 83 | 126.6 Ų | 126.6 | 56% | 0.561 | 65% | 0.646 | S | S | * | * | trans | -61.8 | 68.9 | 146.2 | -74.1 | 0 | 0 | 0 | 0 | 108.9 | P71 H75 | P71-C73 PolarHBondContact O-N 3.44Å; C73-H75 PolarHBondContact O-N 3.23Å | ||
| 74 | R | 41.3 | Very low | 52.2 | Low | 223 Ų | 223 | 127 Ų | 127 | 84% | 0.842 | 65% | 0.648 | S | S | * | * | -46.5 | 76 | 104.2 | -70.3 | -174.3 | 176.9 | -169.6 | 1.1 | 108.4 | Q72 P76 | Q72-R74 PolarHBondContact O-N 2.72Å; R74-P76 VanDerWaalsContact O-CD 3.25Å; R74-P76 WeakPolarHBondContact O-CD 3.27Å | |||
| 75 | H | 34.9 | Very low | 50 | Low | 120 Ų | 120 | 127.2 Ų | 127.2 | 56% | 0.556 | 65% | 0.654 | S | S | * | * | trans | -48.2 | 126.2 | 136.4 | -88.4 | 2.7 | 0 | 0 | 0 | 104.2 | C73 F77 | C73-H75 PolarHBondContact O-N 3.23Å; H75-F77 HydrophobicContact CB-CD2 4.04Å; H75-F77 HydrophobicContact CB-CE2 4.37Å; H75-F77 PolarHBondContact O-N 3.24Å | ||
| 76 | P | 40.6 | Very low | 47.6 | Very low | 120 Ų | 120 | 126.6 Ų | 126.6 | 78% | 0.779 | 65% | 0.654 | S | S | * | * | trans | -59.5 | 84.5 | 136.3 | 31.3 | -30.4 | 0 | 0 | 0 | 105.4 | R74 G78 | R74-P76 VanDerWaalsContact O-CD 3.25Å; R74-P76 WeakPolarHBondContact O-CD 3.27Å; P76-G78 PolarHBondContact O-N 2.88Å | ||
| 77 | F | 35.3 | Very low | 45.8 | Very low | 173 Ų | 173 | 121.8 Ų | 121.8 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | -44.8 | 112.5 | 128.9 | -79.8 | -78.8 | 0 | 0 | 0 | 102.5 | H75 R79 | H75-F77 HydrophobicContact CB-CD2 4.04Å; H75-F77 HydrophobicContact CB-CE2 4.37Å; H75-F77 PolarHBondContact O-N 3.24Å; F77-R79 PolarHBondContact O-N 3.36Å | |||
| 78 | G | 36.4 | Very low | 44.2 | Very low | 64 Ų | 64 | 125.4 Ų | 125.4 | 66% | 0.66 | 66% | 0.66 | S | S | * | * | trans | -54.3 | 99.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 104.4 | P76 E80 | P76-G78 PolarHBondContact O-N 2.88Å; G78-E80 PolarHBondContact O-N 2.87Å | ||
| 79 | R | 38.4 | Very low | 42.6 | Very low | 212 Ų | 212 | 128.2 Ų | 128.2 | 80% | 0.8 | 67% | 0.67 | S | S | * | * | trans | -69.9 | 100.3 | 178.5 | -166.4 | -176.2 | -169.2 | -124.4 | 6.3 | 100.7 | F77 V81 | F77-R79 PolarHBondContact O-N 3.36Å; R79-V81 HydrophobicContact CB-CG2 4.02Å; R79-V81 HydrophobicContact CG-CG2 3.58Å; R79-V81 PolarHBondContact O-N 3.2Å | ||
| 80 | E | 35.3 | Very low | 41.5 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | trans | -67.3 | 65.8 | 166 | -67.2 | -172.2 | 169.6 | 0 | 0 | 106.6 | G78 A82 F99 | G78-E80 PolarHBondContact O-N 2.87Å; E80-A82 PolarHBondContact O-N 2.89Å; E80-F99 WeakPolarHBondContact OE1-CE2 3.35Å; E80-F99 WeakPolarHBondContact OE1-CZ 3.47Å | ||
| 81 | V | 38.5 | Very low | 41.2 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 46% | 0.455 | 66% | 0.662 | S | S | . | * | trans | -64.1 | 84 | 146.4 | -159.7 | 0 | 0 | 0 | 0 | 103 | R79 V83 | R79-V81 HydrophobicContact CB-CG2 4.02Å; R79-V81 HydrophobicContact CG-CG2 3.58Å; R79-V81 PolarHBondContact O-N 3.2Å; V81-V83 HydrophobicContact CB-CG2 4.11Å; V81-V83 HydrophobicContact CG1-CB 4.43Å; V81-V83 HydrophobicContact CG1-CG2 3.48Å; V81-V83 VanDerWaalsContact CG1-CG2 3.48Å; V81-V83 PolarHBondContact O-N 3.49Å | ||
| 82 | A | 37.9 | Very low | 41 | Very low | 66 Ų | 66 | 125.7 Ų | 125.7 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | trans | -55 | 81.1 | 142.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | E80 Q84 | E80-A82 PolarHBondContact O-N 2.89Å; A82-Q84 VanDerWaalsContact C-N 3.35Å; A82-Q84 PolarHBondContact O-N 3.47Å | ||
| 83 | V | 38.8 | Very low | 40.4 | Very low | 96 Ų | 96 | 123 Ų | 123 | 58% | 0.582 | 67% | 0.666 | S | S | * | * | trans | -60.1 | 110.2 | 164.4 | 178.6 | 0 | 0 | 0 | 0 | 102.6 | V81 T85 | V81-V83 HydrophobicContact CB-CG2 4.11Å; V81-V83 HydrophobicContact CG1-CB 4.43Å; V81-V83 HydrophobicContact CG1-CG2 3.48Å; V81-V83 VanDerWaalsContact CG1-CG2 3.48Å; V81-V83 PolarHBondContact O-N 3.49Å; V83-T85 HydrophobicContact CB-CG2 4.17Å; V83-T85 HydrophobicContact CG1-CG2 3.71Å; V83-T85 PolarHBondContact O-N 3.44Å | ||
| 84 | Q | 39.5 | Very low | 40.9 | Very low | 105 Ų | 105 | 121.2 Ų | 121.2 | 49% | 0.491 | 66% | 0.662 | S | S | . | * | trans | -70.3 | 84.8 | 172.4 | -166.3 | 161.1 | 38.2 | 0 | 0 | 106 | A82 D86 | A82-Q84 VanDerWaalsContact C-N 3.35Å; A82-Q84 PolarHBondContact O-N 3.47Å; Q84-D86 PolarHBondContact O-N 2.82Å | ||
| 85 | T | 40.3 | Very low | 41.2 | Very low | 113 Ų | 113 | 112.9 Ų | 112.9 | 69% | 0.693 | 64% | 0.636 | S | S | * | * | trans | -72.8 | 84 | 178.1 | 51.7 | 0 | 0 | 0 | 0 | 107.3 | V83 G87 | V83-T85 HydrophobicContact CB-CG2 4.17Å; V83-T85 HydrophobicContact CG1-CG2 3.71Å; V83-T85 PolarHBondContact O-N 3.44Å; T85-G87 PolarHBondContact O-N 3.09Å | ||
| 86 | D | 37.5 | Very low | 41.9 | Very low | 102 Ų | 102 | 111.7 Ų | 111.7 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | trans | -68.9 | 71.5 | 169.8 | -85.8 | -53.2 | 0 | 0 | 0 | 110.1 | Q84 R91 | Q84-D86 PolarHBondContact O-N 2.82Å; D86-R91 IonicContact OD1-CZ 3.14Å; D86-R91 IonicContact OD1-NE 2.72Å; D86-R91 PolarHBondContact OD1-NE 2.99Å; D86-R91 IonicContact OD1-NH2 2.75Å; D86-R91 PolarHBondContact OD1-NH2 3.37Å; D86-R91 IonicContact OD2-CZ 4Å; D86-R91 IonicContact OD2-NH2 2.92Å; D86-R91 PolarHBondContact OD2-NH2 2.85Å | ||
| 87 | G | 47.3 | Very low | 42.2 | Very low | 38 Ų | 38 | 115.8 Ų | 115.8 | 39% | 0.392 | 63% | 0.633 | S | S | . | * | trans | -76.7 | 149.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | T85 E89 | T85-G87 PolarHBondContact O-N 3.09Å; G87-E89 VanDerWaalsContact C-N 3.26Å; G87-E89 PolarHBondContact O-N 2.97Å | ||
| 88 | P | 42.7 | Very low | 42.7 | Very low | 138 Ų | 138 | 111.5 Ų | 111.5 | 90% | 0.896 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -10.4 | -160.8 | -21.9 | 35 | 0 | 0 | 0 | 116.7 | ||
| 89 | E | 44.3 | Very low | 43 | Very low | 191 Ų | 191 | 114 Ų | 114 | 89% | 0.893 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | 4 | -158.1 | -57 | -167.6 | 140.2 | 0 | 0 | 115.7 | G87 | G87-E89 VanDerWaalsContact C-N 3.26Å; G87-E89 PolarHBondContact O-N 2.97Å |
| 90 | S | 47.4 | Very low | 43.4 | Very low | 104 Ų | 104 | 106.6 Ų | 106.6 | 73% | 0.727 | 60% | 0.595 | S | S | * | * | trans | -138.5 | 46.8 | -170.6 | 63.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 91 | R | 47.2 | Very low | 43.8 | Very low | 139 Ų | 139 | 105 Ų | 105 | 53% | 0.525 | 59% | 0.587 | S | S | . | * | trans | -106.6 | 88.3 | 159.7 | -74.4 | -173.8 | -179.4 | -113.6 | 12.3 | 111.3 | D86 | D86-R91 IonicContact OD1-CZ 3.14Å; D86-R91 IonicContact OD1-NE 2.72Å; D86-R91 PolarHBondContact OD1-NE 2.99Å; D86-R91 IonicContact OD1-NH2 2.75Å; D86-R91 PolarHBondContact OD1-NH2 3.37Å; D86-R91 IonicContact OD2-CZ 4Å; D86-R91 IonicContact OD2-NH2 2.92Å; D86-R91 PolarHBondContact OD2-NH2 2.85Å | ||
| 92 | L | 45.7 | Very low | 44.3 | Very low | 139 Ų | 139 | 106.5 Ų | 106.5 | 73% | 0.728 | 59% | 0.592 | S | S | * | * | trans | -65.9 | 131.8 | 162 | -72 | 173.5 | 0 | 0 | 0 | 109 | G94 T95 | L92-G94 PolarHBondContact O-N 3.4Å; L92-T95 PolarHBondContact O-N 2.93Å | ||
| 93 | P | 39.8 | Very low | 44.8 | Very low | 130 Ų | 130 | 111 Ų | 111 | 84% | 0.844 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | 130.9 | -178.8 | -28.5 | 35.7 | 0 | 0 | 0 | 112.6 | ||
| 94 | G | 49.1 | Very low | 45.2 | Very low | 47 Ų | 47 | 114.7 Ų | 114.7 | 49% | 0.485 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 92.3 | 0.8 | 179 | 0 | 0 | 0 | 0 | 0 | 116.4 | L92 | L92-G94 PolarHBondContact O-N 3.4Š|
| 95 | T | 49.2 | Very low | 45.2 | Very low | 47 Ų | 47 | 116.8 Ų | 116.8 | 29% | 0.288 | 61% | 0.608 | S | S | . | * | trans | -108.1 | 112 | 173.7 | -50.5 | 0 | 0 | 0 | 0 | 110.9 | L92 | L92-T95 PolarHBondContact O-N 2.93Š| ||
| 96 | I | 49.2 | Very low | 46.2 | Very low | 96 Ų | 96 | 113.9 Ų | 113.9 | 49% | 0.492 | 60% | 0.601 | S | S | . | * | trans | -95.2 | -37.2 | -177.7 | -60 | -174.1 | 0 | 0 | 0 | 112.4 | ||||
| 97 | W | 45.8 | Very low | 46.6 | Very low | 206 Ų | 206 | 117.9 Ų | 117.9 | 78% | 0.78 | 62% | 0.616 | S | S | * | * | trans | -125.8 | 138.8 | 175.5 | -72.7 | -12.1 | 0 | 0 | 0 | 111.2 | ||||
| 98 | S | 46.6 | Very low | 46.3 | Very low | 83 Ų | 83 | 124.6 Ų | 124.6 | 58% | 0.58 | 63% | 0.63 | S | S | * | * | trans | -120.4 | 106.3 | 169.8 | 46.5 | 0 | 0 | 0 | 0 | 109.6 | T100 | S98-T100 PolarHBondContact O-N 3.43Š| ||
| 99 | F | 42.8 | Very low | 46.4 | Very low | 116 Ų | 116 | 124.6 Ų | 124.6 | 51% | 0.509 | 62% | 0.616 | S | S | . | * | trans | -77.2 | 114.4 | 179.4 | -158.2 | -73.8 | 0 | 0 | 0 | 110.4 | E80 H101 | E80-F99 WeakPolarHBondContact OE1-CE2 3.35Å; E80-F99 WeakPolarHBondContact OE1-CZ 3.47Å; F99-H101 AromaticContact CD1-CD2 3.81Å; F99-H101 AromaticContact CD1-CE1 3.75Å; F99-H101 AromaticContact CD1-NE2 3.62Å; F99-H101 AromaticContact CE1-CE1 3.37Å; F99-H101 WeakPolarHBondContact CE1-CE1 3.43Å; F99-H101 AromaticContact CE1-CG 3.98Å; F99-H101 AromaticContact CE1-ND1 3.53Å; F99-H101 AromaticContact CE1-NE2 3.75Å | ||
| 100 | T | 46.8 | Very low | 46.4 | Very low | 56 Ų | 56 | 120.4 Ų | 120.4 | 34% | 0.344 | 60% | 0.596 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.3 | 105.8 | -176.5 | -53.6 | 0 | 0 | 0 | 0 | 110.2 | S98 I102 T111 | S98-T100 PolarHBondContact O-N 3.43Å; T100-I102 PolarHBondContact O-N 3.36Å; T100-T111 HydrophobicContact CG2-CG2 3.33Å |
| 101 | H | 43.3 | Very low | 46.3 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 54% | 0.542 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.6 | 103.2 | 178.1 | -73.8 | -77.5 | 0 | 0 | 0 | 110.7 | F99 R103 L112 | F99-H101 AromaticContact CD1-CD2 3.81Å; F99-H101 AromaticContact CD1-CE1 3.75Å; F99-H101 AromaticContact CD1-NE2 3.62Å; F99-H101 AromaticContact CE1-CE1 3.37Å; F99-H101 WeakPolarHBondContact CE1-CE1 3.43Å; F99-H101 AromaticContact CE1-CG 3.98Å; F99-H101 AromaticContact CE1-ND1 3.53Å; F99-H101 AromaticContact CE1-NE2 3.75Å; H101-R103 PolarHBondContact O-N 2.98Å; H101-L112 PolarHBondContact N-O 3.47Å; H101-L112 PolarHBondContact O-N 3Å |
| 102 | I | 49 | Very low | 46.3 | Very low | 108 Ų | 108 | 118 Ų | 118 | 55% | 0.554 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.7 | 107.6 | 167.2 | -56.2 | 176.6 | 0 | 0 | 0 | 108.1 | T100 F109 T111 | T100-I102 PolarHBondContact O-N 3.36Å; I102-F109 HydrophobicContact CG2-CB 4.5Å; I102-F109 HydrophobicContact CG2-CD1 4.11Å; I102-T111 HydrophobicContact CG1-CG2 4.47Å |
| 103 | R | 47.8 | Very low | 46.4 | Very low | 159 Ų | 159 | 118.1 Ų | 118.1 | 60% | 0.6 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 115.5 | 175.7 | -158.3 | 177.5 | -158.2 | -113.1 | 5.2 | 108.9 | H101 E110 | H101-R103 PolarHBondContact O-N 2.98Å; R103-E110 PolarHBondContact N-O 3.01Å; R103-E110 PolarHBondContact O-N 3.39Å |
| 104 | R | 47.5 | Very low | 47 | Very low | 175 Ų | 175 | 113.4 Ų | 113.4 | 66% | 0.66 | 56% | 0.56 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.6 | 119.1 | 173.1 | -171.2 | -178 | 178.3 | -163.4 | 2.5 | 109.9 | G106 F109 | R104-G106 WeakPolarHBondContact CG-O 3.44Å; R104-G106 PolarHBondContact NE-O 3.28Å; R104-F109 HydrophobicContact CG-CE1 4.43Å |
| 105 | Q | 40.6 | Very low | 47 | Very low | 148 Ų | 148 | 117.4 Ų | 117.4 | 69% | 0.692 | 58% | 0.578 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -130.2 | 90.6 | 172.2 | -168.8 | 162.9 | -11.6 | 0 | 0 | 108.7 | ||
| 106 | G | 61.6 | Low | 47 | Very low | 53 Ų | 53 | 118.2 Ų | 118.2 | 55% | 0.546 | 60% | 0.595 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 78.8 | -136.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R104 | R104-G106 WeakPolarHBondContact CG-O 3.44Å; R104-G106 PolarHBondContact NE-O 3.28Å |
| 107 | E | 44.4 | Very low | 46.8 | Very low | 186 Ų | 186 | 119.4 Ų | 119.4 | 87% | 0.869 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -10.4 | -179 | -62.7 | -169.5 | 125.2 | 0 | 0 | 113.9 | ||
| 108 | R | 42 | Very low | 46.7 | Very low | 178 Ų | 178 | 114.2 Ų | 114.2 | 67% | 0.672 | 60% | 0.598 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94 | 134.5 | 177 | -156.3 | 176.2 | -170.3 | -139.2 | 6.3 | 111 | E110 | R108-E110 IonicContact CZ-OE1 2.67Å; R108-E110 IonicContact NH1-OE1 2.66Å; R108-E110 PolarHBondContact NH1-OE1 3.17Å |
| 109 | F | 44.1 | Very low | 46.9 | Very low | 138 Ų | 138 | 118.5 Ų | 118.5 | 61% | 0.605 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 132.1 | 169 | -61 | -92.2 | 0 | 0 | 0 | 108.6 | I102 R104 | I102-F109 HydrophobicContact CG2-CB 4.5Å; I102-F109 HydrophobicContact CG2-CD1 4.11Å; R104-F109 HydrophobicContact CG-CE1 4.43Å |
| 110 | E | 43.5 | Very low | 47.4 | Very low | 103 Ų | 103 | 118.1 Ų | 118.1 | 48% | 0.481 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.5 | 121.7 | 176.1 | -154.5 | 156.9 | -106 | 0 | 0 | 109.3 | R103 R108 | R103-E110 PolarHBondContact N-O 3.01Å; R103-E110 PolarHBondContact O-N 3.39Å; R108-E110 IonicContact CZ-OE1 2.67Å; R108-E110 IonicContact NH1-OE1 2.66Å; R108-E110 PolarHBondContact NH1-OE1 3.17Å |
| 111 | T | 47.1 | Very low | 47.8 | Very low | 91 Ų | 91 | 118.3 Ų | 118.3 | 56% | 0.558 | 61% | 0.606 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.4 | 96.9 | -169.1 | -55 | 0 | 0 | 0 | 0 | 109 | T100 I102 H113 | T100-T111 HydrophobicContact CG2-CG2 3.33Å; I102-T111 HydrophobicContact CG1-CG2 4.47Å; T111-H113 PolarHBondContact O-N 3.49Å |
| 112 | L | 45.9 | Very low | 49.1 | Very low | 101 Ų | 101 | 116.5 Ų | 116.5 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.2 | 108 | -179.9 | -73.5 | 168 | 0 | 0 | 0 | 109.8 | H101 G114 | H101-L112 PolarHBondContact N-O 3.47Å; H101-L112 PolarHBondContact O-N 3Å; L112-G114 PolarHBondContact O-N 3.19Å |
| 113 | H | 49.2 | Very low | 50 | Low | 142 Ų | 142 | 119.8 Ų | 119.8 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.7 | 110.4 | 172.2 | -148.8 | 87.5 | 0 | 0 | 0 | 108.6 | T111 | T111-H113 PolarHBondContact O-N 3.49Å |
| 114 | G | 50.9 | Low | 51.3 | Low | 31 Ų | 31 | 114 Ų | 114 | 32% | 0.32 | 61% | 0.613 | S | S | . | * | trans | -69.2 | 159.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | L112 G116 | L112-G114 PolarHBondContact O-N 3.19Å; G114-G116 PolarHBondContact O-N 2.97Å | ||
| 115 | P | 49.7 | Very low | 52.9 | Low | 131 Ų | 131 | 107.5 Ų | 107.5 | 85% | 0.851 | 59% | 0.593 | S | S | * | * | trans | -58.5 | 113.5 | 169.8 | -21 | 33.2 | 0 | 0 | 0 | 109.6 | V117 | P115-V117 PolarHBondContact O-N 2.95Š| ||
| 116 | G | 48.4 | Very low | 54.6 | Low | 64 Ų | 64 | 102 Ų | 102 | 66% | 0.66 | 58% | 0.576 | S | S | * | * | trans | -64.1 | 107.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G114 T118 | G114-G116 PolarHBondContact O-N 2.97Å; G116-T118 PolarHBondContact O-N 3.03Å; G116-T118 VanDerWaalsContact O-N 3.09Å | ||
| 117 | V | 45.9 | Very low | 55.6 | Low | 122 Ų | 122 | 104.2 Ų | 104.2 | 74% | 0.739 | 58% | 0.579 | S | S | * | * | trans | -69.9 | 105.5 | 169.6 | -179.3 | 0 | 0 | 0 | 0 | 107.2 | P115 W119 | P115-V117 PolarHBondContact O-N 2.95Å; V117-W119 PolarHBondContact O-N 3.39Å | ||
| 118 | T | 43.7 | Very low | 57.5 | Low | 97 Ų | 97 | 101 Ų | 101 | 60% | 0.595 | 56% | 0.564 | S | S | * | * | trans | -66.9 | 83.7 | 170.7 | 48.1 | 0 | 0 | 0 | 0 | 109 | G116 T120 | G116-T118 PolarHBondContact O-N 3.03Å; G116-T118 VanDerWaalsContact O-N 3.09Å; T118-T120 PolarHBondContact O-N 3.18Å | ||
| 119 | W | 50.2 | Low | 59.5 | Low | 173 Ų | 173 | 96.5 Ų | 96.5 | 66% | 0.655 | 55% | 0.552 | S | S | * | * | trans | -76.9 | 80.6 | 176.2 | -157.2 | 51.6 | 0 | 0 | 0 | 108.8 | V117 H121 | V117-W119 PolarHBondContact O-N 3.39Å; W119-H121 AromaticContact CE3-CE1 3.76Å; W119-H121 AromaticContact CE3-NE2 3.9Å; W119-H121 AromaticContact CZ3-CE1 3.49Å; W119-H121 VanDerWaalsContact CZ3-CE1 3.49Å; W119-H121 WeakPolarHBondContact CZ3-CE1 3.43Å; W119-H121 AromaticContact CZ3-ND1 3.89Å; W119-H121 PolarHBondContact O-N 2.86Å | ||
| 120 | T | 54.6 | Low | 61.5 | Low | 108 Ų | 108 | 95.6 Ų | 95.6 | 66% | 0.663 | 55% | 0.554 | S | S | * | * | trans | -57.4 | 103 | 163.6 | 50.5 | 0 | 0 | 0 | 0 | 107.3 | T118 | T118-T120 PolarHBondContact O-N 3.18Š| ||
| 121 | H | 54.3 | Low | 63.7 | Low | 60 Ų | 60 | 94 Ų | 94 | 28% | 0.278 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -50.7 | 130.2 | 172.7 | -80.1 | -92.4 | 0 | 0 | 0 | 108.7 | W119 D123 V125 | W119-H121 AromaticContact CE3-CE1 3.76Å; W119-H121 AromaticContact CE3-NE2 3.9Å; W119-H121 AromaticContact CZ3-CE1 3.49Å; W119-H121 VanDerWaalsContact CZ3-CE1 3.49Å; W119-H121 WeakPolarHBondContact CZ3-CE1 3.43Å; W119-H121 AromaticContact CZ3-ND1 3.89Å; W119-H121 PolarHBondContact O-N 2.86Å; H121-D123 PolarHBondContact O-N 3.04Å; H121-V125 HydrophobicContact CB-CB 4.36Å |
| 122 | P | 69.8 | Low | 65.9 | Low | 79 Ų | 79 | 93.9 Ų | 93.9 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 140.9 | 174 | -25.7 | 33.6 | 0 | 0 | 0 | 110.7 | G124 V125 | P122-G124 PolarHBondContact O-N 2.87Å; P122-V125 HydrophobicContact CB-CG2 3.97Å; P122-V125 HydrophobicContact CG-CG2 4.27Å; P122-V125 WeakPolarHBondContact O-CB 3.37Å; P122-V125 WeakPolarHBondContact O-CG2 3.39Å; P122-V125 PolarHBondContact O-N 3Å |
| 123 | D | 68.8 | Low | 68 | Low | 176 Ų | 176 | 92 Ų | 92 | 94% | 0.941 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 128 | -174 | -72.7 | -45 | 0 | 0 | 0 | 111.4 | H121 | H121-D123 PolarHBondContact O-N 3.04Š|
| 124 | G | 74.7 | Confident | 70.1 | Confident | 38 Ų | 38 | 88.4 Ų | 88.4 | 39% | 0.392 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -14.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | P122 G126 V127 Q128 | P122-G124 PolarHBondContact O-N 2.87Å; G124-G126 VanDerWaalsContact C-N 3.32Å; G124-G126 PolarHBondContact O-N 3.12Å; G124-V127 WeakPolarHBondContact O-CB 3.44Å; G124-V127 PolarHBondContact O-N 2.96Å; G124-V127 VanDerWaalsContact O-N 3.14Å; G124-Q128 WeakPolarHBondContact O-CG 3.32Å; G124-Q128 PolarHBondContact O-N 2.92Å |
| 125 | V | 81.4 | Confident | 72.1 | Confident | 39 Ų | 39 | 92.3 Ų | 92.3 | 24% | 0.236 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -63.9 | -35.6 | 179.1 | 171.1 | 0 | 0 | 0 | 0 | 112.3 | H121 P122 Q128 I129 | H121-V125 HydrophobicContact CB-CB 4.36Å; P122-V125 HydrophobicContact CB-CG2 3.97Å; P122-V125 HydrophobicContact CG-CG2 4.27Å; P122-V125 WeakPolarHBondContact O-CB 3.37Å; P122-V125 WeakPolarHBondContact O-CG2 3.39Å; P122-V125 PolarHBondContact O-N 3Å; V125-Q128 PolarHBondContact O-N 2.92Å; V125-I129 HydrophobicContact CG1-CD1 4.08Å; V125-I129 WeakPolarHBondContact O-CG1 3.41Å; V125-I129 PolarHBondContact O-N 2.81Å |
| 126 | G | 76.9 | Confident | 74.2 | Confident | 33 Ų | 33 | 89.2 Ų | 89.2 | 34% | 0.34 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G124 Q128 I129 D130 | G124-G126 VanDerWaalsContact C-N 3.32Å; G124-G126 PolarHBondContact O-N 3.12Å; G126-Q128 VanDerWaalsContact C-N 3.29Å; G126-Q128 PolarHBondContact O-N 3.22Å; G126-I129 WeakPolarHBondContact O-CB 3.18Å; G126-I129 PolarHBondContact O-N 3.45Å; G126-D130 PolarHBondContact O-N 3.44Å |
| 127 | V | 82.2 | Confident | 76.3 | Confident | 98 Ų | 98 | 93.1 Ų | 93.1 | 59% | 0.594 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61 | -36.9 | 177.8 | -174.4 | 0 | 0 | 0 | 0 | 111.8 | G124 D130 T131 | G124-V127 WeakPolarHBondContact O-CB 3.44Å; G124-V127 PolarHBondContact O-N 2.96Å; G124-V127 VanDerWaalsContact O-N 3.14Å; V127-D130 PolarHBondContact O-N 2.89Å; V127-T131 WeakPolarHBondContact O-CB 3.26Å; V127-T131 PolarHBondContact O-N 2.74Å; V127-T131 PolarHBondContact O-OG1 2.89Å |
| 128 | Q | 83.9 | Confident | 78.7 | Confident | 119 Ų | 119 | 89.7 Ų | 89.7 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64 | -43.6 | 172.7 | -70.2 | 175.3 | -3.2 | 0 | 0 | 111.9 | G124 V125 G126 T131 I132 | G124-Q128 WeakPolarHBondContact O-CG 3.32Å; G124-Q128 PolarHBondContact O-N 2.92Å; V125-Q128 PolarHBondContact O-N 2.92Å; G126-Q128 VanDerWaalsContact C-N 3.29Å; G126-Q128 PolarHBondContact O-N 3.22Å; Q128-T131 PolarHBondContact O-N 3.36Å; Q128-I132 HydrophobicContact CB-CD1 4.47Å; Q128-I132 WeakPolarHBondContact O-CB 3.4Å; Q128-I132 WeakPolarHBondContact O-CD1 3.28Å; Q128-I132 VanDerWaalsContact O-CG1 3.22Å; Q128-I132 WeakPolarHBondContact O-CG1 3.29Å; Q128-I132 PolarHBondContact O-N 3.22Å |
| 129 | I | 85.4 | Confident | 81.2 | Confident | 83 Ų | 83 | 90.9 Ų | 90.9 | 43% | 0.426 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 176 | -67.3 | 163.7 | 0 | 0 | 0 | 110.7 | V125 G126 T131 I132 T133 | V125-I129 HydrophobicContact CG1-CD1 4.08Å; V125-I129 WeakPolarHBondContact O-CG1 3.41Å; V125-I129 PolarHBondContact O-N 2.81Å; G126-I129 WeakPolarHBondContact O-CB 3.18Å; G126-I129 PolarHBondContact O-N 3.45Å; I129-T131 VanDerWaalsContact C-N 3.26Å; I129-T131 PolarHBondContact O-N 3.3Å; I129-I132 PolarHBondContact O-N 3.14Å; I129-T133 VanDerWaalsContact O-CB 3.23Å; I129-T133 WeakPolarHBondContact O-CB 3.42Å; I129-T133 PolarHBondContact O-N 2.89Å; I129-T133 PolarHBondContact O-OG1 3.09Å |
| 130 | D | 85.6 | Confident | 83.3 | Confident | 120 Ų | 120 | 90.2 Ų | 90.2 | 64% | 0.642 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.6 | -25.6 | 178.2 | -67.8 | -31.8 | 0 | 0 | 0 | 113 | G126 V127 P134 | G126-D130 PolarHBondContact O-N 3.44Å; V127-D130 PolarHBondContact O-N 2.89Å; D130-P134 WeakPolarHBondContact O-CD 3.42Å; D130-P134 VanDerWaalsContact O-CG 3.31Å; D130-P134 WeakPolarHBondContact O-CG 3.47Å |
| 131 | T | 90.1 | Very high | 85.3 | Confident | 68 Ų | 68 | 90.2 Ų | 90.2 | 42% | 0.417 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -82.9 | -46.9 | 174.6 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | V127 Q128 I129 T133 P134 E135 | V127-T131 WeakPolarHBondContact O-CB 3.26Å; V127-T131 PolarHBondContact O-N 2.74Å; V127-T131 PolarHBondContact O-OG1 2.89Å; Q128-T131 PolarHBondContact O-N 3.36Å; I129-T131 VanDerWaalsContact C-N 3.26Å; I129-T131 PolarHBondContact O-N 3.3Å; T131-T133 PolarHBondContact O-N 2.8Å; T131-P134 VanDerWaalsContact O-CD 3.24Å; T131-P134 WeakPolarHBondContact O-CD 3.41Å; T131-P134 VanDerWaalsContact O-CG 3.28Å; T131-P134 WeakPolarHBondContact O-CG 3.43Å; T131-E135 WeakPolarHBondContact O-CG 3.46Å |
| 132 | I | 92.2 | Very high | 87.4 | Confident | 89 Ų | 89 | 91.4 Ų | 91.4 | 46% | 0.456 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.2 | -33.8 | -176.3 | -67 | 164.7 | 0 | 0 | 0 | 111.6 | Q128 I129 E135 V136 | Q128-I132 HydrophobicContact CB-CD1 4.47Å; Q128-I132 WeakPolarHBondContact O-CB 3.4Å; Q128-I132 WeakPolarHBondContact O-CD1 3.28Å; Q128-I132 VanDerWaalsContact O-CG1 3.22Å; Q128-I132 WeakPolarHBondContact O-CG1 3.29Å; Q128-I132 PolarHBondContact O-N 3.22Å; I129-I132 PolarHBondContact O-N 3.14Å; I132-E135 PolarHBondContact O-N 3.29Å; I132-V136 HydrophobicContact CG2-CG2 3.86Å; I132-V136 WeakPolarHBondContact O-CB 3.41Å; I132-V136 WeakPolarHBondContact O-CG2 3.4Å; I132-V136 PolarHBondContact O-N 3.17Å |
| 133 | T | 90.1 | Very high | 88.5 | Confident | 63 Ų | 63 | 91.6 Ų | 91.6 | 39% | 0.387 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -48.8 | -178.6 | -62.4 | 0 | 0 | 0 | 0 | 114.1 | I129 T131 R137 | I129-T133 VanDerWaalsContact O-CB 3.23Å; I129-T133 WeakPolarHBondContact O-CB 3.42Å; I129-T133 PolarHBondContact O-N 2.89Å; I129-T133 PolarHBondContact O-OG1 3.09Å; T131-T133 PolarHBondContact O-N 2.8Å; T133-R137 WeakPolarHBondContact O-CB 3.39Å; T133-R137 PolarHBondContact O-N 3.07Å; T133-R137 VanDerWaalsContact O-N 3.14Å |
| 134 | P | 92.4 | Very high | 89.7 | Confident | 65 Ų | 65 | 85.5 Ų | 85.5 | 42% | 0.422 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.3 | -34.8 | 173.4 | 25.8 | -33.7 | 0 | 0 | 0 | 113.1 | D130 T131 R137 A138 | D130-P134 WeakPolarHBondContact O-CD 3.42Å; D130-P134 VanDerWaalsContact O-CG 3.31Å; D130-P134 WeakPolarHBondContact O-CG 3.47Å; T131-P134 VanDerWaalsContact O-CD 3.24Å; T131-P134 WeakPolarHBondContact O-CD 3.41Å; T131-P134 VanDerWaalsContact O-CG 3.28Å; T131-P134 WeakPolarHBondContact O-CG 3.43Å; P134-R137 PolarHBondContact O-N 3.03Å; P134-A138 WeakPolarHBondContact O-CB 3.21Å; P134-A138 PolarHBondContact O-N 2.88Å |
| 135 | E | 93.6 | Very high | 90.6 | Very high | 113 Ų | 113 | 88.7 Ų | 88.7 | 53% | 0.528 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.8 | -49.6 | 174.7 | -72.1 | 177.4 | -175.7 | 0 | 0 | 111.7 | T131 I132 R137 A138 L139 | T131-E135 WeakPolarHBondContact O-CG 3.46Å; I132-E135 PolarHBondContact O-N 3.29Å; E135-R137 VanDerWaalsContact C-N 3.28Å; E135-R137 PolarHBondContact O-N 3.32Å; E135-A138 WeakPolarHBondContact O-CB 3.43Å; E135-A138 PolarHBondContact O-N 3.24Å; E135-A138 VanDerWaalsContact O-N 3.1Å; E135-L139 WeakPolarHBondContact O-CG 3.49Å; E135-L139 PolarHBondContact O-N 3.39Å |
| 136 | V | 93.9 | Very high | 91.3 | Very high | 66 Ų | 66 | 90.6 Ų | 90.6 | 40% | 0.4 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 175.5 | 169.2 | 0 | 0 | 0 | 0 | 111 | I132 L139 Y140 | I132-V136 HydrophobicContact CG2-CG2 3.86Å; I132-V136 WeakPolarHBondContact O-CB 3.41Å; I132-V136 WeakPolarHBondContact O-CG2 3.4Å; I132-V136 PolarHBondContact O-N 3.17Å; V136-L139 PolarHBondContact O-N 2.88Å; V136-Y140 HydrophobicContact CG1-CD2 3.8Å; V136-Y140 HydrophobicContact CG1-CE2 3.66Å; V136-Y140 VanDerWaalsContact O-CD2 3.24Å; V136-Y140 WeakPolarHBondContact O-CD2 3.33Å; V136-Y140 PolarHBondContact O-N 3.01Å |
| 137 | R | 93.5 | Very high | 92.1 | Very high | 146 Ų | 146 | 94.2 Ų | 94.2 | 55% | 0.551 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.5 | -39.5 | 175.4 | -170.4 | 179.1 | -66.8 | 107.2 | -1.3 | 112.2 | T133 P134 E135 Y140 N141 | T133-R137 WeakPolarHBondContact O-CB 3.39Å; T133-R137 PolarHBondContact O-N 3.07Å; T133-R137 VanDerWaalsContact O-N 3.14Å; P134-R137 PolarHBondContact O-N 3.03Å; E135-R137 VanDerWaalsContact C-N 3.28Å; E135-R137 PolarHBondContact O-N 3.32Å; R137-Y140 PolarHBondContact O-N 3.25Å; R137-N141 PolarHBondContact O-N 2.78Å |
| 138 | A | 95.4 | Very high | 92.6 | Very high | 51 Ų | 51 | 96.9 Ų | 96.9 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | P134 E135 Y140 N141 V142 | P134-A138 WeakPolarHBondContact O-CB 3.21Å; P134-A138 PolarHBondContact O-N 2.88Å; E135-A138 WeakPolarHBondContact O-CB 3.43Å; E135-A138 PolarHBondContact O-N 3.24Å; E135-A138 VanDerWaalsContact O-N 3.1Å; A138-Y140 PolarHBondContact O-N 3.05Å; A138-N141 WeakPolarHBondContact O-CB 3.3Å; A138-N141 PolarHBondContact O-N 3.27Å; A138-N141 VanDerWaalsContact O-N 3.14Å; A138-V142 WeakPolarHBondContact O-CG2 3.35Å; A138-V142 PolarHBondContact O-N 3.37Å |
| 139 | L | 96.1 | Very high | 92.9 | Very high | 121 Ų | 121 | 94.4 Ų | 94.4 | 63% | 0.634 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61 | -41.2 | 175.3 | -69.1 | 172.6 | 0 | 0 | 0 | 112.3 | E135 V136 V142 L143 | E135-L139 WeakPolarHBondContact O-CG 3.49Å; E135-L139 PolarHBondContact O-N 3.39Å; V136-L139 PolarHBondContact O-N 2.88Å; L139-V142 PolarHBondContact O-N 3.45Å; L139-L143 WeakPolarHBondContact O-CB 3.45Å; L139-L143 PolarHBondContact O-N 2.93Å |
| 140 | Y | 95.3 | Very high | 93.2 | Very high | 159 Ų | 159 | 97.3 Ų | 97.3 | 62% | 0.624 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.8 | -39.6 | 172.8 | -85.5 | -65.3 | 0 | 0 | 0 | 112.7 | V136 R137 A138 L143 A144 | V136-Y140 HydrophobicContact CG1-CD2 3.8Å; V136-Y140 HydrophobicContact CG1-CE2 3.66Å; V136-Y140 VanDerWaalsContact O-CD2 3.24Å; V136-Y140 WeakPolarHBondContact O-CD2 3.33Å; V136-Y140 PolarHBondContact O-N 3.01Å; R137-Y140 PolarHBondContact O-N 3.25Å; A138-Y140 PolarHBondContact O-N 3.05Å; Y140-L143 PolarHBondContact O-N 2.96Å; Y140-A144 WeakPolarHBondContact O-CB 3.49Å; Y140-A144 PolarHBondContact O-N 3.07Å |
| 141 | N | 96.2 | Very high | 93.5 | Very high | 108 Ų | 108 | 95.1 Ų | 95.1 | 58% | 0.578 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.5 | -41.1 | 176.4 | -72.3 | -14.4 | 0 | 0 | 0 | 112.3 | R137 A138 A144 K145 | R137-N141 PolarHBondContact O-N 2.78Å; A138-N141 WeakPolarHBondContact O-CB 3.3Å; A138-N141 PolarHBondContact O-N 3.27Å; A138-N141 VanDerWaalsContact O-N 3.14Å; N141-A144 PolarHBondContact O-N 3.42Å; N141-K145 PolarHBondContact O-N 2.85Å |
| 142 | V | 97.1 | Very high | 93.5 | Very high | 86 Ų | 86 | 95.7 Ų | 95.7 | 52% | 0.521 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 174.2 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | A138 L139 A144 K145 V146 | A138-V142 WeakPolarHBondContact O-CG2 3.35Å; A138-V142 PolarHBondContact O-N 3.37Å; L139-V142 PolarHBondContact O-N 3.45Å; V142-A144 VanDerWaalsContact C-N 3.3Å; V142-A144 PolarHBondContact O-N 3.33Å; V142-K145 WeakPolarHBondContact O-CB 3.26Å; V142-K145 PolarHBondContact O-N 2.81Å; V142-K145 VanDerWaalsContact O-N 3.11Å; V142-V146 HydrophobicContact CG1-CG2 4.39Å; V142-V146 WeakPolarHBondContact O-CG2 3.27Å; V142-V146 PolarHBondContact O-N 3.28Å |
| 143 | L | 93 | Very high | 93.1 | Very high | 82 Ų | 82 | 99.4 Ų | 99.4 | 43% | 0.429 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61 | -37.7 | 175.5 | -179.6 | 61.3 | 0 | 0 | 0 | 112.2 | L139 Y140 K147 | L139-L143 WeakPolarHBondContact O-CB 3.45Å; L139-L143 PolarHBondContact O-N 2.93Å; Y140-L143 PolarHBondContact O-N 2.96Å; L143-K147 HydrophobicContact CG-CD 4.43Å; L143-K147 WeakPolarHBondContact O-CB 3.42Å; L143-K147 VanDerWaalsContact O-CG 3.27Å; L143-K147 WeakPolarHBondContact O-CG 3.36Å; L143-K147 PolarHBondContact O-N 3.18Å |
| 144 | A | 94.4 | Very high | 93 | Very high | 48 Ų | 48 | 101.3 Ų | 101.3 | 40% | 0.397 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.4 | -33.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y140 N141 V142 R148 | Y140-A144 WeakPolarHBondContact O-CB 3.49Å; Y140-A144 PolarHBondContact O-N 3.07Å; N141-A144 PolarHBondContact O-N 3.42Å; V142-A144 VanDerWaalsContact C-N 3.3Å; V142-A144 PolarHBondContact O-N 3.33Å; A144-R148 WeakPolarHBondContact O-CG 3.37Å; A144-R148 PolarHBondContact O-N 3.38Å; A144-R148 PolarHBondContact O-NE 2.82Å |
| 145 | K | 94.4 | Very high | 92.8 | Very high | 105 Ų | 105 | 104 Ų | 104 | 46% | 0.457 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -56 | 172.1 | -178.6 | -176 | 163.7 | 179.7 | 0 | 111 | N141 V142 K147 R148 E149 | N141-K145 PolarHBondContact O-N 2.85Å; V142-K145 WeakPolarHBondContact O-CB 3.26Å; V142-K145 PolarHBondContact O-N 2.81Å; V142-K145 VanDerWaalsContact O-N 3.11Å; K145-K147 VanDerWaalsContact C-N 3.27Å; K145-K147 PolarHBondContact O-N 2.76Å; K145-R148 PolarHBondContact O-N 2.93Å; K145-E149 VanDerWaalsContact CE-CD 3.4Å; K145-E149 WeakPolarHBondContact CE-OE1 3.49Å; K145-E149 WeakPolarHBondContact CE-OE2 3.45Å; K145-E149 HydrophobicContact CG-CG 4.5Å; K145-E149 IonicContact NZ-OE1 3.8Å; K145-E149 PolarHBondContact O-N 2.72Å |
| 146 | V | 95.8 | Very high | 92.6 | Very high | 80 Ų | 80 | 102.9 Ų | 102.9 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.1 | -36.8 | -178.7 | 173.9 | 0 | 0 | 0 | 0 | 112 | V142 E149 R150 | V142-V146 HydrophobicContact CG1-CG2 4.39Å; V142-V146 WeakPolarHBondContact O-CG2 3.27Å; V142-V146 PolarHBondContact O-N 3.28Å; V146-E149 PolarHBondContact O-N 3.12Å; V146-R150 VanDerWaalsContact O-CB 3.27Å; V146-R150 WeakPolarHBondContact O-CB 3.22Å; V146-R150 PolarHBondContact O-N 2.94Å |
| 147 | K | 93.1 | Very high | 92.5 | Very high | 109 Ų | 109 | 107.4 Ų | 107.4 | 47% | 0.474 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 173.4 | -79.5 | 175.5 | 178.9 | -178.1 | 0 | 112.3 | L143 K145 E149 R150 D151 | L143-K147 HydrophobicContact CG-CD 4.43Å; L143-K147 WeakPolarHBondContact O-CB 3.42Å; L143-K147 VanDerWaalsContact O-CG 3.27Å; L143-K147 WeakPolarHBondContact O-CG 3.36Å; L143-K147 PolarHBondContact O-N 3.18Å; K145-K147 VanDerWaalsContact C-N 3.27Å; K145-K147 PolarHBondContact O-N 2.76Å; K147-E149 VanDerWaalsContact C-N 3.34Å; K147-E149 PolarHBondContact O-N 3.21Å; K147-R150 PolarHBondContact O-N 2.87Å; K147-D151 WeakPolarHBondContact O-CB 3.23Å; K147-D151 PolarHBondContact O-N 2.74Å |
| 148 | R | 92.9 | Very high | 92.2 | Very high | 154 Ų | 154 | 104.5 Ų | 104.5 | 58% | 0.581 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.5 | -42.6 | 177.7 | -73.6 | -176.5 | -66.5 | 98.5 | -7.3 | 112.2 | A144 K145 D151 E152 | A144-R148 WeakPolarHBondContact O-CG 3.37Å; A144-R148 PolarHBondContact O-N 3.38Å; A144-R148 PolarHBondContact O-NE 2.82Å; K145-R148 PolarHBondContact O-N 2.93Å; R148-D151 PolarHBondContact O-N 2.9Å; R148-E152 WeakPolarHBondContact O-CB 3.45Å; R148-E152 PolarHBondContact O-N 2.82Å |
| 149 | E | 90.6 | Very high | 91.9 | Very high | 66 Ų | 66 | 106 Ų | 106 | 31% | 0.308 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 177.4 | -69.3 | 168.6 | 148.4 | 0 | 0 | 110.7 | K145 V146 K147 D151 E152 Y153 | K145-E149 VanDerWaalsContact CE-CD 3.4Å; K145-E149 WeakPolarHBondContact CE-OE1 3.49Å; K145-E149 WeakPolarHBondContact CE-OE2 3.45Å; K145-E149 HydrophobicContact CG-CG 4.5Å; K145-E149 IonicContact NZ-OE1 3.8Å; K145-E149 PolarHBondContact O-N 2.72Å; V146-E149 PolarHBondContact O-N 3.12Å; K147-E149 VanDerWaalsContact C-N 3.34Å; K147-E149 PolarHBondContact O-N 3.21Å; E149-D151 VanDerWaalsContact C-N 3.32Å; E149-D151 PolarHBondContact O-N 2.88Å; E149-E152 PolarHBondContact O-N 3.25Å; E149-E152 VanDerWaalsContact O-N 3.16Å; E149-Y153 HydrophobicContact CB-CE2 4.37Å; E149-Y153 WeakPolarHBondContact O-CD2 3.29Å; E149-Y153 PolarHBondContact O-N 2.86Å |
| 150 | R | 91.9 | Very high | 91.6 | Very high | 144 Ų | 144 | 105.3 Ų | 105.3 | 54% | 0.543 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.2 | -41.4 | 173 | -178 | -75.1 | -47.1 | -114.4 | 8.1 | 112.4 | V146 K147 E152 K154 | V146-R150 VanDerWaalsContact O-CB 3.27Å; V146-R150 WeakPolarHBondContact O-CB 3.22Å; V146-R150 PolarHBondContact O-N 2.94Å; K147-R150 PolarHBondContact O-N 2.87Å; R150-E152 VanDerWaalsContact C-N 3.35Å; R150-K154 WeakPolarHBondContact O-CB 3.39Å; R150-K154 PolarHBondContact O-N 3.4Å |
| 151 | D | 91.8 | Very high | 91.1 | Very high | 74 Ų | 74 | 100.6 Ų | 100.6 | 40% | 0.396 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -69.8 | -31 | 177.6 | -66.7 | -32.4 | 0 | 0 | 0 | 112.3 | K147 R148 E149 R155 | K147-D151 WeakPolarHBondContact O-CB 3.23Å; K147-D151 PolarHBondContact O-N 2.74Å; R148-D151 PolarHBondContact O-N 2.9Å; E149-D151 VanDerWaalsContact C-N 3.32Å; E149-D151 PolarHBondContact O-N 2.88Å; D151-R155 PolarHBondContact O-N 3.03Å; D151-R155 VanDerWaalsContact O-N 3.16Å |
| 152 | E | 89.4 | Confident | 90.8 | Very high | 81 Ų | 81 | 97.8 Ų | 97.8 | 38% | 0.379 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73.6 | -45.1 | 173.8 | -169.1 | -172.5 | 135.8 | 0 | 0 | 112.4 | R148 E149 R150 K154 R155 K156 | R148-E152 WeakPolarHBondContact O-CB 3.45Å; R148-E152 PolarHBondContact O-N 2.82Å; E149-E152 PolarHBondContact O-N 3.25Å; E149-E152 VanDerWaalsContact O-N 3.16Å; R150-E152 VanDerWaalsContact C-N 3.35Å; E152-K154 VanDerWaalsContact C-N 3.3Å; E152-K154 PolarHBondContact O-N 3.36Å; E152-R155 PolarHBondContact O-N 3.06Å; E152-K156 HydrophobicContact CG-CD 4.44Å; E152-K156 WeakPolarHBondContact O-CG 3.34Å; E152-K156 PolarHBondContact O-N 3.45Å; E152-K156 WeakPolarHBondContact OE1-CE 3.32Å; E152-K156 IonicContact OE1-NZ 2.68Å; E152-K156 PolarHBondContact OE1-NZ 3.37Å |
| 153 | Y | 84.7 | Confident | 90.4 | Very high | 166 Ų | 166 | 98.4 Ų | 98.4 | 65% | 0.651 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -61.5 | -38.7 | 173.2 | -72.8 | -61.5 | 0 | 0 | 0 | 111.8 | E149 K156 W157 | E149-Y153 HydrophobicContact CB-CE2 4.37Å; E149-Y153 WeakPolarHBondContact O-CD2 3.29Å; E149-Y153 PolarHBondContact O-N 2.86Å; Y153-K156 PolarHBondContact O-N 2.96Å; Y153-W157 WeakPolarHBondContact O-CB 3.42Å; Y153-W157 PolarHBondContact O-N 3.08Å |
| 154 | K | 87.5 | Confident | 90.3 | Very high | 103 Ų | 103 | 101.4 Ų | 101.4 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.8 | -49.1 | 173.2 | -178.4 | 179.4 | 174.9 | -74.1 | 0 | 111.1 | R150 E152 W157 E158 | R150-K154 WeakPolarHBondContact O-CB 3.39Å; R150-K154 PolarHBondContact O-N 3.4Å; E152-K154 VanDerWaalsContact C-N 3.3Å; E152-K154 PolarHBondContact O-N 3.36Å; K154-W157 PolarHBondContact O-N 2.96Å; K154-E158 WeakPolarHBondContact CE-OE1 3.49Å; K154-E158 IonicContact NZ-OE1 2.7Å; K154-E158 PolarHBondContact NZ-OE1 3.39Å; K154-E158 IonicContact NZ-OE2 2.74Å; K154-E158 PolarHBondContact NZ-OE2 2.92Å; K154-E158 WeakPolarHBondContact O-CG 3.36Å; K154-E158 PolarHBondContact O-N 2.95Å |
| 155 | R | 88.1 | Confident | 90.1 | Very high | 121 Ų | 121 | 104.2 Ų | 104.2 | 46% | 0.457 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | -179.6 | -155.5 | -163 | -31.2 | 94.9 | 4.1 | 112 | D151 E152 W157 E158 E159 | D151-R155 PolarHBondContact O-N 3.03Å; D151-R155 VanDerWaalsContact O-N 3.16Å; E152-R155 PolarHBondContact O-N 3.06Å; R155-W157 VanDerWaalsContact C-N 3.31Å; R155-W157 PolarHBondContact O-N 3.34Å; R155-E158 PolarHBondContact O-N 3.45Å; R155-E158 VanDerWaalsContact O-N 3.12Å; R155-E159 WeakPolarHBondContact CD-OE1 3.37Å; R155-E159 VanDerWaalsContact CG-OE1 3.23Å; R155-E159 WeakPolarHBondContact CG-OE1 3.35Å; R155-E159 IonicContact NH1-OE1 3.77Å; R155-E159 VanDerWaalsContact O-CG 3.28Å; R155-E159 WeakPolarHBondContact O-CG 3.44Å; R155-E159 PolarHBondContact O-N 2.9Å |
| 156 | K | 89 | Confident | 89.9 | Confident | 90 Ų | 90 | 105 Ų | 105 | 39% | 0.391 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 175.1 | -74 | 171.6 | 172.1 | 170 | 0 | 111.9 | E152 Y153 E159 E160 | E152-K156 HydrophobicContact CG-CD 4.44Å; E152-K156 WeakPolarHBondContact O-CG 3.34Å; E152-K156 PolarHBondContact O-N 3.45Å; E152-K156 WeakPolarHBondContact OE1-CE 3.32Å; E152-K156 IonicContact OE1-NZ 2.68Å; E152-K156 PolarHBondContact OE1-NZ 3.37Å; Y153-K156 PolarHBondContact O-N 2.96Å; K156-E159 PolarHBondContact O-N 3.22Å; K156-E160 WeakPolarHBondContact O-CG 3.14Å; K156-E160 PolarHBondContact O-N 3.27Å |
| 157 | W | 92.1 | Very high | 89.6 | Confident | 161 Ų | 161 | 106.7 Ų | 106.7 | 61% | 0.61 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.3 | -37.3 | 174.8 | 178.3 | 82.1 | 0 | 0 | 0 | 112.7 | Y153 K154 R155 L161 | Y153-W157 WeakPolarHBondContact O-CB 3.42Å; Y153-W157 PolarHBondContact O-N 3.08Å; K154-W157 PolarHBondContact O-N 2.96Å; R155-W157 VanDerWaalsContact C-N 3.31Å; R155-W157 PolarHBondContact O-N 3.34Å; W157-L161 HydrophobicContact CH2-CD2 3.68Å; W157-L161 HydrophobicContact CZ2-CD2 4.02Å; W157-L161 HydrophobicContact CZ3-CD2 4.13Å; W157-L161 VanDerWaalsContact O-CB 3.23Å; W157-L161 WeakPolarHBondContact O-CB 3.41Å; W157-L161 PolarHBondContact O-N 3.05Å |
| 158 | E | 87.5 | Confident | 89.5 | Confident | 86 Ų | 86 | 105.3 Ų | 105.3 | 40% | 0.402 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68.1 | -36.5 | 173.7 | -68.6 | 173.3 | 134.6 | 0 | 0 | 112.1 | K154 R155 S162 | K154-E158 WeakPolarHBondContact CE-OE1 3.49Å; K154-E158 IonicContact NZ-OE1 2.7Å; K154-E158 PolarHBondContact NZ-OE1 3.39Å; K154-E158 IonicContact NZ-OE2 2.74Å; K154-E158 PolarHBondContact NZ-OE2 2.92Å; K154-E158 WeakPolarHBondContact O-CG 3.36Å; K154-E158 PolarHBondContact O-N 2.95Å; R155-E158 PolarHBondContact O-N 3.45Å; R155-E158 VanDerWaalsContact O-N 3.12Å; E158-S162 PolarHBondContact O-N 3.25Å; E158-S162 VanDerWaalsContact O-N 3.12Å |
| 159 | E | 89.1 | Confident | 89.5 | Confident | 83 Ų | 83 | 101.4 Ų | 101.4 | 39% | 0.388 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65 | -50.2 | 173.2 | -70.4 | 158.9 | -152.5 | 0 | 0 | 111.7 | R155 K156 S162 K163 | R155-E159 WeakPolarHBondContact CD-OE1 3.37Å; R155-E159 VanDerWaalsContact CG-OE1 3.23Å; R155-E159 WeakPolarHBondContact CG-OE1 3.35Å; R155-E159 IonicContact NH1-OE1 3.77Å; R155-E159 VanDerWaalsContact O-CG 3.28Å; R155-E159 WeakPolarHBondContact O-CG 3.44Å; R155-E159 PolarHBondContact O-N 2.9Å; K156-E159 PolarHBondContact O-N 3.22Å; E159-S162 PolarHBondContact O-N 3.41Å; E159-K163 WeakPolarHBondContact O-CG 3.5Å; E159-K163 PolarHBondContact O-N 2.61Å |
| 160 | E | 89.9 | Confident | 89.5 | Confident | 106 Ų | 106 | 101.9 Ų | 101.9 | 50% | 0.495 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.2 | -33.7 | 178.1 | -64.4 | -46 | 132.6 | 0 | 0 | 113 | K156 K163 R164 | K156-E160 WeakPolarHBondContact O-CG 3.14Å; K156-E160 PolarHBondContact O-N 3.27Å; E160-K163 PolarHBondContact O-N 2.91Å; E160-K163 IonicContact OE1-NZ 2.64Å; E160-K163 PolarHBondContact OE1-NZ 3.35Å; E160-K163 WeakPolarHBondContact OE2-CD 3.34Å; E160-K163 IonicContact OE2-NZ 3.24Å; E160-K163 PolarHBondContact OE2-NZ 3.37Å; E160-R164 WeakPolarHBondContact O-CB 3.36Å; E160-R164 PolarHBondContact O-N 2.89Å |
| 161 | L | 84.2 | Confident | 89.6 | Confident | 59 Ų | 59 | 98.5 Ų | 98.5 | 31% | 0.309 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 172.8 | 178.8 | 63 | 0 | 0 | 0 | 110.8 | W157 K163 R164 E165 | W157-L161 HydrophobicContact CH2-CD2 3.68Å; W157-L161 HydrophobicContact CZ2-CD2 4.02Å; W157-L161 HydrophobicContact CZ3-CD2 4.13Å; W157-L161 VanDerWaalsContact O-CB 3.23Å; W157-L161 WeakPolarHBondContact O-CB 3.41Å; W157-L161 PolarHBondContact O-N 3.05Å; L161-K163 PolarHBondContact O-N 2.58Å; L161-R164 WeakPolarHBondContact O-CB 3.47Å; L161-R164 PolarHBondContact O-N 2.93Å; L161-R164 VanDerWaalsContact O-N 3.13Å; L161-E165 HydrophobicContact CD1-CG 4.41Å; L161-E165 WeakPolarHBondContact O-CG 3.48Å; L161-E165 PolarHBondContact O-N 2.84Å |
| 162 | S | 90.7 | Very high | 89.7 | Confident | 50 Ų | 50 | 101.2 Ų | 101.2 | 35% | 0.35 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.9 | -37.1 | 179.8 | -168.4 | 0 | 0 | 0 | 0 | 112.6 | E158 E159 R164 E165 Q166 | E158-S162 PolarHBondContact O-N 3.25Å; E158-S162 VanDerWaalsContact O-N 3.12Å; E159-S162 PolarHBondContact O-N 3.41Å; S162-R164 VanDerWaalsContact C-N 3.35Å; S162-E165 PolarHBondContact O-N 3.41Å; S162-Q166 VanDerWaalsContact O-CG 3.24Å; S162-Q166 WeakPolarHBondContact O-CG 3.5Å; S162-Q166 PolarHBondContact O-N 3.26Å; S162-Q166 PolarHBondContact OG-NE2 3.46Å |
| 163 | K | 87.6 | Confident | 90 | Very high | 98 Ų | 98 | 101 Ų | 101 | 43% | 0.426 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 170.5 | -69 | 171.1 | -169.4 | 172.8 | 0 | 111.9 | E159 E160 L161 Q166 L167 | E159-K163 WeakPolarHBondContact O-CG 3.5Å; E159-K163 PolarHBondContact O-N 2.61Å; E160-K163 PolarHBondContact O-N 2.91Å; E160-K163 IonicContact OE1-NZ 2.64Å; E160-K163 PolarHBondContact OE1-NZ 3.35Å; E160-K163 WeakPolarHBondContact OE2-CD 3.34Å; E160-K163 IonicContact OE2-NZ 3.24Å; E160-K163 PolarHBondContact OE2-NZ 3.37Å; L161-K163 PolarHBondContact O-N 2.58Å; K163-Q166 PolarHBondContact O-N 2.94Å; K163-L167 WeakPolarHBondContact O-CG 3.25Å; K163-L167 PolarHBondContact O-N 3.38Å |
| 164 | R | 90.9 | Very high | 90.4 | Very high | 145 Ų | 145 | 98.6 Ų | 98.6 | 55% | 0.547 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61 | -49.5 | 176.4 | -172.5 | -158.3 | 162.4 | 82.6 | 4.6 | 110.7 | E160 L161 S162 Q166 L167 E168 | E160-R164 WeakPolarHBondContact O-CB 3.36Å; E160-R164 PolarHBondContact O-N 2.89Å; L161-R164 WeakPolarHBondContact O-CB 3.47Å; L161-R164 PolarHBondContact O-N 2.93Å; L161-R164 VanDerWaalsContact O-N 3.13Å; S162-R164 VanDerWaalsContact C-N 3.35Å; R164-Q166 VanDerWaalsContact C-N 3.28Å; R164-Q166 PolarHBondContact O-N 3.34Å; R164-L167 PolarHBondContact O-N 3.36Å; R164-L167 VanDerWaalsContact O-N 3.11Å; R164-E168 WeakPolarHBondContact CD-OE2 3.48Å; R164-E168 HydrophobicContact CG-CG 4.3Å; R164-E168 WeakPolarHBondContact CG-OE2 3.36Å; R164-E168 IonicContact CZ-OE1 2.69Å; R164-E168 VanDerWaalsContact CZ-OE1 3.24Å; R164-E168 IonicContact CZ-OE2 2.76Å; R164-E168 IonicContact NE-OE1 3.2Å; R164-E168 PolarHBondContact NE-OE1 2.92Å; R164-E168 IonicContact NE-OE2 3.55Å; R164-E168 PolarHBondContact NE-OE2 3.27Å; R164-E168 IonicContact NH2-OE1 2.86Å; R164-E168 PolarHBondContact NH2-OE1 2.91Å; R164-E168 IonicContact NH2-OE2 3.76Å; R164-E168 WeakPolarHBondContact O-CB 3.4Å; R164-E168 WeakPolarHBondContact O-CG 3.45Å; R164-E168 PolarHBondContact O-N 2.91Å |
| 165 | E | 90.9 | Very high | 90.8 | Very high | 107 Ų | 107 | 99.8 Ų | 99.8 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.2 | -39.5 | 178.6 | -69.8 | 169.5 | 162.1 | 0 | 0 | 111.8 | L161 S162 S169 | L161-E165 HydrophobicContact CD1-CG 4.41Å; L161-E165 WeakPolarHBondContact O-CG 3.48Å; L161-E165 PolarHBondContact O-N 2.84Å; S162-E165 PolarHBondContact O-N 3.41Å; E165-S169 WeakPolarHBondContact O-CB 3.34Å; E165-S169 PolarHBondContact O-N 2.86Å |
| 166 | Q | 90.8 | Very high | 91.3 | Very high | 121 Ų | 121 | 99.7 Ų | 99.7 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.6 | -41 | 174.2 | -70.5 | 165.2 | 22.4 | 0 | 0 | 113.1 | S162 K163 R164 T170 | S162-Q166 VanDerWaalsContact O-CG 3.24Å; S162-Q166 WeakPolarHBondContact O-CG 3.5Å; S162-Q166 PolarHBondContact O-N 3.26Å; S162-Q166 PolarHBondContact OG-NE2 3.46Å; K163-Q166 PolarHBondContact O-N 2.94Å; R164-Q166 VanDerWaalsContact C-N 3.28Å; R164-Q166 PolarHBondContact O-N 3.34Å; Q166-T170 WeakPolarHBondContact O-CB 3.38Å; Q166-T170 PolarHBondContact O-N 2.88Å; Q166-T170 PolarHBondContact O-OG1 3.04Å |
| 167 | L | 88 | Confident | 91.5 | Very high | 117 Ų | 117 | 98.6 Ų | 98.6 | 61% | 0.613 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.6 | -38.3 | 176.8 | -72.1 | 171.6 | 0 | 0 | 0 | 111.9 | K163 R164 T170 V171 | K163-L167 WeakPolarHBondContact O-CG 3.25Å; K163-L167 PolarHBondContact O-N 3.38Å; R164-L167 PolarHBondContact O-N 3.36Å; R164-L167 VanDerWaalsContact O-N 3.11Å; L167-T170 PolarHBondContact O-N 3.34Å; L167-V171 WeakPolarHBondContact O-CB 3.4Å; L167-V171 WeakPolarHBondContact O-CG2 3.47Å; L167-V171 PolarHBondContact O-N 3.27Å |
| 168 | E | 91.8 | Very high | 91.5 | Very high | 79 Ų | 79 | 93.9 Ų | 93.9 | 37% | 0.369 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 174 | -74.1 | 179.9 | 120.9 | 0 | 0 | 110.5 | R164 T170 V171 E172 | R164-E168 WeakPolarHBondContact CD-OE2 3.48Å; R164-E168 HydrophobicContact CG-CG 4.3Å; R164-E168 WeakPolarHBondContact CG-OE2 3.36Å; R164-E168 IonicContact CZ-OE1 2.69Å; R164-E168 VanDerWaalsContact CZ-OE1 3.24Å; R164-E168 IonicContact CZ-OE2 2.76Å; R164-E168 IonicContact NE-OE1 3.2Å; R164-E168 PolarHBondContact NE-OE1 2.92Å; R164-E168 IonicContact NE-OE2 3.55Å; R164-E168 PolarHBondContact NE-OE2 3.27Å; R164-E168 IonicContact NH2-OE1 2.86Å; R164-E168 PolarHBondContact NH2-OE1 2.91Å; R164-E168 IonicContact NH2-OE2 3.76Å; R164-E168 WeakPolarHBondContact O-CB 3.4Å; R164-E168 WeakPolarHBondContact O-CG 3.45Å; R164-E168 PolarHBondContact O-N 2.91Å; E168-T170 VanDerWaalsContact C-N 3.32Å; E168-T170 PolarHBondContact O-N 2.64Å; E168-V171 PolarHBondContact O-N 3.41Å; E168-V171 VanDerWaalsContact O-N 3.15Å; E168-E172 WeakPolarHBondContact O-CG 3.34Å; E168-E172 PolarHBondContact O-N 3.24Å |
| 169 | S | 92.3 | Very high | 92 | Very high | 72 Ų | 72 | 94.8 Ų | 94.8 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -36.8 | 175.1 | 179.5 | 0 | 0 | 0 | 0 | 113.3 | E165 S173 | E165-S169 WeakPolarHBondContact O-CB 3.34Å; E165-S169 PolarHBondContact O-N 2.86Å; S169-S173 PolarHBondContact O-N 3.03Å; S169-S173 VanDerWaalsContact O-N 3.11Å |
| 170 | T | 91.9 | Very high | 92.3 | Very high | 76 Ų | 76 | 95 Ų | 95 | 47% | 0.466 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 174 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | Q166 L167 E168 S173 L174 | Q166-T170 WeakPolarHBondContact O-CB 3.38Å; Q166-T170 PolarHBondContact O-N 2.88Å; Q166-T170 PolarHBondContact O-OG1 3.04Å; L167-T170 PolarHBondContact O-N 3.34Å; E168-T170 VanDerWaalsContact C-N 3.32Å; E168-T170 PolarHBondContact O-N 2.64Å; T170-S173 PolarHBondContact O-N 3.25Å; T170-L174 HydrophobicContact CG2-CD1 4.12Å; T170-L174 WeakPolarHBondContact O-CG 3.49Å; T170-L174 PolarHBondContact O-N 3.35Å |
| 171 | V | 92.6 | Very high | 92.5 | Very high | 73 Ų | 73 | 93.4 Ų | 93.4 | 44% | 0.442 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -40.6 | 177.4 | 167.9 | 0 | 0 | 0 | 0 | 111.5 | L167 E168 S173 L174 Q175 | L167-V171 WeakPolarHBondContact O-CB 3.4Å; L167-V171 WeakPolarHBondContact O-CG2 3.47Å; L167-V171 PolarHBondContact O-N 3.27Å; E168-V171 PolarHBondContact O-N 3.41Å; E168-V171 VanDerWaalsContact O-N 3.15Å; V171-S173 PolarHBondContact O-N 3.07Å; V171-L174 PolarHBondContact O-N 3.06Å; V171-Q175 HydrophobicContact CG1-CG 4.36Å; V171-Q175 WeakPolarHBondContact O-CB 3.31Å; V171-Q175 VanDerWaalsContact O-CG 3.28Å; V171-Q175 WeakPolarHBondContact O-CG 3.41Å; V171-Q175 PolarHBondContact O-N 2.94Å |
| 172 | E | 95.6 | Very high | 93.1 | Very high | 131 Ų | 131 | 92.9 Ų | 92.9 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.8 | -44.7 | 174.3 | -72.8 | 175.5 | 166.8 | 0 | 0 | 111.5 | E168 Q175 Q176 | E168-E172 WeakPolarHBondContact O-CG 3.34Å; E168-E172 PolarHBondContact O-N 3.24Å; E172-Q175 PolarHBondContact O-N 3.44Å; E172-Q176 PolarHBondContact O-N 3.41Å |
| 173 | S | 95.2 | Very high | 93.4 | Very high | 77 Ų | 77 | 95.6 Ų | 95.6 | 54% | 0.538 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.1 | -177 | 0 | 0 | 0 | 0 | 112.9 | S169 T170 V171 Q175 Q176 S177 | S169-S173 PolarHBondContact O-N 3.03Å; S169-S173 VanDerWaalsContact O-N 3.11Å; T170-S173 PolarHBondContact O-N 3.25Å; V171-S173 PolarHBondContact O-N 3.07Å; S173-Q175 PolarHBondContact O-N 2.94Å; S173-Q176 PolarHBondContact O-N 3.44Å; S173-S177 PolarHBondContact O-N 3.14Å |
| 174 | L | 93.1 | Very high | 93.8 | Very high | 115 Ų | 115 | 96.4 Ų | 96.4 | 60% | 0.602 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.1 | -34.7 | 176.1 | -71 | 171.6 | 0 | 0 | 0 | 112.5 | T170 V171 A178 | T170-L174 HydrophobicContact CG2-CD1 4.12Å; T170-L174 WeakPolarHBondContact O-CG 3.49Å; T170-L174 PolarHBondContact O-N 3.35Å; V171-L174 PolarHBondContact O-N 3.06Å; L174-A178 VanDerWaalsContact O-CB 3.31Å; L174-A178 WeakPolarHBondContact O-CB 3.43Å; L174-A178 PolarHBondContact O-N 2.76Å |
| 175 | Q | 96.1 | Very high | 94.1 | Very high | 128 Ų | 128 | 95.4 Ų | 95.4 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.9 | -40.4 | 173.6 | -76.7 | 176.1 | 2.7 | 0 | 0 | 111.9 | V171 E172 S173 A178 Q179 | V171-Q175 HydrophobicContact CG1-CG 4.36Å; V171-Q175 WeakPolarHBondContact O-CB 3.31Å; V171-Q175 VanDerWaalsContact O-CG 3.28Å; V171-Q175 WeakPolarHBondContact O-CG 3.41Å; V171-Q175 PolarHBondContact O-N 2.94Å; E172-Q175 PolarHBondContact O-N 3.44Å; S173-Q175 PolarHBondContact O-N 2.94Å; Q175-A178 PolarHBondContact O-N 3.07Å; Q175-Q179 WeakPolarHBondContact O-CB 3.39Å; Q175-Q179 PolarHBondContact O-N 3.4Å |
| 176 | Q | 96.9 | Very high | 94.4 | Very high | 119 Ų | 119 | 95 Ų | 95 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -50.6 | 173.4 | -178.3 | -179.4 | -25.2 | 0 | 0 | 111.1 | E172 S173 A178 Q179 E180 | E172-Q176 PolarHBondContact O-N 3.41Å; S173-Q176 PolarHBondContact O-N 3.44Å; Q176-A178 VanDerWaalsContact C-N 3.29Å; Q176-A178 PolarHBondContact O-N 3.06Å; Q176-Q179 WeakPolarHBondContact O-CB 3.4Å; Q176-Q179 PolarHBondContact O-N 3.23Å; Q176-Q179 VanDerWaalsContact O-N 3.08Å; Q176-E180 HydrophobicContact CG-CG 4.43Å; Q176-E180 WeakPolarHBondContact CG-OE1 3.34Å; Q176-E180 PolarHBondContact NE2-OE1 2.82Å; Q176-E180 WeakPolarHBondContact O-CG 3.3Å; Q176-E180 PolarHBondContact O-N 2.95Å |
| 177 | S | 94.6 | Very high | 94.8 | Very high | 67 Ų | 67 | 94.2 Ų | 94.2 | 47% | 0.469 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.3 | -35.3 | 179.5 | -177 | 0 | 0 | 0 | 0 | 112.8 | S173 S181 | S173-S177 PolarHBondContact O-N 3.14Å; S177-S181 VanDerWaalsContact O-CB 3.29Å; S177-S181 WeakPolarHBondContact O-CB 3.29Å; S177-S181 PolarHBondContact O-N 2.86Å |
| 178 | A | 92.5 | Very high | 95.2 | Very high | 63 Ų | 63 | 93.6 Ų | 93.6 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.2 | -37.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L174 Q175 Q176 S182 | L174-A178 VanDerWaalsContact O-CB 3.31Å; L174-A178 WeakPolarHBondContact O-CB 3.43Å; L174-A178 PolarHBondContact O-N 2.76Å; Q175-A178 PolarHBondContact O-N 3.07Å; Q176-A178 VanDerWaalsContact C-N 3.29Å; Q176-A178 PolarHBondContact O-N 3.06Å; A178-S182 PolarHBondContact O-N 3.42Å |
| 179 | Q | 97 | Very high | 95.4 | Very high | 105 Ų | 105 | 93 Ų | 93 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.8 | -47.7 | 175 | 179 | 60.7 | 37.7 | 0 | 0 | 111.3 | Q175 Q176 S181 S182 E183 | Q175-Q179 WeakPolarHBondContact O-CB 3.39Å; Q175-Q179 PolarHBondContact O-N 3.4Å; Q176-Q179 WeakPolarHBondContact O-CB 3.4Å; Q176-Q179 PolarHBondContact O-N 3.23Å; Q176-Q179 VanDerWaalsContact O-N 3.08Å; Q179-S181 VanDerWaalsContact C-N 3.3Å; Q179-S181 PolarHBondContact O-N 2.98Å; Q179-S182 WeakPolarHBondContact O-CB 3.46Å; Q179-S182 PolarHBondContact O-N 2.99Å; Q179-S182 VanDerWaalsContact O-N 3.09Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.45Å; Q179-E183 PolarHBondContact NE2-OE1 2.93Å; Q179-E183 WeakPolarHBondContact O-CG 3.49Å; Q179-E183 PolarHBondContact O-N 2.76Å |
| 180 | E | 95.4 | Very high | 95.7 | Very high | 87 Ų | 87 | 94.8 Ų | 94.8 | 41% | 0.407 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 175.5 | -69.5 | 167 | 175.2 | 0 | 0 | 111.5 | Q176 E183 I184 | Q176-E180 HydrophobicContact CG-CG 4.43Å; Q176-E180 WeakPolarHBondContact CG-OE1 3.34Å; Q176-E180 PolarHBondContact NE2-OE1 2.82Å; Q176-E180 WeakPolarHBondContact O-CG 3.3Å; Q176-E180 PolarHBondContact O-N 2.95Å; E180-E183 PolarHBondContact O-N 3.1Å; E180-I184 WeakPolarHBondContact O-CG1 3.43Å; E180-I184 PolarHBondContact O-N 3.43Å |
| 181 | S | 94.9 | Very high | 96 | Very high | 72 Ų | 72 | 95.4 Ų | 95.4 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 174.3 | -171.4 | 0 | 0 | 0 | 0 | 112.6 | S177 Q179 I184 Q185 | S177-S181 VanDerWaalsContact O-CB 3.29Å; S177-S181 WeakPolarHBondContact O-CB 3.29Å; S177-S181 PolarHBondContact O-N 2.86Å; Q179-S181 VanDerWaalsContact C-N 3.3Å; Q179-S181 PolarHBondContact O-N 2.98Å; S181-I184 PolarHBondContact O-N 2.91Å; S181-Q185 WeakPolarHBondContact O-CB 3.46Å; S181-Q185 PolarHBondContact O-N 3.3Å |
| 182 | S | 96.4 | Very high | 96.3 | Very high | 49 Ų | 49 | 94.9 Ų | 94.9 | 34% | 0.343 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 175.1 | -166.2 | 0 | 0 | 0 | 0 | 112 | A178 Q179 Q185 D186 | A178-S182 PolarHBondContact O-N 3.42Å; Q179-S182 WeakPolarHBondContact O-CB 3.46Å; Q179-S182 PolarHBondContact O-N 2.99Å; Q179-S182 VanDerWaalsContact O-N 3.09Å; S182-Q185 WeakPolarHBondContact O-CB 3.32Å; S182-Q185 PolarHBondContact O-N 2.93Å; S182-D186 PolarHBondContact O-N 3.22Å |
| 183 | E | 97.8 | Very high | 96.4 | Very high | 107 Ų | 107 | 92.6 Ų | 92.6 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 177.5 | -71.2 | 171 | -162.5 | 0 | 0 | 111.3 | Q179 E180 D186 E187 | Q179-E183 WeakPolarHBondContact CG-OE1 3.45Å; Q179-E183 PolarHBondContact NE2-OE1 2.93Å; Q179-E183 WeakPolarHBondContact O-CG 3.49Å; Q179-E183 PolarHBondContact O-N 2.76Å; E180-E183 PolarHBondContact O-N 3.1Å; E183-D186 PolarHBondContact O-N 3.37Å; E183-E187 PolarHBondContact O-N 2.89Å |
| 184 | I | 95.6 | Very high | 96.6 | Very high | 114 Ų | 114 | 93.9 Ų | 93.9 | 59% | 0.585 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.6 | -38 | 172.7 | -66.6 | 164.9 | 0 | 0 | 0 | 111.6 | E180 S181 L188 | E180-I184 WeakPolarHBondContact O-CG1 3.43Å; E180-I184 PolarHBondContact O-N 3.43Å; S181-I184 PolarHBondContact O-N 2.91Å; I184-L188 WeakPolarHBondContact O-CB 3.5Å; I184-L188 PolarHBondContact O-N 2.97Å |
| 185 | Q | 96.9 | Very high | 96.8 | Very high | 124 Ų | 124 | 93.5 Ų | 93.5 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.9 | -41.6 | 176.5 | -172 | -173.6 | -73.1 | 0 | 0 | 112 | S181 S182 L188 T189 | S181-Q185 WeakPolarHBondContact O-CB 3.46Å; S181-Q185 PolarHBondContact O-N 3.3Å; S182-Q185 WeakPolarHBondContact O-CB 3.32Å; S182-Q185 PolarHBondContact O-N 2.93Å; Q185-L188 PolarHBondContact O-N 2.71Å; Q185-T189 WeakPolarHBondContact O-CB 3.28Å; Q185-T189 PolarHBondContact O-N 3.38Å; Q185-T189 PolarHBondContact O-OG1 2.71Å |
| 186 | D | 97.4 | Very high | 96.9 | Very high | 98 Ų | 98 | 92.9 Ų | 92.9 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.7 | -44 | 176.8 | -74.5 | -22.7 | 0 | 0 | 0 | 111 | S182 E183 L188 T189 E190 | S182-D186 PolarHBondContact O-N 3.22Å; E183-D186 PolarHBondContact O-N 3.37Å; D186-L188 VanDerWaalsContact C-N 3.34Å; D186-L188 PolarHBondContact O-N 2.81Å; D186-T189 PolarHBondContact O-N 3.08Å; D186-E190 PolarHBondContact O-N 2.97Å |
| 187 | E | 98.1 | Very high | 97 | Very high | 106 Ų | 106 | 90 Ų | 90 | 50% | 0.495 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -55.6 | -45.7 | 171 | -90.9 | -160 | -150.4 | 0 | 0 | 112.5 | E183 T189 E190 K191 | E183-E187 PolarHBondContact O-N 2.89Å; E187-T189 VanDerWaalsContact C-N 3.35Å; E187-E190 PolarHBondContact O-N 3.1Å; E187-K191 WeakPolarHBondContact O-CD 3.48Å; E187-K191 VanDerWaalsContact O-CG 3.23Å; E187-K191 WeakPolarHBondContact O-CG 3.39Å; E187-K191 PolarHBondContact O-N 2.76Å; E187-K191 WeakPolarHBondContact OE2-CE 3.4Å; E187-K191 IonicContact OE2-NZ 2.72Å; E187-K191 PolarHBondContact OE2-NZ 2.92Å |
| 188 | L | 97.1 | Very high | 97.1 | Very high | 103 Ų | 103 | 91.4 Ų | 91.4 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.6 | -37.6 | -179.9 | -176.1 | 60 | 0 | 0 | 0 | 111.4 | I184 Q185 D186 K191 V192 | I184-L188 WeakPolarHBondContact O-CB 3.5Å; I184-L188 PolarHBondContact O-N 2.97Å; Q185-L188 PolarHBondContact O-N 2.71Å; D186-L188 VanDerWaalsContact C-N 3.34Å; D186-L188 PolarHBondContact O-N 2.81Å; L188-K191 PolarHBondContact O-N 3.33Å; L188-V192 WeakPolarHBondContact O-CB 3.5Å; L188-V192 VanDerWaalsContact O-CG2 3.32Å; L188-V192 WeakPolarHBondContact O-CG2 3.41Å; L188-V192 PolarHBondContact O-N 2.98Å |
| 189 | T | 96.8 | Very high | 97.4 | Very high | 68 Ų | 68 | 94 Ų | 94 | 42% | 0.417 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 174.4 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | Q185 D186 E187 V192 D193 | Q185-T189 WeakPolarHBondContact O-CB 3.28Å; Q185-T189 PolarHBondContact O-N 3.38Å; Q185-T189 PolarHBondContact O-OG1 2.71Å; D186-T189 PolarHBondContact O-N 3.08Å; E187-T189 VanDerWaalsContact C-N 3.35Å; T189-V192 PolarHBondContact O-N 3.33Å; T189-D193 PolarHBondContact O-N 3.08Å |
| 190 | E | 98.4 | Very high | 97.4 | Very high | 108 Ų | 108 | 93.8 Ų | 93.8 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 175.9 | -158.5 | -149.5 | -178.4 | 0 | 0 | 112.3 | D186 E187 V192 D193 R194 | D186-E190 PolarHBondContact O-N 2.97Å; E187-E190 PolarHBondContact O-N 3.1Å; E190-V192 VanDerWaalsContact C-N 3.35Å; E190-D193 PolarHBondContact O-N 2.89Å; E190-R194 VanDerWaalsContact CD-CZ 3.43Å; E190-R194 PolarHBondContact O-N 3.34Å; E190-R194 IonicContact OE1-CZ 3.12Å; E190-R194 IonicContact OE1-NH1 2.74Å; E190-R194 PolarHBondContact OE1-NH1 3.09Å; E190-R194 IonicContact OE2-CZ 2.93Å; E190-R194 IonicContact OE2-NH1 2.74Å; E190-R194 PolarHBondContact OE2-NH1 3.01Å; E190-R194 IonicContact OE2-NH2 3.76Å; E190-R194 PolarHBondContact OE2-NH2 3.01Å |
| 191 | K | 98.3 | Very high | 97.5 | Very high | 90 Ų | 90 | 94.1 Ų | 94.1 | 39% | 0.391 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 171.5 | -71.5 | 161.2 | -168.9 | 161.2 | 0 | 111.1 | E187 L188 L195 | E187-K191 WeakPolarHBondContact O-CD 3.48Å; E187-K191 VanDerWaalsContact O-CG 3.23Å; E187-K191 WeakPolarHBondContact O-CG 3.39Å; E187-K191 PolarHBondContact O-N 2.76Å; E187-K191 WeakPolarHBondContact OE2-CE 3.4Å; E187-K191 IonicContact OE2-NZ 2.72Å; E187-K191 PolarHBondContact OE2-NZ 2.92Å; L188-K191 PolarHBondContact O-N 3.33Å; K191-L195 WeakPolarHBondContact O-CG 3.39Å; K191-L195 PolarHBondContact O-N 2.82Å; K191-L195 VanDerWaalsContact O-N 3.08Å |
| 192 | V | 98.4 | Very high | 97.7 | Very high | 61 Ų | 61 | 96.7 Ų | 96.7 | 37% | 0.37 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.4 | 162.5 | 0 | 0 | 0 | 0 | 112 | L188 T189 E190 L195 K196 | L188-V192 WeakPolarHBondContact O-CB 3.5Å; L188-V192 VanDerWaalsContact O-CG2 3.32Å; L188-V192 WeakPolarHBondContact O-CG2 3.41Å; L188-V192 PolarHBondContact O-N 2.98Å; T189-V192 PolarHBondContact O-N 3.33Å; E190-V192 VanDerWaalsContact C-N 3.35Å; V192-L195 PolarHBondContact O-N 3.35Å; V192-K196 HydrophobicContact CG1-CD 4.41Å; V192-K196 VanDerWaalsContact CG1-CE 3.44Å; V192-K196 WeakPolarHBondContact O-CG 3.31Å; V192-K196 PolarHBondContact O-N 2.87Å |
| 193 | D | 98.2 | Very high | 97.7 | Very high | 83 Ų | 83 | 102.1 Ų | 102.1 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.2 | -32.6 | 180 | -79.3 | -6.5 | 0 | 0 | 0 | 113.2 | T189 E190 K196 A197 | T189-D193 PolarHBondContact O-N 3.08Å; E190-D193 PolarHBondContact O-N 2.89Å; D193-K196 PolarHBondContact O-N 2.69Å; D193-K196 WeakPolarHBondContact OD1-CD 3.44Å; D193-K196 WeakPolarHBondContact OD1-CE 3.41Å; D193-K196 IonicContact OD1-NZ 2.59Å; D193-K196 PolarHBondContact OD1-NZ 3.38Å; D193-A197 PolarHBondContact O-N 3.24Å |
| 194 | R | 98.2 | Very high | 97.7 | Very high | 104 Ų | 104 | 99.7 Ų | 99.7 | 39% | 0.392 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.3 | -51.5 | 165.8 | -80.5 | -175.9 | -75.1 | -108.2 | -11.1 | 111.7 | E190 K196 A197 E198 | E190-R194 VanDerWaalsContact CD-CZ 3.43Å; E190-R194 PolarHBondContact O-N 3.34Å; E190-R194 IonicContact OE1-CZ 3.12Å; E190-R194 IonicContact OE1-NH1 2.74Å; E190-R194 PolarHBondContact OE1-NH1 3.09Å; E190-R194 IonicContact OE2-CZ 2.93Å; E190-R194 IonicContact OE2-NH1 2.74Å; E190-R194 PolarHBondContact OE2-NH1 3.01Å; E190-R194 IonicContact OE2-NH2 3.76Å; E190-R194 PolarHBondContact OE2-NH2 3.01Å; R194-K196 VanDerWaalsContact C-N 3.31Å; R194-K196 PolarHBondContact O-N 3.14Å; R194-A197 WeakPolarHBondContact O-CB 3.32Å; R194-A197 PolarHBondContact O-N 3.25Å; R194-E198 PolarHBondContact O-N 2.88Å |
| 195 | L | 98.3 | Very high | 97.7 | Very high | 107 Ų | 107 | 98.4 Ų | 98.4 | 56% | 0.56 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.5 | -34.9 | 179.6 | -70.9 | 170.1 | 0 | 0 | 0 | 112.7 | K191 V192 L199 | K191-L195 WeakPolarHBondContact O-CG 3.39Å; K191-L195 PolarHBondContact O-N 2.82Å; K191-L195 VanDerWaalsContact O-N 3.08Å; V192-L195 PolarHBondContact O-N 3.35Å; L195-L199 VanDerWaalsContact O-CB 3.26Å; L195-L199 WeakPolarHBondContact O-CB 3.49Å; L195-L199 PolarHBondContact O-N 3.03Å |
| 196 | K | 98.3 | Very high | 97.6 | Very high | 115 Ų | 115 | 97.8 Ų | 97.8 | 50% | 0.5 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 170.4 | -72.1 | 170.8 | -164.7 | 156.8 | 0 | 111.7 | V192 D193 R194 L199 V200 | V192-K196 HydrophobicContact CG1-CD 4.41Å; V192-K196 VanDerWaalsContact CG1-CE 3.44Å; V192-K196 WeakPolarHBondContact O-CG 3.31Å; V192-K196 PolarHBondContact O-N 2.87Å; D193-K196 PolarHBondContact O-N 2.69Å; D193-K196 WeakPolarHBondContact OD1-CD 3.44Å; D193-K196 WeakPolarHBondContact OD1-CE 3.41Å; D193-K196 IonicContact OD1-NZ 2.59Å; D193-K196 PolarHBondContact OD1-NZ 3.38Å; R194-K196 VanDerWaalsContact C-N 3.31Å; R194-K196 PolarHBondContact O-N 3.14Å; K196-L199 PolarHBondContact O-N 3.27Å; K196-V200 WeakPolarHBondContact O-CG2 3.48Å; K196-V200 PolarHBondContact O-N 2.78Å |
| 197 | A | 98.1 | Very high | 97.5 | Very high | 58 Ų | 58 | 96.1 Ų | 96.1 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D193 R194 V200 V201 | D193-A197 PolarHBondContact O-N 3.24Å; R194-A197 WeakPolarHBondContact O-CB 3.32Å; R194-A197 PolarHBondContact O-N 3.25Å; A197-V200 PolarHBondContact O-N 3.04Å; A197-V201 WeakPolarHBondContact O-CG2 3.48Å; A197-V201 PolarHBondContact O-N 3.47Å |
| 198 | E | 98 | Very high | 97.3 | Very high | 97 Ų | 97 | 95.9 Ų | 95.9 | 45% | 0.453 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 174 | -71.6 | 171.2 | -153.5 | 0 | 0 | 111.6 | R194 V200 V201 F202 | R194-E198 PolarHBondContact O-N 2.88Å; E198-V200 VanDerWaalsContact C-N 3.28Å; E198-V200 PolarHBondContact O-N 3.09Å; E198-V201 PolarHBondContact O-N 3.06Å; E198-F202 HydrophobicContact CB-CD2 4.48Å; E198-F202 HydrophobicContact CB-CE2 4.4Å; E198-F202 WeakPolarHBondContact O-CD2 3.41Å; E198-F202 PolarHBondContact O-N 2.77Å |
| 199 | L | 97.8 | Very high | 97.2 | Very high | 119 Ų | 119 | 96 Ų | 96 | 62% | 0.623 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.5 | -36.8 | 176.9 | -179.1 | 63.2 | 0 | 0 | 0 | 112.6 | L195 K196 K203 | L195-L199 VanDerWaalsContact O-CB 3.26Å; L195-L199 WeakPolarHBondContact O-CB 3.49Å; L195-L199 PolarHBondContact O-N 3.03Å; K196-L199 PolarHBondContact O-N 3.27Å; L199-K203 VanDerWaalsContact O-CB 3.27Å; L199-K203 WeakPolarHBondContact O-CB 3.31Å; L199-K203 PolarHBondContact O-N 3.46Å |
| 200 | V | 97.9 | Very high | 97.1 | Very high | 99 Ų | 99 | 98.4 Ų | 98.4 | 60% | 0.6 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.3 | -44.6 | 173.2 | 169 | 0 | 0 | 0 | 0 | 110.9 | K196 A197 E198 K203 S204 | K196-V200 WeakPolarHBondContact O-CG2 3.48Å; K196-V200 PolarHBondContact O-N 2.78Å; A197-V200 PolarHBondContact O-N 3.04Å; E198-V200 VanDerWaalsContact C-N 3.28Å; E198-V200 PolarHBondContact O-N 3.09Å; V200-K203 PolarHBondContact O-N 3.32Å; V200-S204 PolarHBondContact O-N 3Å; V200-S204 PolarHBondContact O-OG 3.49Å; V200-S204 VanDerWaalsContact O-OG 3.12Å |
| 201 | V | 97.7 | Very high | 96.9 | Very high | 94 Ų | 94 | 96.8 Ų | 96.8 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.2 | -47.8 | 178 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | A197 E198 K203 S204 L205 | A197-V201 WeakPolarHBondContact O-CG2 3.48Å; A197-V201 PolarHBondContact O-N 3.47Å; E198-V201 PolarHBondContact O-N 3.06Å; V201-K203 VanDerWaalsContact C-N 3.3Å; V201-K203 PolarHBondContact O-N 2.97Å; V201-S204 WeakPolarHBondContact CA-OG 3.35Å; V201-S204 PolarHBondContact O-N 3.29Å; V201-S204 PolarHBondContact O-OG 2.74Å; V201-L205 PolarHBondContact O-N 3Å |
| 202 | F | 97.6 | Very high | 96.8 | Very high | 127 Ų | 127 | 95.9 Ų | 95.9 | 56% | 0.557 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.1 | -42.1 | 174.3 | -77.6 | -64 | 0 | 0 | 0 | 111.8 | E198 L205 M206 | E198-F202 HydrophobicContact CB-CD2 4.48Å; E198-F202 HydrophobicContact CB-CE2 4.4Å; E198-F202 WeakPolarHBondContact O-CD2 3.41Å; E198-F202 PolarHBondContact O-N 2.77Å; F202-L205 PolarHBondContact O-N 3.41Å; F202-M206 VanDerWaalsContact O-CG 3.29Å; F202-M206 WeakPolarHBondContact O-CG 3.37Å; F202-M206 PolarHBondContact O-N 2.7Å |
| 203 | K | 97.7 | Very high | 96.7 | Very high | 162 Ų | 162 | 97.6 Ų | 97.6 | 70% | 0.704 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.1 | -38.9 | 178.5 | -173.9 | 174.7 | 179.8 | 178.4 | 0 | 113 | L199 V200 V201 S207 | L199-K203 VanDerWaalsContact O-CB 3.27Å; L199-K203 WeakPolarHBondContact O-CB 3.31Å; L199-K203 PolarHBondContact O-N 3.46Å; V200-K203 PolarHBondContact O-N 3.32Å; V201-K203 VanDerWaalsContact C-N 3.3Å; V201-K203 PolarHBondContact O-N 2.97Å; K203-S207 WeakPolarHBondContact O-CB 3.49Å; K203-S207 PolarHBondContact O-N 2.97Å |
| 204 | S | 96.2 | Very high | 96.6 | Very high | 56 Ų | 56 | 97.5 Ų | 97.5 | 39% | 0.392 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -48 | 171.8 | 37.8 | 0 | 0 | 0 | 0 | 111.6 | V200 V201 M206 S207 D208 | V200-S204 PolarHBondContact O-N 3Å; V200-S204 PolarHBondContact O-OG 3.49Å; V200-S204 VanDerWaalsContact O-OG 3.12Å; V201-S204 WeakPolarHBondContact CA-OG 3.35Å; V201-S204 PolarHBondContact O-N 3.29Å; V201-S204 PolarHBondContact O-OG 2.74Å; S204-M206 PolarHBondContact O-N 3.33Å; S204-S207 WeakPolarHBondContact O-CB 3.42Å; S204-S207 PolarHBondContact O-N 3.36Å; S204-D208 VanDerWaalsContact O-CG 3.31Å; S204-D208 PolarHBondContact O-N 3.35Å |
| 205 | L | 96.4 | Very high | 96.6 | Very high | 88 Ų | 88 | 95.7 Ų | 95.7 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.3 | -48.8 | -178 | -175.3 | 65.8 | 0 | 0 | 0 | 112 | V201 F202 S207 D208 E209 | V201-L205 PolarHBondContact O-N 3Å; F202-L205 PolarHBondContact O-N 3.41Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 3.5Å; L205-D208 PolarHBondContact O-N 3.11Å; L205-E209 PolarHBondContact O-N 2.91Å |
| 206 | M | 94.2 | Very high | 96.6 | Very high | 110 Ų | 110 | 95.9 Ų | 95.9 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.3 | -32.6 | 177.1 | -63.6 | -69.8 | 95.6 | 0 | 0 | 112.9 | F202 S204 E209 M210 | F202-M206 VanDerWaalsContact O-CG 3.29Å; F202-M206 WeakPolarHBondContact O-CG 3.37Å; F202-M206 PolarHBondContact O-N 2.7Å; S204-M206 PolarHBondContact O-N 3.33Å; M206-E209 WeakPolarHBondContact CE-OE2 3.47Å; M206-M210 VanDerWaalsContact O-CB 3.28Å; M206-M210 WeakPolarHBondContact O-CB 3.49Å; M206-M210 PolarHBondContact O-N 3.32Å |
| 207 | S | 95 | Very high | 96.5 | Very high | 64 Ų | 64 | 95.5 Ų | 95.5 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.2 | -38.2 | 175.8 | -172.6 | 0 | 0 | 0 | 0 | 112.2 | K203 S204 L205 T211 | K203-S207 WeakPolarHBondContact O-CB 3.49Å; K203-S207 PolarHBondContact O-N 2.97Å; S204-S207 WeakPolarHBondContact O-CB 3.42Å; S204-S207 PolarHBondContact O-N 3.36Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 3.5Å; S207-T211 WeakPolarHBondContact O-CB 3.32Å; S207-T211 WeakPolarHBondContact O-CG2 3.18Å; S207-T211 PolarHBondContact O-N 3.47Å; S207-T211 PolarHBondContact O-OG1 2.88Å |
| 208 | D | 93.9 | Very high | 96.5 | Very high | 100 Ų | 100 | 97.9 Ų | 97.9 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.7 | -43.4 | 179.8 | -68.1 | -17 | 0 | 0 | 0 | 110.8 | S204 L205 M210 T211 D212 | S204-D208 VanDerWaalsContact O-CG 3.31Å; S204-D208 PolarHBondContact O-N 3.35Å; L205-D208 PolarHBondContact O-N 3.11Å; D208-M210 PolarHBondContact O-N 3.49Å; D208-T211 PolarHBondContact O-N 3.29Å; D208-T211 PolarHBondContact O-OG1 3.36Å; D208-D212 WeakPolarHBondContact O-CB 3.3Å; D208-D212 PolarHBondContact O-N 2.9Å |
| 209 | E | 95.9 | Very high | 96.5 | Very high | 105 Ų | 105 | 96.9 Ų | 96.9 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 173.5 | -70.8 | -168.3 | 122.8 | 0 | 0 | 112.3 | L205 M206 L213 | L205-E209 PolarHBondContact O-N 2.91Å; M206-E209 WeakPolarHBondContact CE-OE2 3.47Å; E209-L213 WeakPolarHBondContact O-CB 3.3Å; E209-L213 WeakPolarHBondContact O-CG 3.21Å; E209-L213 PolarHBondContact O-N 3.11Å |
| 210 | M | 94.5 | Very high | 96.4 | Very high | 119 Ų | 119 | 97.6 Ų | 97.6 | 59% | 0.586 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.2 | -42.2 | 177.7 | -169.7 | 68.9 | 170.2 | 0 | 0 | 112 | M206 D208 L213 D214 | M206-M210 VanDerWaalsContact O-CB 3.28Å; M206-M210 WeakPolarHBondContact O-CB 3.49Å; M206-M210 PolarHBondContact O-N 3.32Å; D208-M210 PolarHBondContact O-N 3.49Å; M210-L213 PolarHBondContact O-N 3.47Å; M210-D214 PolarHBondContact O-N 2.82Å |
| 211 | T | 94.8 | Very high | 96.4 | Very high | 74 Ų | 74 | 95 Ų | 95 | 45% | 0.454 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -75.2 | -28.9 | -179.4 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | S207 D208 S215 | S207-T211 WeakPolarHBondContact O-CB 3.32Å; S207-T211 WeakPolarHBondContact O-CG2 3.18Å; S207-T211 PolarHBondContact O-N 3.47Å; S207-T211 PolarHBondContact O-OG1 2.88Å; D208-T211 PolarHBondContact O-N 3.29Å; D208-T211 PolarHBondContact O-OG1 3.36Å; T211-S215 VanDerWaalsContact O-CB 3.23Å; T211-S215 WeakPolarHBondContact O-CB 3.32Å; T211-S215 PolarHBondContact O-N 3.34Å; T211-S215 PolarHBondContact O-OG 3.22Å |
| 212 | D | 96.6 | Very high | 96.4 | Very high | 72 Ų | 72 | 96.5 Ų | 96.5 | 39% | 0.385 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 168.3 | 169.1 | 59.5 | 0 | 0 | 0 | 111.9 | D208 S215 K216 | D208-D212 WeakPolarHBondContact O-CB 3.3Å; D208-D212 PolarHBondContact O-N 2.9Å; D212-S215 WeakPolarHBondContact O-CB 3.24Å; D212-S215 PolarHBondContact O-N 3.04Å; D212-K216 VanDerWaalsContact CG-NZ 3.33Å; D212-K216 WeakPolarHBondContact O-CB 3.39Å; D212-K216 VanDerWaalsContact O-CG 3.3Å; D212-K216 WeakPolarHBondContact O-CG 3.35Å; D212-K216 PolarHBondContact O-N 3.31Å; D212-K216 WeakPolarHBondContact OD1-CE 3.42Å; D212-K216 IonicContact OD1-NZ 3.29Å; D212-K216 PolarHBondContact OD1-NZ 2.89Å; D212-K216 VanDerWaalsContact OD2-CE 3.3Å; D212-K216 WeakPolarHBondContact OD2-CE 3.33Å; D212-K216 IonicContact OD2-NZ 2.59Å; D212-K216 PolarHBondContact OD2-NZ 2.8Å |
| 213 | L | 95.9 | Very high | 96.4 | Very high | 97 Ų | 97 | 96.7 Ų | 96.7 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 172.9 | -76.5 | 170.2 | 0 | 0 | 0 | 112.1 | E209 M210 S215 K216 I217 | E209-L213 WeakPolarHBondContact O-CB 3.3Å; E209-L213 WeakPolarHBondContact O-CG 3.21Å; E209-L213 PolarHBondContact O-N 3.11Å; M210-L213 PolarHBondContact O-N 3.47Å; L213-S215 VanDerWaalsContact C-N 3.3Å; L213-S215 PolarHBondContact O-N 3.37Å; L213-K216 WeakPolarHBondContact O-CB 3.38Å; L213-K216 PolarHBondContact O-N 2.89Å; L213-I217 VanDerWaalsContact O-CG1 3.3Å; L213-I217 WeakPolarHBondContact O-CG1 3.23Å; L213-I217 PolarHBondContact O-N 3.32Å |
| 214 | D | 96.6 | Very high | 96.4 | Very high | 80 Ų | 80 | 93 Ų | 93 | 43% | 0.428 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.3 | -40.5 | 174.9 | -102.9 | -6.7 | 0 | 0 | 0 | 111.7 | M210 K216 I217 Q218 | M210-D214 PolarHBondContact O-N 2.82Å; D214-K216 PolarHBondContact O-N 3.15Å; D214-I217 PolarHBondContact O-N 2.78Å; D214-Q218 WeakPolarHBondContact O-CB 3.37Å; D214-Q218 WeakPolarHBondContact O-CG 3.32Å; D214-Q218 PolarHBondContact O-N 2.89Å |
| 215 | S | 97.4 | Very high | 96.5 | Very high | 66 Ų | 66 | 94.6 Ų | 94.6 | 46% | 0.462 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 175.8 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | T211 D212 L213 Q218 E219 | T211-S215 VanDerWaalsContact O-CB 3.23Å; T211-S215 WeakPolarHBondContact O-CB 3.32Å; T211-S215 PolarHBondContact O-N 3.34Å; T211-S215 PolarHBondContact O-OG 3.22Å; D212-S215 WeakPolarHBondContact O-CB 3.24Å; D212-S215 PolarHBondContact O-N 3.04Å; L213-S215 VanDerWaalsContact C-N 3.3Å; L213-S215 PolarHBondContact O-N 3.37Å; S215-Q218 PolarHBondContact O-N 3.01Å; S215-E219 VanDerWaalsContact O-CB 3.31Å; S215-E219 WeakPolarHBondContact O-CB 3.44Å; S215-E219 PolarHBondContact O-N 2.64Å |
| 216 | K | 97.6 | Very high | 96.5 | Very high | 111 Ų | 111 | 97.1 Ų | 97.1 | 48% | 0.483 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 175.3 | -74.9 | 163.2 | 175.7 | 166.7 | 0 | 112.1 | D212 L213 D214 E219 K220 | D212-K216 VanDerWaalsContact CG-NZ 3.33Å; D212-K216 WeakPolarHBondContact O-CB 3.39Å; D212-K216 VanDerWaalsContact O-CG 3.3Å; D212-K216 WeakPolarHBondContact O-CG 3.35Å; D212-K216 PolarHBondContact O-N 3.31Å; D212-K216 WeakPolarHBondContact OD1-CE 3.42Å; D212-K216 IonicContact OD1-NZ 3.29Å; D212-K216 PolarHBondContact OD1-NZ 2.89Å; D212-K216 VanDerWaalsContact OD2-CE 3.3Å; D212-K216 WeakPolarHBondContact OD2-CE 3.33Å; D212-K216 IonicContact OD2-NZ 2.59Å; D212-K216 PolarHBondContact OD2-NZ 2.8Å; L213-K216 WeakPolarHBondContact O-CB 3.38Å; L213-K216 PolarHBondContact O-N 2.89Å; D214-K216 PolarHBondContact O-N 3.15Å; K216-E219 PolarHBondContact O-N 2.8Å; K216-K220 WeakPolarHBondContact O-CB 3.09Å; K216-K220 WeakPolarHBondContact O-CG 3.37Å; K216-K220 PolarHBondContact O-N 3.09Å |
| 217 | I | 97.1 | Very high | 96.7 | Very high | 107 Ų | 107 | 95.2 Ų | 95.2 | 55% | 0.549 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.2 | -50.4 | 176.2 | -69.6 | 164.5 | 0 | 0 | 0 | 110.4 | L213 D214 E219 K220 A221 | L213-I217 VanDerWaalsContact O-CG1 3.3Å; L213-I217 WeakPolarHBondContact O-CG1 3.23Å; L213-I217 PolarHBondContact O-N 3.32Å; D214-I217 PolarHBondContact O-N 2.78Å; I217-E219 VanDerWaalsContact C-N 3.3Å; I217-E219 PolarHBondContact O-N 3.47Å; I217-K220 PolarHBondContact O-N 3.25Å; I217-A221 PolarHBondContact O-N 3.18Å |
| 218 | Q | 97.4 | Very high | 96.8 | Very high | 108 Ų | 108 | 96.1 Ų | 96.1 | 51% | 0.505 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.6 | -35.4 | 177.6 | -71.4 | -175.9 | 23.6 | 0 | 0 | 112.8 | D214 S215 A221 R222 | D214-Q218 WeakPolarHBondContact O-CB 3.37Å; D214-Q218 WeakPolarHBondContact O-CG 3.32Å; D214-Q218 PolarHBondContact O-N 2.89Å; S215-Q218 PolarHBondContact O-N 3.01Å; Q218-A221 PolarHBondContact O-N 3.35Å; Q218-R222 WeakPolarHBondContact O-CB 3.48Å; Q218-R222 WeakPolarHBondContact O-CG 3.41Å; Q218-R222 PolarHBondContact O-N 3.48Å; Q218-R222 PolarHBondContact O-NE 2.83Å |
| 219 | E | 97.9 | Very high | 96.9 | Very high | 77 Ų | 77 | 95 Ų | 95 | 36% | 0.36 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.7 | -39.6 | 177.7 | -150.7 | -125.3 | 129.7 | 0 | 0 | 111.3 | S215 K216 I217 R222 R223 | S215-E219 VanDerWaalsContact O-CB 3.31Å; S215-E219 WeakPolarHBondContact O-CB 3.44Å; S215-E219 PolarHBondContact O-N 2.64Å; K216-E219 PolarHBondContact O-N 2.8Å; I217-E219 VanDerWaalsContact C-N 3.3Å; I217-E219 PolarHBondContact O-N 3.47Å; E219-R222 PolarHBondContact O-N 2.77Å; E219-R223 WeakPolarHBondContact O-CG 3.4Å; E219-R223 PolarHBondContact O-N 3.26Å; E219-R223 IonicContact OE1-CZ 3.14Å; E219-R223 IonicContact OE1-NE 2.71Å; E219-R223 PolarHBondContact OE1-NE 2.88Å; E219-R223 IonicContact OE1-NH2 2.8Å; E219-R223 PolarHBondContact OE1-NH2 3.44Å; E219-R223 IonicContact OE2-CZ 3.73Å; E219-R223 IonicContact OE2-NE 3.95Å; E219-R223 IonicContact OE2-NH2 2.75Å; E219-R223 PolarHBondContact OE2-NH2 3.43Å |
| 220 | K | 97.2 | Very high | 97 | Very high | 133 Ų | 133 | 97.3 Ų | 97.3 | 58% | 0.578 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | 170.5 | -71.3 | -80.5 | -175.7 | 161.8 | 0 | 111.8 | K216 I217 R223 V224 | K216-K220 WeakPolarHBondContact O-CB 3.09Å; K216-K220 WeakPolarHBondContact O-CG 3.37Å; K216-K220 PolarHBondContact O-N 3.09Å; I217-K220 PolarHBondContact O-N 3.25Å; K220-R223 PolarHBondContact O-N 2.92Å; K220-V224 WeakPolarHBondContact O-CG2 3.32Å; K220-V224 PolarHBondContact O-N 3.35Å; K220-V224 VanDerWaalsContact O-N 3.11Å |
| 221 | A | 97.5 | Very high | 97.1 | Very high | 45 Ų | 45 | 99.2 Ų | 99.2 | 37% | 0.372 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.1 | -52.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I217 Q218 R223 V224 D225 | I217-A221 PolarHBondContact O-N 3.18Å; Q218-A221 PolarHBondContact O-N 3.35Å; A221-R223 VanDerWaalsContact C-N 3.28Å; A221-R223 PolarHBondContact O-N 3.13Å; A221-V224 CarbonylContact O-C 3.6Å; A221-V224 WeakPolarHBondContact O-CA 3.39Å; A221-V224 WeakPolarHBondContact O-CB 3.33Å; A221-V224 PolarHBondContact O-N 3.33Å; A221-D225 PolarHBondContact O-N 2.89Å |
| 222 | R | 97.6 | Very high | 97.2 | Very high | 126 Ų | 126 | 100.7 Ų | 100.7 | 48% | 0.475 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -55.8 | -37.6 | 177 | -79.6 | -179.9 | -94.9 | 112.9 | -4.8 | 113.5 | Q218 E219 M226 | Q218-R222 WeakPolarHBondContact O-CB 3.48Å; Q218-R222 WeakPolarHBondContact O-CG 3.41Å; Q218-R222 PolarHBondContact O-N 3.48Å; Q218-R222 PolarHBondContact O-NE 2.83Å; E219-R222 PolarHBondContact O-N 2.77Å; R222-M226 WeakPolarHBondContact O-CB 3.39Å; R222-M226 WeakPolarHBondContact O-CG 3.44Å; R222-M226 PolarHBondContact O-N 3.45Å |
| 223 | R | 96.9 | Very high | 97.2 | Very high | 130 Ų | 130 | 102.1 Ų | 102.1 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 173.6 | -69.2 | -178.8 | -150.4 | 173 | 9.6 | 112.5 | E219 K220 A221 D227 | E219-R223 WeakPolarHBondContact O-CG 3.4Å; E219-R223 PolarHBondContact O-N 3.26Å; E219-R223 IonicContact OE1-CZ 3.14Å; E219-R223 IonicContact OE1-NE 2.71Å; E219-R223 PolarHBondContact OE1-NE 2.88Å; E219-R223 IonicContact OE1-NH2 2.8Å; E219-R223 PolarHBondContact OE1-NH2 3.44Å; E219-R223 IonicContact OE2-CZ 3.73Å; E219-R223 IonicContact OE2-NE 3.95Å; E219-R223 IonicContact OE2-NH2 2.75Å; E219-R223 PolarHBondContact OE2-NH2 3.43Å; K220-R223 PolarHBondContact O-N 2.92Å; A221-R223 VanDerWaalsContact C-N 3.28Å; A221-R223 PolarHBondContact O-N 3.13Å; R223-D227 PolarHBondContact O-N 3.32Å |
| 224 | V | 98.3 | Very high | 97.3 | Very high | 85 Ų | 85 | 101 Ų | 101 | 52% | 0.515 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.8 | -45.5 | 176.7 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | K220 A221 M226 D227 I228 | K220-V224 WeakPolarHBondContact O-CG2 3.32Å; K220-V224 PolarHBondContact O-N 3.35Å; K220-V224 VanDerWaalsContact O-N 3.11Å; A221-V224 CarbonylContact O-C 3.6Å; A221-V224 WeakPolarHBondContact O-CA 3.39Å; A221-V224 WeakPolarHBondContact O-CB 3.33Å; A221-V224 PolarHBondContact O-N 3.33Å; V224-M226 VanDerWaalsContact C-N 3.31Å; V224-M226 PolarHBondContact O-N 3.22Å; V224-D227 PolarHBondContact O-N 3.46Å; V224-D227 VanDerWaalsContact O-N 3.1Å; V224-I228 HydrophobicContact CG1-CD1 3.78Å; V224-I228 HydrophobicContact CG1-CG1 4.36Å; V224-I228 WeakPolarHBondContact O-CG1 3.38Å; V224-I228 PolarHBondContact O-N 3.39Å |
| 225 | D | 97.4 | Very high | 97.3 | Very high | 90 Ų | 90 | 101 Ų | 101 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59 | -42.2 | 176.2 | -65 | -36 | 0 | 0 | 0 | 111.5 | A221 D227 I228 C229 | A221-D225 PolarHBondContact O-N 2.89Å; D225-D227 PolarHBondContact O-N 3.13Å; D225-I228 PolarHBondContact O-N 3.05Å; D225-C229 PolarHBondContact O-N 3.33Å; D225-C229 PolarHBondContact O-SG 3.49Å |
| 226 | M | 97.6 | Very high | 97.3 | Very high | 141 Ų | 141 | 100.2 Ų | 100.2 | 70% | 0.695 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.4 | -42.5 | 173.1 | -83.6 | 178.2 | 55.6 | 0 | 0 | 113.1 | R222 V224 R230 | R222-M226 WeakPolarHBondContact O-CB 3.39Å; R222-M226 WeakPolarHBondContact O-CG 3.44Å; R222-M226 PolarHBondContact O-N 3.45Å; V224-M226 VanDerWaalsContact C-N 3.31Å; V224-M226 PolarHBondContact O-N 3.22Å; M226-R230 VanDerWaalsContact O-CB 3.28Å; M226-R230 WeakPolarHBondContact O-CB 3.48Å; M226-R230 PolarHBondContact O-N 3.44Å |
| 227 | D | 97.7 | Very high | 97.2 | Very high | 70 Ų | 70 | 101.8 Ų | 101.8 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.6 | -37.9 | 176.3 | -172.6 | 64.1 | 0 | 0 | 0 | 111.9 | R223 V224 D225 R230 R231 | R223-D227 PolarHBondContact O-N 3.32Å; V224-D227 PolarHBondContact O-N 3.46Å; V224-D227 VanDerWaalsContact O-N 3.1Å; D225-D227 PolarHBondContact O-N 3.13Å; D227-R230 PolarHBondContact O-N 2.96Å; D227-R231 VanDerWaalsContact O-CB 3.32Å; D227-R231 WeakPolarHBondContact O-CB 3.21Å; D227-R231 VanDerWaalsContact O-CG 3.24Å; D227-R231 WeakPolarHBondContact O-CG 3.45Å; D227-R231 PolarHBondContact O-N 2.92Å; D227-R231 WeakPolarHBondContact OD2-CD 3.44Å |
| 228 | I | 96.4 | Very high | 97.1 | Very high | 83 Ų | 83 | 102.1 Ų | 102.1 | 43% | 0.426 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.7 | -51.7 | 174.4 | -69.2 | 168.6 | 0 | 0 | 0 | 110.3 | V224 D225 R230 R231 I232 | V224-I228 HydrophobicContact CG1-CD1 3.78Å; V224-I228 HydrophobicContact CG1-CG1 4.36Å; V224-I228 WeakPolarHBondContact O-CG1 3.38Å; V224-I228 PolarHBondContact O-N 3.39Å; D225-I228 PolarHBondContact O-N 3.05Å; I228-R230 PolarHBondContact O-N 3.11Å; I228-R231 PolarHBondContact O-N 3.24Å; I228-I232 HydrophobicContact CG2-CD1 3.86Å; I228-I232 VanDerWaalsContact O-CG1 3.31Å; I228-I232 WeakPolarHBondContact O-CG1 3.46Å; I228-I232 PolarHBondContact O-N 3.48Å |
| 229 | C | 97.3 | Very high | 97 | Very high | 76 Ų | 76 | 100.5 Ų | 100.5 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.6 | -48.6 | 174.9 | -71.4 | 0 | 0 | 0 | 0 | 111.7 | D225 R231 I232 D233 | D225-C229 PolarHBondContact O-N 3.33Å; D225-C229 PolarHBondContact O-SG 3.49Å; C229-R231 VanDerWaalsContact C-N 3.29Å; C229-R231 PolarHBondContact O-N 2.98Å; C229-I232 WeakPolarHBondContact O-CB 3.32Å; C229-I232 PolarHBondContact O-N 3.09Å; C229-I232 VanDerWaalsContact O-N 3.15Å; C229-D233 PolarHBondContact O-N 3.17Å |
| 230 | R | 97.4 | Very high | 96.9 | Very high | 154 Ų | 154 | 101.7 Ų | 101.7 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.1 | -35 | 179.9 | -162.7 | -176.3 | 102.6 | 89.8 | -0 | 112.7 | M226 D227 I228 I234 | M226-R230 VanDerWaalsContact O-CB 3.28Å; M226-R230 WeakPolarHBondContact O-CB 3.48Å; M226-R230 PolarHBondContact O-N 3.44Å; D227-R230 PolarHBondContact O-N 2.96Å; I228-R230 PolarHBondContact O-N 3.11Å; R230-I234 HydrophobicContact CG-CD1 4.31Å; R230-I234 WeakPolarHBondContact O-CD1 3.28Å; R230-I234 VanDerWaalsContact O-CG1 3.22Å; R230-I234 WeakPolarHBondContact O-CG1 3.09Å; R230-I234 PolarHBondContact O-N 2.78Å; R230-I234 VanDerWaalsContact O-N 3.08Å |
| 231 | R | 97.1 | Very high | 96.8 | Very high | 159 Ų | 159 | 99.8 Ų | 99.8 | 60% | 0.6 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -74.6 | -34.4 | 176.2 | -73.5 | 177 | 67.4 | -170.9 | 2 | 112.1 | D227 I228 C229 T235 | D227-R231 VanDerWaalsContact O-CB 3.32Å; D227-R231 WeakPolarHBondContact O-CB 3.21Å; D227-R231 VanDerWaalsContact O-CG 3.24Å; D227-R231 WeakPolarHBondContact O-CG 3.45Å; D227-R231 PolarHBondContact O-N 2.92Å; D227-R231 WeakPolarHBondContact OD2-CD 3.44Å; I228-R231 PolarHBondContact O-N 3.24Å; C229-R231 VanDerWaalsContact C-N 3.29Å; C229-R231 PolarHBondContact O-N 2.98Å; R231-T235 WeakPolarHBondContact O-CB 3.44Å; R231-T235 PolarHBondContact O-N 3.21Å; R231-T235 PolarHBondContact O-OG1 2.99Å |
| 232 | I | 96.6 | Very high | 96.5 | Very high | 105 Ų | 105 | 100 Ų | 100 | 54% | 0.538 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -48.7 | 170.4 | -68.7 | 164.5 | 0 | 0 | 0 | 109.8 | I228 C229 I234 T235 A236 | I228-I232 HydrophobicContact CG2-CD1 3.86Å; I228-I232 VanDerWaalsContact O-CG1 3.31Å; I228-I232 WeakPolarHBondContact O-CG1 3.46Å; I228-I232 PolarHBondContact O-N 3.48Å; C229-I232 WeakPolarHBondContact O-CB 3.32Å; C229-I232 PolarHBondContact O-N 3.09Å; C229-I232 VanDerWaalsContact O-N 3.15Å; I232-I234 PolarHBondContact O-N 3.32Å; I232-T235 PolarHBondContact O-N 2.89Å; I232-T235 VanDerWaalsContact O-N 3.12Å; I232-A236 PolarHBondContact O-N 3.14Å |
| 233 | D | 96.9 | Very high | 96.2 | Very high | 101 Ų | 101 | 100.8 Ų | 100.8 | 54% | 0.54 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58 | -44.4 | 177.3 | -75.4 | -20.4 | 0 | 0 | 0 | 113.1 | C229 T235 K237 | C229-D233 PolarHBondContact O-N 3.17Å; D233-T235 VanDerWaalsContact C-N 3.35Å; D233-K237 WeakPolarHBondContact O-CG 3.27Å; D233-K237 PolarHBondContact O-N 3.47Å; D233-K237 VanDerWaalsContact O-N 3.12Å |
| 234 | I | 96.8 | Very high | 95.8 | Very high | 74 Ų | 74 | 99.9 Ų | 99.9 | 38% | 0.379 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 176.7 | -70.5 | 165.1 | 0 | 0 | 0 | 110.4 | R230 I232 K237 L238 | R230-I234 HydrophobicContact CG-CD1 4.31Å; R230-I234 WeakPolarHBondContact O-CD1 3.28Å; R230-I234 VanDerWaalsContact O-CG1 3.22Å; R230-I234 WeakPolarHBondContact O-CG1 3.09Å; R230-I234 PolarHBondContact O-N 2.78Å; R230-I234 VanDerWaalsContact O-N 3.08Å; I232-I234 PolarHBondContact O-N 3.32Å; I234-K237 PolarHBondContact O-N 2.95Å; I234-L238 HydrophobicContact CG2-CD1 3.97Å; I234-L238 VanDerWaalsContact O-CG 3.3Å; I234-L238 WeakPolarHBondContact O-CG 3.45Å; I234-L238 PolarHBondContact O-N 3.01Å |
| 235 | T | 96.8 | Very high | 95.1 | Very high | 81 Ų | 81 | 103.9 Ų | 103.9 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 178.9 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | R231 I232 D233 K237 L238 C239 | R231-T235 WeakPolarHBondContact O-CB 3.44Å; R231-T235 PolarHBondContact O-N 3.21Å; R231-T235 PolarHBondContact O-OG1 2.99Å; I232-T235 PolarHBondContact O-N 2.89Å; I232-T235 VanDerWaalsContact O-N 3.12Å; D233-T235 VanDerWaalsContact C-N 3.35Å; T235-K237 PolarHBondContact O-N 2.81Å; T235-L238 PolarHBondContact O-N 3.17Å; T235-C239 PolarHBondContact O-N 3.3Å; T235-C239 PolarHBondContact O-SG 3.46Å; T235-C239 VanDerWaalsContact O-SG 3.4Å |
| 236 | A | 97.1 | Very high | 94.3 | Very high | 48 Ų | 48 | 105 Ų | 105 | 40% | 0.397 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.3 | -50.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I232 L238 C239 D240 | I232-A236 PolarHBondContact O-N 3.14Å; A236-L238 VanDerWaalsContact C-N 3.29Å; A236-L238 PolarHBondContact O-N 3.41Å; A236-C239 WeakPolarHBondContact O-CA 3.39Å; A236-C239 WeakPolarHBondContact O-CB 3.23Å; A236-C239 PolarHBondContact O-N 3.27Å; A236-D240 PolarHBondContact O-N 3.44Å |
| 237 | K | 96.2 | Very high | 93.3 | Very high | 145 Ų | 145 | 101.4 Ų | 101.4 | 63% | 0.63 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.5 | -32.9 | 177.5 | -71.9 | 179.1 | 178.8 | 178 | 0 | 113.5 | D233 I234 T235 V241 | D233-K237 WeakPolarHBondContact O-CG 3.27Å; D233-K237 PolarHBondContact O-N 3.47Å; D233-K237 VanDerWaalsContact O-N 3.12Å; I234-K237 PolarHBondContact O-N 2.95Å; T235-K237 PolarHBondContact O-N 2.81Å; K237-V241 VanDerWaalsContact O-CG2 3.3Å; K237-V241 WeakPolarHBondContact O-CG2 3.28Å; K237-V241 PolarHBondContact O-N 3.17Å; K237-V241 VanDerWaalsContact O-N 3.09Å |
| 238 | L | 95.6 | Very high | 91.8 | Very high | 113 Ų | 113 | 102 Ų | 102 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.8 | -37.5 | 173.4 | -73.3 | 169.6 | 0 | 0 | 0 | 111.9 | I234 T235 A236 A242 | I234-L238 HydrophobicContact CG2-CD1 3.97Å; I234-L238 VanDerWaalsContact O-CG 3.3Å; I234-L238 WeakPolarHBondContact O-CG 3.45Å; I234-L238 PolarHBondContact O-N 3.01Å; T235-L238 PolarHBondContact O-N 3.17Å; A236-L238 VanDerWaalsContact C-N 3.29Å; A236-L238 PolarHBondContact O-N 3.41Å; L238-A242 VanDerWaalsContact O-CB 3.32Å; L238-A242 WeakPolarHBondContact O-CB 3.35Å; L238-A242 PolarHBondContact O-N 3.14Å |
| 239 | C | 94.5 | Very high | 90 | Very high | 74 Ų | 74 | 100.8 Ų | 100.8 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 171.6 | -69.7 | 0 | 0 | 0 | 0 | 111.8 | T235 A236 V241 A242 Q243 | T235-C239 PolarHBondContact O-N 3.3Å; T235-C239 PolarHBondContact O-SG 3.46Å; T235-C239 VanDerWaalsContact O-SG 3.4Å; A236-C239 WeakPolarHBondContact O-CA 3.39Å; A236-C239 WeakPolarHBondContact O-CB 3.23Å; A236-C239 PolarHBondContact O-N 3.27Å; C239-V241 PolarHBondContact O-N 3.31Å; C239-A242 PolarHBondContact O-N 2.68Å; C239-Q243 WeakPolarHBondContact O-CB 3.16Å; C239-Q243 PolarHBondContact O-N 3.12Å |
| 240 | D | 95.3 | Very high | 88 | Confident | 102 Ų | 102 | 101.9 Ų | 101.9 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.4 | -48.8 | 176.7 | -64.7 | -32.3 | 0 | 0 | 0 | 111.5 | A236 A242 Q243 Q244 | A236-D240 PolarHBondContact O-N 3.44Å; D240-A242 PolarHBondContact O-N 2.6Å; D240-Q243 PolarHBondContact O-N 3.36Å; D240-Q244 WeakPolarHBondContact O-CB 3.43Å; D240-Q244 PolarHBondContact O-N 2.84Å |
| 241 | V | 95.3 | Very high | 86.1 | Confident | 93 Ų | 93 | 98.4 Ų | 98.4 | 56% | 0.564 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.4 | -39.5 | 178.5 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | K237 C239 R245 | K237-V241 VanDerWaalsContact O-CG2 3.3Å; K237-V241 WeakPolarHBondContact O-CG2 3.28Å; K237-V241 PolarHBondContact O-N 3.17Å; K237-V241 VanDerWaalsContact O-N 3.09Å; C239-V241 PolarHBondContact O-N 3.31Å; V241-R245 WeakPolarHBondContact O-CB 3.4Å; V241-R245 PolarHBondContact O-N 3.36Å |
| 242 | A | 91.4 | Very high | 84 | Confident | 50 Ų | 50 | 96.7 Ų | 96.7 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L238 C239 D240 R245 N246 | L238-A242 VanDerWaalsContact O-CB 3.32Å; L238-A242 WeakPolarHBondContact O-CB 3.35Å; L238-A242 PolarHBondContact O-N 3.14Å; C239-A242 PolarHBondContact O-N 2.68Å; D240-A242 PolarHBondContact O-N 2.6Å; A242-R245 PolarHBondContact O-N 3.07Å; A242-N246 WeakPolarHBondContact O-CB 3.4Å; A242-N246 VanDerWaalsContact O-CG 3.32Å; A242-N246 PolarHBondContact O-N 2.96Å; A242-N246 PolarHBondContact O-ND2 3.12Å |
| 243 | Q | 92.3 | Very high | 81.8 | Confident | 142 Ų | 142 | 97.6 Ų | 97.6 | 66% | 0.664 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68.6 | -40.9 | 176.8 | -177.7 | 166.5 | -28.5 | 0 | 0 | 111.9 | C239 D240 N246 S247 | C239-Q243 WeakPolarHBondContact O-CB 3.16Å; C239-Q243 PolarHBondContact O-N 3.12Å; D240-Q243 PolarHBondContact O-N 3.36Å; Q243-N246 PolarHBondContact O-N 2.94Å; Q243-S247 PolarHBondContact O-N 3.25Å; Q243-S247 PolarHBondContact O-OG 2.85Å |
| 244 | Q | 88.8 | Confident | 79.5 | Confident | 112 Ų | 112 | 99.8 Ų | 99.8 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 171.7 | -180 | 178.7 | -14.7 | 0 | 0 | 111.1 | D240 N246 S247 E248 | D240-Q244 WeakPolarHBondContact O-CB 3.43Å; D240-Q244 PolarHBondContact O-N 2.84Å; Q244-N246 VanDerWaalsContact C-N 3.33Å; Q244-N246 PolarHBondContact O-N 3.43Å; Q244-S247 PolarHBondContact O-N 3.34Å; Q244-S247 PolarHBondContact O-OG 2.92Å; Q244-E248 HydrophobicContact CG-CG 4.4Å; Q244-E248 WeakPolarHBondContact CG-OE1 3.34Å; Q244-E248 PolarHBondContact NE2-OE1 3.28Å; Q244-E248 WeakPolarHBondContact O-CB 3.47Å; Q244-E248 WeakPolarHBondContact O-CG 3.36Å; Q244-E248 PolarHBondContact O-N 2.9Å |
| 245 | R | 83.6 | Confident | 77 | Confident | 169 Ų | 169 | 103.2 Ų | 103.2 | 64% | 0.638 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60 | -44.2 | 178.1 | -171.2 | -177.1 | -175.4 | 133.8 | 5 | 112 | V241 A242 S247 E248 D249 | V241-R245 WeakPolarHBondContact O-CB 3.4Å; V241-R245 PolarHBondContact O-N 3.36Å; A242-R245 PolarHBondContact O-N 3.07Å; R245-S247 PolarHBondContact O-N 3.5Å; R245-E248 PolarHBondContact O-N 3.17Å; R245-D249 IonicContact NE-OD2 3.77Å; R245-D249 PolarHBondContact O-N 2.94Å |
| 246 | N | 78.9 | Confident | 74.3 | Confident | 112 Ų | 112 | 105.2 Ų | 105.2 | 60% | 0.599 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.6 | -38.8 | 177.9 | -74.9 | -23.5 | 0 | 0 | 0 | 112.3 | A242 Q243 Q244 M250 | A242-N246 WeakPolarHBondContact O-CB 3.4Å; A242-N246 VanDerWaalsContact O-CG 3.32Å; A242-N246 PolarHBondContact O-N 2.96Å; A242-N246 PolarHBondContact O-ND2 3.12Å; Q243-N246 PolarHBondContact O-N 2.94Å; Q244-N246 VanDerWaalsContact C-N 3.33Å; Q244-N246 PolarHBondContact O-N 3.43Å; N246-M250 WeakPolarHBondContact O-CB 3.49Å; N246-M250 WeakPolarHBondContact O-CG 3.46Å; N246-M250 PolarHBondContact O-N 3.26Å |
| 247 | S | 77.4 | Confident | 71.3 | Confident | 66 Ų | 66 | 107.3 Ų | 107.3 | 46% | 0.462 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -72 | -34.9 | 176.7 | 68.8 | 0 | 0 | 0 | 0 | 112.4 | Q243 Q244 R245 S251 | Q243-S247 PolarHBondContact O-N 3.25Å; Q243-S247 PolarHBondContact O-OG 2.85Å; Q244-S247 PolarHBondContact O-N 3.34Å; Q244-S247 PolarHBondContact O-OG 2.92Å; R245-S247 PolarHBondContact O-N 3.5Å; S247-S251 VanDerWaalsContact O-CB 3.3Å; S247-S251 WeakPolarHBondContact O-CB 3.46Å; S247-S251 PolarHBondContact O-N 3.02Å; S247-S251 PolarHBondContact O-OG 3.14Å |
| 248 | E | 65.8 | Low | 69.6 | Low | 83 Ų | 83 | 106.3 Ų | 106.3 | 39% | 0.388 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.7 | -43.5 | 173.8 | -76.3 | -177.8 | -158.6 | 0 | 0 | 112.9 | Q244 R245 S251 K252 | Q244-E248 HydrophobicContact CG-CG 4.4Å; Q244-E248 WeakPolarHBondContact CG-OE1 3.34Å; Q244-E248 PolarHBondContact NE2-OE1 3.28Å; Q244-E248 WeakPolarHBondContact O-CB 3.47Å; Q244-E248 WeakPolarHBondContact O-CG 3.36Å; Q244-E248 PolarHBondContact O-N 2.9Å; R245-E248 PolarHBondContact O-N 3.17Å; E248-S251 PolarHBondContact O-N 2.72Å; E248-K252 WeakPolarHBondContact O-CE 3.48Å; E248-K252 VanDerWaalsContact O-CG 3.29Å; E248-K252 WeakPolarHBondContact O-CG 3.46Å; E248-K252 PolarHBondContact O-N 3.48Å; E248-K252 IonicContact OE2-NZ 3.79Å |
| 249 | D | 58.8 | Low | 66.6 | Low | 58 Ų | 58 | 105.2 Ų | 105.2 | 31% | 0.31 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.2 | -35.3 | 179 | -73.4 | -16.8 | 0 | 0 | 0 | 111.4 | R245 K252 M253 | R245-D249 IonicContact NE-OD2 3.77Å; R245-D249 PolarHBondContact O-N 2.94Å; D249-K252 PolarHBondContact O-N 3.49Å; D249-K252 IonicContact OD1-NZ 2.76Å; D249-K252 PolarHBondContact OD1-NZ 3.04Å; D249-M253 WeakPolarHBondContact O-CG 3.5Å; D249-M253 PolarHBondContact O-N 2.92Å; D249-M253 VanDerWaalsContact O-N 3.11Å |
| 250 | M | 56 | Low | 63.7 | Low | 99 Ų | 99 | 113.4 Ų | 113.4 | 49% | 0.488 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.5 | -41.4 | 167.2 | -70.9 | -72.7 | -81.9 | 0 | 0 | 112 | N246 K252 M253 F254 | N246-M250 WeakPolarHBondContact O-CB 3.49Å; N246-M250 WeakPolarHBondContact O-CG 3.46Å; N246-M250 PolarHBondContact O-N 3.26Å; M250-K252 VanDerWaalsContact C-N 3.29Å; M250-K252 PolarHBondContact O-N 3.28Å; M250-M253 HydrophobicContact CG-CE 4.42Å; M250-M253 PolarHBondContact O-N 3.48Å; M250-M253 VanDerWaalsContact O-N 3.16Å; M250-M253 HydrophobicContact SD-CE 3.62Å; M250-F254 HydrophobicContact CE-CE2 3.98Å; M250-F254 PolarHBondContact O-N 2.91Å |
| 251 | S | 56.6 | Low | 60.7 | Low | 80 Ų | 80 | 113.8 Ų | 113.8 | 56% | 0.559 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.4 | -29.4 | 176.4 | -60.2 | 0 | 0 | 0 | 0 | 113 | S247 E248 | S247-S251 VanDerWaalsContact O-CB 3.3Å; S247-S251 WeakPolarHBondContact O-CB 3.46Å; S247-S251 PolarHBondContact O-N 3.02Å; S247-S251 PolarHBondContact O-OG 3.14Å; E248-S251 PolarHBondContact O-N 2.72Å |
| 252 | K | 53 | Low | 57.8 | Low | 123 Ų | 123 | 117 Ų | 117 | 54% | 0.535 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -72.4 | -35.7 | 172.4 | -68.3 | 160.2 | -151.8 | 157 | 0 | 111.8 | E248 D249 M250 | E248-K252 WeakPolarHBondContact O-CE 3.48Å; E248-K252 VanDerWaalsContact O-CG 3.29Å; E248-K252 WeakPolarHBondContact O-CG 3.46Å; E248-K252 PolarHBondContact O-N 3.48Å; E248-K252 IonicContact OE2-NZ 3.79Å; D249-K252 PolarHBondContact O-N 3.49Å; D249-K252 IonicContact OD1-NZ 2.76Å; D249-K252 PolarHBondContact OD1-NZ 3.04Å; M250-K252 VanDerWaalsContact C-N 3.29Å; M250-K252 PolarHBondContact O-N 3.28Å |
| 253 | M | 51.5 | Low | 55.9 | Low | 124 Ų | 124 | 119.7 Ų | 119.7 | 61% | 0.611 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.4 | -32 | 178.2 | -69.8 | -171.1 | -67.2 | 0 | 0 | 113.9 | D249 M250 N255 | D249-M253 WeakPolarHBondContact O-CG 3.5Å; D249-M253 PolarHBondContact O-N 2.92Å; D249-M253 VanDerWaalsContact O-N 3.11Å; M250-M253 HydrophobicContact CG-CE 4.42Å; M250-M253 PolarHBondContact O-N 3.48Å; M250-M253 VanDerWaalsContact O-N 3.16Å; M250-M253 HydrophobicContact SD-CE 3.62Å; M253-N255 PolarHBondContact O-N 3.42Å; M253-N255 VanDerWaalsContact O-N 3.12Å |
| 254 | F | 47.9 | Very low | 53 | Low | 147 Ų | 147 | 119.8 Ų | 119.8 | 65% | 0.645 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 6.1 | -174.4 | -99.5 | -84.2 | 0 | 0 | 0 | 116.3 | M250 V256 | M250-F254 HydrophobicContact CE-CE2 3.98Å; M250-F254 PolarHBondContact O-N 2.91Å; F254-V256 PolarHBondContact O-N 2.83Å |
| 255 | N | 43.5 | Very low | 50.3 | Low | 146 Ų | 146 | 122.9 Ų | 122.9 | 78% | 0.781 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 7.2 | 170.3 | -91.6 | -54.1 | 0 | 0 | 0 | 114.2 | M253 | M253-N255 PolarHBondContact O-N 3.42Å; M253-N255 VanDerWaalsContact O-N 3.12Å |
| 256 | V | 41.5 | Very low | 47.6 | Very low | 124 Ų | 124 | 118.4 Ų | 118.4 | 75% | 0.752 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -136.8 | 137.3 | 174.5 | -175.5 | 0 | 0 | 0 | 0 | 111.3 | F254 | F254-V256 PolarHBondContact O-N 2.83Š|
| 257 | S | 33.1 | Very low | 45.4 | Very low | 92 Ų | 92 | 118 Ų | 118 | 64% | 0.643 | 67% | 0.668 | S | S | * | * | trans | -171.1 | 163.3 | 175.1 | -86.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 258 | P | 61.2 | Low | 43.4 | Very low | 124 Ų | 124 | 119.8 Ų | 119.8 | 81% | 0.805 | 69% | 0.686 | S | S | * | * | cis | -136.6 | 165.2 | -26.7 | 38.6 | -23.8 | 0 | 0 | 0 | 114 | ||||
| 259 | A | 32.3 | Very low | 41.8 | Very low | 90 Ų | 90 | 120.5 Ų | 120.5 | 74% | 0.744 | 71% | 0.706 | S | S | * | * | trans | 175.3 | 135.6 | 146.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 260 | R | 33.4 | Very low | 40.4 | Very low | 245 Ų | 245 | 123.3 Ų | 123.3 | 93% | 0.925 | 73% | 0.729 | S | S | * | * | trans | 55.2 | 153.1 | 140.8 | -69.4 | 177.1 | 176.7 | 164.7 | -0.5 | 120.1 | ||||
| 261 | S | 33.3 | Very low | 39.3 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | cis | -163.8 | 170.1 | -5 | 40.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 262 | L | 33.4 | Very low | 38.2 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -70.5 | 179.1 | 169.2 | -110.4 | 77.8 | 0 | 0 | 0 | 113.3 | ||||
| 263 | P | 52.5 | Low | 37.3 | Very low | 105 Ų | 105 | 134.2 Ų | 134.2 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | cis | -142.2 | 179.6 | 8 | 43.2 | -24.1 | 0 | 0 | 0 | 119.3 | ||||
| 264 | E | 30.5 | Very low | 36.4 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | 64.3 | 134.5 | 145.9 | -75.9 | -142.2 | 130.7 | 0 | 0 | 127 | ||||
| 265 | K | 32 | Very low | 35.6 | Very low | 177 Ų | 177 | 136 Ų | 136 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | 57.5 | 132 | 141.3 | -68.4 | 176.7 | 176.3 | 121.5 | 0 | 123.1 | ||||
| 266 | G | 27.6 | Very low | 35 | Very low | 74 Ų | 74 | 139.5 Ų | 139.5 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | trans | 142.7 | 75.9 | 131.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 267 | A | 32.2 | Very low | 34.7 | Very low | 105 Ų | 105 | 141.6 Ų | 141.6 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | 55.8 | 150.4 | 141.4 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 268 | A | 35.1 | Very low | 34.5 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | trans | 67.6 | 150.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 269 | A | 33 | Very low | 32.9 | Very low | 97 Ų | 97 | 144.2 Ų | 144.2 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | cis | -168.2 | 164 | -23.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 270 | C | 29.5 | Very low | 32.7 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | cis | -129.3 | -120.7 | -0.7 | -152.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 271 | C | 33.2 | Very low | 32.8 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 75% | 0.75 | 77% | 0.768 | S | S | * | * | cis | -142.8 | 128 | -8.8 | -157.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 272 | R | 33.6 | Very low | 33.1 | Very low | 198 Ų | 198 | 142.7 Ų | 142.7 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | trans | 22.2 | 110.9 | 161.3 | -59.3 | -167.5 | 179 | -132.5 | -2.6 | 122.6 | ||||
| 273 | R | 32.3 | Very low | 33.3 | Very low | 222 Ų | 222 | 142.9 Ų | 142.9 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | 61 | 131.7 | 126.1 | -63.3 | -176.1 | 178.4 | -177.3 | -2.7 | 119.5 | |||||
| 274 | K | 33 | Very low | 32.2 | Very low | 169 Ų | 169 | 144.5 Ų | 144.5 | 74% | 0.735 | 77% | 0.767 | S | S | * | * | cis | 76.3 | 120.4 | 35.4 | -164.8 | 169.8 | -177.2 | 177.4 | 0 | 111.9 | ||||
| 275 | E | 31.6 | Very low | 32.5 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 65% | 0.654 | 76% | 0.762 | S | S | * | * | cis | -159.7 | 173.4 | 13.5 | -138.9 | 161.8 | -166 | 0 | 0 | 114.1 | ||||
| 276 | R | 31.8 | Very low | 32.7 | Very low | 220 Ų | 220 | 141.5 Ų | 141.5 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | 1.8 | 155.7 | 146.5 | -74.5 | 176.8 | 173.5 | -163 | -2.7 | 120.9 | ||||
| 277 | K | 33.4 | Very low | 33.3 | Very low | 167 Ų | 167 | 145.4 Ų | 145.4 | 73% | 0.726 | 77% | 0.765 | S | S | * | * | cis | -175.5 | 131.4 | -1.7 | 154.4 | 178.8 | 173.6 | -174 | 0 | 111.7 | ||||
| 278 | T | 30.5 | Very low | 33.8 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | trans | 58.1 | 174.7 | 165.8 | 51.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 279 | I | 27.3 | Very low | 33.7 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | cis | -152 | 171.8 | 12.1 | -7.8 | 173.3 | 0 | 0 | 0 | 111.7 | ||||
| 280 | S | 27.7 | Very low | 33.9 | Very low | 111 Ų | 111 | 149.9 Ų | 149.9 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | 87.8 | 155.6 | 151.4 | -148.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 281 | D | 34.9 | Very low | 34.8 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | -103.3 | 177.7 | -173.2 | -54.6 | -85.7 | 0 | 0 | 0 | 115.1 | ||||
| 282 | E | 40.5 | Very low | 34.8 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | 121.1 | 131.6 | 144.4 | -62.4 | -56.6 | 172.9 | 0 | 0 | 122.7 | ||||
| 283 | E | 38.1 | Very low | 34.5 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | 54.8 | 157.7 | 155.2 | -60.7 | -175.6 | 118.5 | 0 | 0 | 121.2 | ||||
| 284 | N | 28.5 | Very low | 34.6 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | cis | -151 | -179.7 | 13.8 | -155.9 | 4.6 | 0 | 0 | 0 | 115.4 | ||||
| 285 | S | 37.4 | Very low | 34.7 | Very low | 82 Ų | 82 | 139.7 Ų | 139.7 | 57% | 0.573 | 74% | 0.744 | S | S | * | * | trans | -56.8 | 165.5 | -174.1 | 60 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 286 | E | 36.6 | Very low | 34.9 | Very low | 178 Ų | 178 | 141.7 Ų | 141.7 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | -171.5 | 145.7 | 81.6 | -108.3 | -180 | 95 | 0 | 0 | 117.9 | |||||
| 287 | M | 40.2 | Very low | 35.2 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 76% | 0.764 | 75% | 0.753 | S | S | * | * | trans | 55 | 101.2 | 137.7 | -141.1 | 65.8 | -175.4 | 0 | 0 | 126.4 | ||||
| 288 | D | 41.3 | Very low | 35.2 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | 38 | 129.8 | 120.3 | -154.3 | 2.8 | 0 | 0 | 0 | 124.7 | |||||
| 289 | A | 34.4 | Very low | 35.8 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | trans | 175.3 | 129.4 | 137 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 290 | E | 37 | Very low | 36.5 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -84.1 | 174.7 | 166.9 | -90.4 | -75.9 | 133.2 | 0 | 0 | 111.8 | S292 | E290-S292 PolarHBondContact OE2-N 2.98Š| ||
| 291 | P | 47.5 | Very low | 37.5 | Very low | 107 Ų | 107 | 134.9 Ų | 134.9 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | cis | -154.4 | 161.7 | 35 | 44.1 | -21.4 | 0 | 0 | 0 | 123.2 | ||||
| 292 | S | 32.7 | Very low | 38.6 | Very low | 86 Ų | 86 | 133.7 Ų | 133.7 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | trans | 77.5 | 146.6 | 134 | 69.4 | 0 | 0 | 0 | 0 | 124.9 | E290 | E290-S292 PolarHBondContact OE2-N 2.98Š| ||
| 293 | T | 29.1 | Very low | 39.8 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | 64.7 | 138 | 165.2 | 55.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 294 | S | 33 | Very low | 41.3 | Very low | 100 Ų | 100 | 129.4 Ų | 129.4 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | cis | -172.3 | -172.5 | -14.1 | 43.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 295 | E | 34.9 | Very low | 43.2 | Very low | 178 Ų | 178 | 127.2 Ų | 127.2 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | cis | -141.6 | -113.3 | 16.8 | -63 | 174.2 | 105.4 | 0 | 0 | 112.5 | ||||
| 296 | E | 35.8 | Very low | 45 | Very low | 182 Ų | 182 | 126.2 Ų | 126.2 | 85% | 0.85 | 72% | 0.72 | S | S | * | * | trans | -82.2 | 172.7 | -172.5 | -67.1 | 171.6 | 135.3 | 0 | 0 | 116 | ||||
| 297 | E | 38.6 | Very low | 46.9 | Very low | 177 Ų | 177 | 121.6 Ų | 121.6 | 83% | 0.827 | 70% | 0.699 | S | S | * | * | cis | -171.3 | 112.4 | -34 | -175.2 | -174.8 | -118.2 | 0 | 0 | 109.1 | ||||
| 298 | V | 33.9 | Very low | 48.3 | Very low | 136 Ų | 136 | 120 Ų | 120 | 82% | 0.824 | 69% | 0.691 | S | S | * | * | trans | -151.4 | 134.1 | 163.5 | 179 | 0 | 0 | 0 | 0 | 107.4 | G300 | V298-G300 PolarHBondContact O-N 3.22Š| ||
| 299 | P | 43.2 | Very low | 49.9 | Very low | 132 Ų | 132 | 118.8 Ų | 118.8 | 86% | 0.857 | 68% | 0.679 | S | S | * | * | trans | -71.4 | 100.6 | -169.7 | 27.1 | -35.6 | 0 | 0 | 0 | 113.5 | ||||
| 300 | G | 41.7 | Very low | 52.1 | Low | 67 Ų | 67 | 119.5 Ų | 119.5 | 69% | 0.691 | 66% | 0.661 | S | S | * | * | trans | -82.5 | 142.9 | 166 | 0 | 0 | 0 | 0 | 0 | 112.1 | V298 L302 | V298-G300 PolarHBondContact O-N 3.22Å; G300-L302 PolarHBondContact O-N 3.34Å | ||
| 301 | S | 49.1 | Very low | 53.7 | Low | 114 Ų | 114 | 116.3 Ų | 116.3 | 80% | 0.797 | 65% | 0.647 | S | S | * | * | trans | -3.7 | 113.8 | 167 | 54 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 302 | L | 56.4 | Low | 54.7 | Low | 115 Ų | 115 | 116.7 Ų | 116.7 | 60% | 0.602 | 64% | 0.643 | S | S | * | * | trans | -56.7 | 142.2 | 155.2 | -75.1 | 168.6 | 0 | 0 | 0 | 109.2 | G300 | G300-L302 PolarHBondContact O-N 3.34Š| ||
| 303 | N | 66.6 | Low | 56.5 | Low | 104 Ų | 104 | 117.2 Ų | 117.2 | 56% | 0.556 | 64% | 0.639 | S | S | * | * | trans | -64.5 | 143.3 | 175.2 | -58.2 | -60.7 | 0 | 0 | 0 | 109.6 | T305 D306 E307 | N303-T305 PolarHBondContact O-N 2.9Å; N303-T305 VanDerWaalsContact O-N 3.09Å; N303-D306 PolarHBondContact ND2-OD2 3.23Å; N303-D306 PolarHBondContact O-N 2.92Å; N303-E307 PolarHBondContact O-N 3.36Å | ||
| 304 | I | 68.4 | Low | 58.6 | Low | 135 Ų | 135 | 115.6 Ų | 115.6 | 69% | 0.692 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -51.5 | -37.6 | 176.3 | -68.1 | 171 | 0 | 0 | 0 | 111.1 | D306 E307 M308 | I304-D306 VanDerWaalsContact C-N 3.3Å; I304-D306 PolarHBondContact O-N 3.1Å; I304-E307 PolarHBondContact O-N 2.84Å; I304-M308 HydrophobicContact CG2-CG 4.26Å; I304-M308 HydrophobicContact CG2-SD 4.13Å; I304-M308 WeakPolarHBondContact O-CB 3.44Å; I304-M308 VanDerWaalsContact O-CG 3.29Å; I304-M308 WeakPolarHBondContact O-CG 3.3Å; I304-M308 PolarHBondContact O-N 3.47Å |
| 305 | T | 69.9 | Low | 60.1 | Low | 92 Ų | 92 | 116 Ų | 116 | 56% | 0.564 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -59.5 | -37.1 | 176.1 | -41.2 | 0 | 0 | 0 | 0 | 113.4 | N303 K309 | N303-T305 PolarHBondContact O-N 2.9Å; N303-T305 VanDerWaalsContact O-N 3.09Å; T305-K309 VanDerWaalsContact O-CG 3.26Å; T305-K309 WeakPolarHBondContact O-CG 3.38Å; T305-K309 PolarHBondContact O-N 2.58Å; T305-K309 VanDerWaalsContact O-N 3.17Å |
| 306 | D | 74.6 | Confident | 61.3 | Low | 60 Ų | 60 | 116.2 Ų | 116.2 | 32% | 0.321 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -87.7 | -30.8 | -177.1 | -57.2 | -45.1 | 0 | 0 | 0 | 111.4 | N303 I304 K309 R310 | N303-D306 PolarHBondContact ND2-OD2 3.23Å; N303-D306 PolarHBondContact O-N 2.92Å; I304-D306 VanDerWaalsContact C-N 3.3Å; I304-D306 PolarHBondContact O-N 3.1Å; D306-K309 PolarHBondContact O-N 3.49Å; D306-K309 IonicContact OD1-NZ 2.73Å; D306-K309 PolarHBondContact OD1-NZ 3.24Å; D306-R310 WeakPolarHBondContact O-CB 3.39Å; D306-R310 PolarHBondContact O-N 2.93Å |
| 307 | E | 76.3 | Confident | 62.4 | Low | 82 Ų | 82 | 115.2 Ų | 115.2 | 38% | 0.383 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.2 | -40.2 | 167.6 | -175.3 | 127.1 | -109.9 | 0 | 0 | 112 | N303 I304 R310 M311 | N303-E307 PolarHBondContact O-N 3.36Å; I304-E307 PolarHBondContact O-N 2.84Å; E307-R310 WeakPolarHBondContact O-CB 3.45Å; E307-R310 PolarHBondContact O-N 3.34Å; E307-R310 IonicContact OE1-CZ 3.59Å; E307-R310 IonicContact OE1-NE 3.59Å; E307-R310 IonicContact OE1-NH2 3.37Å; E307-R310 PolarHBondContact OE1-NH2 3.2Å; E307-M311 WeakPolarHBondContact O-CG 3.35Å; E307-M311 PolarHBondContact O-N 2.78Å |
| 308 | M | 70.4 | Confident | 63.2 | Low | 120 Ų | 120 | 111.5 Ų | 111.5 | 59% | 0.591 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.5 | -41.9 | 172.5 | -75.5 | -173.2 | 76.8 | 0 | 0 | 112 | I304 R310 M311 L312 | I304-M308 HydrophobicContact CG2-CG 4.26Å; I304-M308 HydrophobicContact CG2-SD 4.13Å; I304-M308 WeakPolarHBondContact O-CB 3.44Å; I304-M308 VanDerWaalsContact O-CG 3.29Å; I304-M308 WeakPolarHBondContact O-CG 3.3Å; I304-M308 PolarHBondContact O-N 3.47Å; M308-R310 VanDerWaalsContact C-N 3.33Å; M308-R310 PolarHBondContact O-N 2.69Å; M308-M311 PolarHBondContact O-N 2.9Å; M308-L312 WeakPolarHBondContact O-CB 3.4Å; M308-L312 PolarHBondContact O-N 2.96Å |
| 309 | K | 74.1 | Confident | 64.1 | Low | 113 Ų | 113 | 111.9 Ų | 111.9 | 49% | 0.491 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.3 | -42.4 | 171 | -72 | 167.1 | -161.8 | 158.6 | 0 | 111.6 | T305 D306 L312 N313 | T305-K309 VanDerWaalsContact O-CG 3.26Å; T305-K309 WeakPolarHBondContact O-CG 3.38Å; T305-K309 PolarHBondContact O-N 2.58Å; T305-K309 VanDerWaalsContact O-N 3.17Å; D306-K309 PolarHBondContact O-N 3.49Å; D306-K309 IonicContact OD1-NZ 2.73Å; D306-K309 PolarHBondContact OD1-NZ 3.24Å; K309-L312 PolarHBondContact O-N 2.88Å; K309-N313 WeakPolarHBondContact O-CB 3.42Å; K309-N313 PolarHBondContact O-N 3.08Å |
| 310 | R | 81.2 | Confident | 64.4 | Low | 111 Ų | 111 | 114.4 Ų | 114.4 | 42% | 0.419 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.3 | -44 | 177.3 | -169.1 | -175 | 62.7 | 67.4 | -2 | 111.3 | D306 E307 M308 Q314 | D306-R310 WeakPolarHBondContact O-CB 3.39Å; D306-R310 PolarHBondContact O-N 2.93Å; E307-R310 WeakPolarHBondContact O-CB 3.45Å; E307-R310 PolarHBondContact O-N 3.34Å; E307-R310 IonicContact OE1-CZ 3.59Å; E307-R310 IonicContact OE1-NE 3.59Å; E307-R310 IonicContact OE1-NH2 3.37Å; E307-R310 PolarHBondContact OE1-NH2 3.2Å; M308-R310 VanDerWaalsContact C-N 3.33Å; M308-R310 PolarHBondContact O-N 2.69Å; R310-Q314 WeakPolarHBondContact O-CB 3.48Å; R310-Q314 PolarHBondContact O-N 3.24Å |
| 311 | M | 70.4 | Confident | 64.5 | Low | 100 Ų | 100 | 117.8 Ų | 117.8 | 49% | 0.493 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.4 | -40.5 | 174.4 | -66.4 | -158.6 | -52.4 | 0 | 0 | 112.6 | E307 M308 Q314 L315 | E307-M311 WeakPolarHBondContact O-CG 3.35Å; E307-M311 PolarHBondContact O-N 2.78Å; M308-M311 PolarHBondContact O-N 2.9Å; M311-Q314 PolarHBondContact O-N 3.16Å; M311-L315 VanDerWaalsContact O-CD1 3.32Å; M311-L315 WeakPolarHBondContact O-CD1 3.25Å; M311-L315 PolarHBondContact O-N 3.23Å |
| 312 | L | 69.4 | Low | 64.3 | Low | 115 Ų | 115 | 118.8 Ų | 118.8 | 60% | 0.602 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.7 | -41.7 | 179.1 | -160.3 | 85.4 | 0 | 0 | 0 | 111.8 | M308 K309 R316 | M308-L312 WeakPolarHBondContact O-CB 3.4Å; M308-L312 PolarHBondContact O-N 2.96Å; K309-L312 PolarHBondContact O-N 2.88Å; L312-R316 PolarHBondContact O-N 3.49Å |
| 313 | N | 70.2 | Confident | 64 | Low | 96 Ų | 96 | 119.9 Ų | 119.9 | 51% | 0.513 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.7 | -39.9 | 172.6 | -74.6 | 3.1 | 0 | 0 | 0 | 111.2 | K309 L315 R316 E317 | K309-N313 WeakPolarHBondContact O-CB 3.42Å; K309-N313 PolarHBondContact O-N 3.08Å; N313-L315 VanDerWaalsContact C-N 3.34Å; N313-L315 PolarHBondContact O-N 2.97Å; N313-R316 CarbonylContact O-C 3.58Å; N313-R316 WeakPolarHBondContact O-CB 3.39Å; N313-R316 PolarHBondContact O-N 3.48Å; N313-R316 VanDerWaalsContact O-N 3.14Å; N313-E317 WeakPolarHBondContact O-CB 3.41Å; N313-E317 PolarHBondContact O-N 3.4Å |
| 314 | Q | 71.6 | Confident | 63.1 | Low | 98 Ų | 98 | 119.9 Ų | 119.9 | 46% | 0.458 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.1 | -34.7 | 178.6 | -168.5 | 159.9 | 16.3 | 0 | 0 | 112.2 | R310 M311 E317 T318 | R310-Q314 WeakPolarHBondContact O-CB 3.48Å; R310-Q314 PolarHBondContact O-N 3.24Å; M311-Q314 PolarHBondContact O-N 3.16Å; Q314-E317 PolarHBondContact O-N 2.98Å; Q314-T318 PolarHBondContact O-N 3.46Å; Q314-T318 PolarHBondContact O-OG1 2.66Å |
| 315 | L | 64.8 | Low | 62.2 | Low | 110 Ų | 110 | 118.3 Ų | 118.3 | 58% | 0.576 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.8 | -45.2 | 169.3 | -98.9 | 76.5 | 0 | 0 | 0 | 111.8 | M311 N313 E317 T318 F319 | M311-L315 VanDerWaalsContact O-CD1 3.32Å; M311-L315 WeakPolarHBondContact O-CD1 3.25Å; M311-L315 PolarHBondContact O-N 3.23Å; N313-L315 VanDerWaalsContact C-N 3.34Å; N313-L315 PolarHBondContact O-N 2.97Å; L315-E317 PolarHBondContact O-N 2.96Å; L315-T318 PolarHBondContact O-N 3.43Å; L315-T318 PolarHBondContact O-OG1 3.48Å; L315-F319 PolarHBondContact O-N 2.91Å; L315-F319 VanDerWaalsContact O-N 3.09Å |
| 316 | R | 61 | Low | 61.1 | Low | 182 Ų | 182 | 121 Ų | 121 | 69% | 0.687 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.9 | -31.9 | 175.6 | -178.1 | -171.4 | -60 | -78.6 | -3.4 | 112.6 | L312 N313 | L312-R316 PolarHBondContact O-N 3.49Å; N313-R316 CarbonylContact O-C 3.58Å; N313-R316 WeakPolarHBondContact O-CB 3.39Å; N313-R316 PolarHBondContact O-N 3.48Å; N313-R316 VanDerWaalsContact O-N 3.14Å |
| 317 | E | 58.3 | Low | 59.6 | Low | 160 Ų | 160 | 122.1 Ų | 122.1 | 75% | 0.748 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -91.8 | -18.2 | -175.7 | -159.4 | 169.9 | -130.5 | 0 | 0 | 113 | N313 Q314 L315 | N313-E317 WeakPolarHBondContact O-CB 3.41Å; N313-E317 PolarHBondContact O-N 3.4Å; Q314-E317 PolarHBondContact O-N 2.98Å; L315-E317 PolarHBondContact O-N 2.96Å |
| 318 | T | 55.5 | Low | 58.1 | Low | 100 Ų | 100 | 123.9 Ų | 123.9 | 61% | 0.613 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -94 | -16.3 | 170.8 | 53.7 | 0 | 0 | 0 | 0 | 114.6 | Q314 L315 | Q314-T318 PolarHBondContact O-N 3.46Å; Q314-T318 PolarHBondContact O-OG1 2.66Å; L315-T318 PolarHBondContact O-N 3.43Å; L315-T318 PolarHBondContact O-OG1 3.48Å |
| 319 | F | 52.4 | Low | 56.8 | Low | 143 Ų | 143 | 123.7 Ų | 123.7 | 63% | 0.627 | 63% | 0.63 | S | S | * | * | trans | -101.1 | 88.4 | 166.5 | -81.8 | -88.7 | 0 | 0 | 0 | 108.7 | L315 I321 | L315-F319 PolarHBondContact O-N 2.91Å; L315-F319 VanDerWaalsContact O-N 3.09Å; F319-I321 HydrophobicContact CB-CD1 4.46Å; F319-I321 HydrophobicContact CB-CG1 4.37Å; F319-I321 PolarHBondContact O-N 2.74Å | ||
| 320 | E | 49.6 | Very low | 55.6 | Low | 185 Ų | 185 | 128.2 Ų | 128.2 | 86% | 0.864 | 64% | 0.644 | S | S | * | * | trans | -65.5 | 76.8 | 159.6 | -69.4 | -180 | 149.3 | 0 | 0 | 108.4 | ||||
| 321 | I | 43.4 | Very low | 54 | Low | 139 Ų | 139 | 130.7 Ų | 130.7 | 71% | 0.713 | 66% | 0.66 | S | S | * | * | trans | -85.8 | 108.7 | 156.4 | -63.3 | 169.3 | 0 | 0 | 0 | 104 | F319 D323 | F319-I321 HydrophobicContact CB-CD1 4.46Å; F319-I321 HydrophobicContact CB-CG1 4.37Å; F319-I321 PolarHBondContact O-N 2.74Å; I321-D323 PolarHBondContact O-N 3.49Å | ||
| 322 | D | 46.2 | Very low | 52.9 | Low | 135 Ų | 135 | 134.2 Ų | 134.2 | 72% | 0.722 | 68% | 0.675 | S | S | * | * | trans | -55.4 | 122.9 | 173.9 | -73.3 | -62.9 | 0 | 0 | 0 | 109.3 | D324 | D322-D324 PolarHBondContact O-N 2.99Š| ||
| 323 | D | 50.2 | Low | 51.8 | Low | 138 Ų | 138 | 132.5 Ų | 132.5 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | trans | -81.3 | 57.2 | -176.5 | -151.6 | -8.4 | 0 | 0 | 0 | 110.1 | I321 C325 | I321-D323 PolarHBondContact O-N 3.49Å; D323-C325 PolarHBondContact O-N 2.96Å | ||
| 324 | D | 46.5 | Very low | 51 | Low | 104 Ų | 104 | 135.6 Ų | 135.6 | 56% | 0.556 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -66.7 | 7.4 | -177.6 | -111.8 | -27.5 | 0 | 0 | 0 | 113.3 | D322 D326 S327 | D322-D324 PolarHBondContact O-N 2.99Å; D324-D326 PolarHBondContact O-N 3.3Å; D324-S327 WeakPolarHBondContact O-CB 3.43Å; D324-S327 PolarHBondContact O-N 3.07Å; D324-S327 WeakPolarHBondContact OD1-CB 3.27Å; D324-S327 PolarHBondContact OD1-OG 3.07Å |
| 325 | C | 49.3 | Very low | 50 | Low | 102 Ų | 102 | 136.2 Ų | 136.2 | 69% | 0.689 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -58.1 | -27.9 | 172.9 | -91.5 | 0 | 0 | 0 | 0 | 113.3 | D323 | D323-C325 PolarHBondContact O-N 2.96Š|
| 326 | D | 47.8 | Very low | 49.4 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 80% | 0.797 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -85.7 | -13.1 | 175 | -83.7 | -2.6 | 0 | 0 | 0 | 113.6 | D324 L328 | D324-D326 PolarHBondContact O-N 3.3Å; D326-L328 VanDerWaalsContact C-N 3.25Å; D326-L328 PolarHBondContact O-N 3.11Å |
| 327 | S | 43.9 | Very low | 48.8 | Very low | 82 Ų | 82 | 130.5 Ų | 130.5 | 57% | 0.573 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -16.9 | 174.8 | -70.7 | 0 | 0 | 0 | 0 | 112.8 | D324 T329 | D324-S327 WeakPolarHBondContact O-CB 3.43Å; D324-S327 PolarHBondContact O-N 3.07Å; D324-S327 WeakPolarHBondContact OD1-CB 3.27Å; D324-S327 PolarHBondContact OD1-OG 3.07Å; S327-T329 VanDerWaalsContact C-N 3.29Å; S327-T329 PolarHBondContact O-N 3.3Å |
| 328 | L | 43.8 | Very low | 48.4 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 63% | 0.628 | 66% | 0.661 | S | S | * | * | trans | -89.9 | 58.7 | 169.7 | -79.8 | 166.6 | 0 | 0 | 0 | 111.5 | D326 W330 | D326-L328 VanDerWaalsContact C-N 3.25Å; D326-L328 PolarHBondContact O-N 3.11Å; L328-W330 VanDerWaalsContact C-N 3.3Å; L328-W330 VanDerWaalsContact O-CD1 3.23Å; L328-W330 PolarHBondContact O-N 2.96Å | ||
| 329 | T | 43.9 | Very low | 48 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 71% | 0.712 | 66% | 0.661 | S | S | * | * | trans | -62.5 | 99.3 | 149.7 | 50.8 | 0 | 0 | 0 | 0 | 107.6 | S327 E331 | S327-T329 VanDerWaalsContact C-N 3.29Å; S327-T329 PolarHBondContact O-N 3.3Å; T329-E331 PolarHBondContact O-N 3.3Å | ||
| 330 | W | 47.5 | Very low | 47.5 | Very low | 208 Ų | 208 | 131 Ų | 131 | 79% | 0.788 | 67% | 0.665 | S | S | * | * | trans | -59.7 | 100.2 | 177.5 | -71.5 | 77.4 | 0 | 0 | 0 | 109.8 | L328 E332 | L328-W330 VanDerWaalsContact C-N 3.3Å; L328-W330 VanDerWaalsContact O-CD1 3.23Å; L328-W330 PolarHBondContact O-N 2.96Å; W330-E332 PolarHBondContact O-N 3.42Å | ||
| 331 | E | 47.4 | Very low | 47.5 | Very low | 163 Ų | 163 | 128 Ų | 128 | 76% | 0.762 | 65% | 0.651 | S | S | * | * | trans | -67.6 | 119.5 | 159 | -72.5 | -164.1 | 120.8 | 0 | 0 | 107.5 | T329 N333 | T329-E331 PolarHBondContact O-N 3.3Å; E331-N333 PolarHBondContact O-N 3.04Å | ||
| 332 | E | 47.9 | Very low | 47.7 | Very low | 173 Ų | 173 | 125.9 Ų | 125.9 | 81% | 0.808 | 64% | 0.641 | S | S | * | * | trans | -72.2 | 73.2 | 175.8 | -66.3 | -178.4 | 129.6 | 0 | 0 | 109.7 | W330 E334 | W330-E332 PolarHBondContact O-N 3.42Å; E332-E334 PolarHBondContact O-N 3Å | ||
| 333 | N | 46.1 | Very low | 47.3 | Very low | 80 Ų | 80 | 127.3 Ų | 127.3 | 43% | 0.428 | 64% | 0.642 | S | S | . | * | trans | -56.3 | 128.1 | 168.5 | -99.8 | 72.4 | 0 | 0 | 0 | 109.5 | E331 D335 T336 | E331-N333 PolarHBondContact O-N 3.04Å; N333-D335 PolarHBondContact ND2-OD2 2.92Å; N333-D335 PolarHBondContact O-N 3.5Å; N333-D335 VanDerWaalsContact O-N 3.11Å; N333-T336 WeakPolarHBondContact O-CB 3.27Å; N333-T336 PolarHBondContact O-N 2.93Å | ||
| 334 | E | 53.5 | Low | 47.2 | Very low | 161 Ų | 161 | 125 Ų | 125 | 75% | 0.752 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -58.7 | -26.3 | 177.4 | -62.4 | -173.6 | 165.4 | 0 | 0 | 111.6 | E332 T336 L337 L338 | E332-E334 PolarHBondContact O-N 3Å; E334-T336 VanDerWaalsContact C-N 3.29Å; E334-T336 PolarHBondContact O-N 3.49Å; E334-L337 PolarHBondContact O-N 3.5Å; E334-L338 PolarHBondContact O-N 3.39Å |
| 335 | D | 50.1 | Low | 47.1 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 59% | 0.594 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59 | -34.3 | 172.2 | -45.8 | -72.2 | 0 | 0 | 0 | 113.4 | N333 | N333-D335 PolarHBondContact ND2-OD2 2.92Å; N333-D335 PolarHBondContact O-N 3.5Å; N333-D335 VanDerWaalsContact O-N 3.11Å |
| 336 | T | 53.4 | Low | 47 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 43% | 0.429 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -78.4 | -30.4 | -179.1 | -52.1 | 0 | 0 | 0 | 0 | 111.7 | N333 E334 L339 | N333-T336 WeakPolarHBondContact O-CB 3.27Å; N333-T336 PolarHBondContact O-N 2.93Å; E334-T336 VanDerWaalsContact C-N 3.29Å; E334-T336 PolarHBondContact O-N 3.49Å; T336-L339 PolarHBondContact O-N 2.88Å |
| 337 | L | 48.7 | Very low | 46.9 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 53% | 0.529 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -69.6 | -39 | 176.7 | -71.1 | 165.6 | 0 | 0 | 0 | 111.6 | E334 L339 W340 E341 | E334-L337 PolarHBondContact O-N 3.5Å; L337-L339 PolarHBondContact O-N 3.48Å; L337-W340 PolarHBondContact O-N 2.92Å; L337-W340 VanDerWaalsContact O-N 3.09Å; L337-E341 PolarHBondContact O-N 3.46Å |
| 338 | L | 48.3 | Very low | 47.1 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 56% | 0.555 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -55.9 | -37.6 | 175.8 | -73.2 | 169.4 | 0 | 0 | 0 | 112.7 | E334 W340 E341 D342 | E334-L338 PolarHBondContact O-N 3.39Å; L338-W340 VanDerWaalsContact C-N 3.27Å; L338-W340 PolarHBondContact O-N 2.97Å; L338-E341 PolarHBondContact O-N 2.91Å; L338-D342 PolarHBondContact O-N 3.42Å |
| 339 | L | 47.8 | Very low | 47.1 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 61% | 0.613 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.3 | -26.2 | -179.5 | -146.1 | 79.5 | 0 | 0 | 0 | 113.3 | T336 L337 | T336-L339 PolarHBondContact O-N 2.88Å; L337-L339 PolarHBondContact O-N 3.48Å |
| 340 | W | 42.5 | Very low | 47 | Very low | 190 Ų | 190 | 127.8 Ų | 127.8 | 72% | 0.72 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -85.3 | -30.7 | 177 | -79.1 | 76 | 0 | 0 | 0 | 112.8 | L337 L338 D342 F343 T344 | L337-W340 PolarHBondContact O-N 2.92Å; L337-W340 VanDerWaalsContact O-N 3.09Å; L338-W340 VanDerWaalsContact C-N 3.27Å; L338-W340 PolarHBondContact O-N 2.97Å; W340-D342 VanDerWaalsContact C-N 3.35Å; W340-D342 PolarHBondContact O-N 3.23Å; W340-F343 PolarHBondContact O-N 3.39Å; W340-T344 PolarHBondContact O-N 3.03Å |
| 341 | E | 49 | Very low | 46.6 | Very low | 123 Ų | 123 | 122.5 Ų | 122.5 | 58% | 0.575 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.8 | -44.4 | 174.2 | -66.4 | -162.1 | 146.1 | 0 | 0 | 111 | L337 L338 F343 T344 N345 | L337-E341 PolarHBondContact O-N 3.46Å; L338-E341 PolarHBondContact O-N 2.91Å; E341-F343 PolarHBondContact O-N 3.24Å; E341-T344 PolarHBondContact O-N 3.15Å; E341-T344 PolarHBondContact O-OG1 3.44Å; E341-N345 PolarHBondContact O-N 2.97Å; E341-N345 PolarHBondContact O-ND2 3.38Å |
| 342 | D | 47.4 | Very low | 46.2 | Very low | 94 Ų | 94 | 120.8 Ų | 120.8 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -59.7 | -46.1 | 177.6 | -81.9 | -21.2 | 0 | 0 | 0 | 113.1 | L338 W340 T344 N345 Y346 | L338-D342 PolarHBondContact O-N 3.42Å; W340-D342 VanDerWaalsContact C-N 3.35Å; W340-D342 PolarHBondContact O-N 3.23Å; D342-T344 VanDerWaalsContact C-N 3.25Å; D342-T344 PolarHBondContact O-N 2.94Å; D342-N345 PolarHBondContact O-N 3.12Å; D342-N345 VanDerWaalsContact O-N 3.14Å; D342-Y346 WeakPolarHBondContact O-CD2 3.06Å; D342-Y346 PolarHBondContact O-N 3.48Å |
| 343 | F | 38.3 | Very low | 45.7 | Very low | 165 Ų | 165 | 115.8 Ų | 115.8 | 72% | 0.724 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.8 | -30.3 | 177.3 | -95.6 | -83.8 | 0 | 0 | 0 | 113.1 | W340 E341 | W340-F343 PolarHBondContact O-N 3.39Å; E341-F343 PolarHBondContact O-N 3.24Å |
| 344 | T | 48.6 | Very low | 45.4 | Very low | 91 Ų | 91 | 115.4 Ų | 115.4 | 56% | 0.558 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.7 | -32 | 173.7 | 63.7 | 0 | 0 | 0 | 0 | 113.2 | W340 E341 D342 N347 | W340-T344 PolarHBondContact O-N 3.03Å; E341-T344 PolarHBondContact O-N 3.15Å; E341-T344 PolarHBondContact O-OG1 3.44Å; D342-T344 VanDerWaalsContact C-N 3.25Å; D342-T344 PolarHBondContact O-N 2.94Å; T344-N347 PolarHBondContact O-N 3.46Å |
| 345 | N | 44.4 | Very low | 44.6 | Very low | 113 Ų | 113 | 113.4 Ų | 113.4 | 60% | 0.604 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.9 | -36.6 | 179.1 | -84.8 | -35.6 | 0 | 0 | 0 | 113.2 | E341 D342 N347 | E341-N345 PolarHBondContact O-N 2.97Å; E341-N345 PolarHBondContact O-ND2 3.38Å; D342-N345 PolarHBondContact O-N 3.12Å; D342-N345 VanDerWaalsContact O-N 3.14Å; N345-N347 VanDerWaalsContact C-N 3.33Å; N345-N347 PolarHBondContact O-N 3.03Å |
| 346 | Y | 47.3 | Very low | 43.9 | Very low | 204 Ų | 204 | 113.7 Ų | 113.7 | 80% | 0.8 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.6 | -19.7 | 178.8 | -79.1 | -74.8 | 0 | 0 | 0 | 114.2 | D342 M348 | D342-Y346 WeakPolarHBondContact O-CD2 3.06Å; D342-Y346 PolarHBondContact O-N 3.48Å; Y346-M348 PolarHBondContact O-N 3.38Å; Y346-M348 VanDerWaalsContact O-N 3.08Å |
| 347 | N | 45.8 | Very low | 43 | Very low | 134 Ų | 134 | 115 Ų | 115 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -84.6 | 33.4 | -179.6 | -158.1 | 0.8 | 0 | 0 | 0 | 113.3 | T344 N345 | T344-N347 PolarHBondContact O-N 3.46Å; N345-N347 VanDerWaalsContact C-N 3.33Å; N345-N347 PolarHBondContact O-N 3.03Å |
| 348 | M | 47.6 | Very low | 42.3 | Very low | 76 Ų | 76 | 115.1 Ų | 115.1 | 37% | 0.374 | 64% | 0.64 | S | S | . | * | trans | -131.7 | 73.9 | -175.5 | -105.1 | -53.8 | -61.5 | 0 | 0 | 116.8 | Y346 T351 I352 | Y346-M348 PolarHBondContact O-N 3.38Å; Y346-M348 VanDerWaalsContact O-N 3.08Å; M348-T351 WeakPolarHBondContact CE-OG1 3.42Å; M348-T351 HydrophobicContact SD-CG2 3.7Å; M348-T351 PolarHBondContact SD-N 2.8Å; M348-T351 PolarHBondContact SD-OG1 3.02Å; M348-I352 HydrophobicContact CE-CB 4.49Å; M348-I352 HydrophobicContact CE-CD1 3.76Å; M348-I352 HydrophobicContact CE-CG1 3.79Å | ||
| 349 | P | 43.1 | Very low | 41.8 | Very low | 106 Ų | 106 | 114.6 Ų | 114.6 | 69% | 0.688 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -96.8 | -26.6 | 146.9 | -14.5 | 31.9 | 0 | 0 | 0 | 114 | ||
| 350 | C | 43.2 | Very low | 41.1 | Very low | 98 Ų | 98 | 113.3 Ų | 113.3 | 66% | 0.662 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -97.5 | -32.9 | -154.6 | -73.6 | 0 | 0 | 0 | 0 | 117.9 | I352 A353 | C350-I352 VanDerWaalsContact C-N 3.31Å; C350-I352 PolarHBondContact O-N 3.37Å; C350-A353 PolarHBondContact O-N 3.48Å |
| 351 | T | 38.1 | Very low | 40.6 | Very low | 97 Ų | 97 | 110.4 Ų | 110.4 | 60% | 0.595 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71.7 | -22.9 | -170.1 | 72 | 0 | 0 | 0 | 0 | 114.3 | M348 A353 A354 | M348-T351 WeakPolarHBondContact CE-OG1 3.42Å; M348-T351 HydrophobicContact SD-CG2 3.7Å; M348-T351 PolarHBondContact SD-N 2.8Å; M348-T351 PolarHBondContact SD-OG1 3.02Å; T351-A353 VanDerWaalsContact C-N 3.27Å; T351-A353 PolarHBondContact O-N 3Å; T351-A354 PolarHBondContact O-N 3.28Å |
| 352 | I | 38.5 | Very low | 40.4 | Very low | 127 Ų | 127 | 110.7 Ų | 110.7 | 65% | 0.651 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.3 | -27.4 | 177.3 | -72.2 | 166.4 | 0 | 0 | 0 | 112 | M348 C350 A354 | M348-I352 HydrophobicContact CE-CB 4.49Å; M348-I352 HydrophobicContact CE-CD1 3.76Å; M348-I352 HydrophobicContact CE-CG1 3.79Å; C350-I352 VanDerWaalsContact C-N 3.31Å; C350-I352 PolarHBondContact O-N 3.37Å; I352-A354 VanDerWaalsContact C-N 3.33Å; I352-A354 PolarHBondContact O-N 3.29Å |
| 353 | A | 37.7 | Very low | 39.7 | Very low | 67 Ų | 67 | 109.6 Ų | 109.6 | 55% | 0.554 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -73.3 | -23 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | C350 T351 | C350-A353 PolarHBondContact O-N 3.48Å; T351-A353 VanDerWaalsContact C-N 3.27Å; T351-A353 PolarHBondContact O-N 3Å |
| 354 | A | 39.8 | Very low | 39.5 | Very low | 73 Ų | 73 | 111.2 Ų | 111.2 | 60% | 0.603 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -77.1 | -30 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T351 I352 T356 | T351-A354 PolarHBondContact O-N 3.28Å; I352-A354 VanDerWaalsContact C-N 3.33Å; I352-A354 PolarHBondContact O-N 3.29Å; A354-T356 PolarHBondContact O-N 3.27Å |
| 355 | T | 37.8 | Very low | 38.9 | Very low | 119 Ų | 119 | 110.4 Ų | 110.4 | 73% | 0.73 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -10.8 | -167.5 | -36 | 0 | 0 | 0 | 0 | 114.4 | ||
| 356 | T | 35 | Very low | 38.4 | Very low | 117 Ų | 117 | 110.3 Ų | 110.3 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -5.2 | -179.7 | 47.9 | 0 | 0 | 0 | 0 | 114.6 | A354 | A354-T356 PolarHBondContact O-N 3.27Š|
| 357 | C | 35 | Very low | 38.2 | Very low | 98 Ų | 98 | 105.9 Ų | 105.9 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | trans | -105.9 | 7.3 | -171.7 | -66.3 | 0 | 0 | 0 | 0 | 115 | A359 | C357-A359 PolarHBondContact O-N 3.23Š| ||
| 358 | A | 33.4 | Very low | 37.8 | Very low | 102 Ų | 102 | 108 Ų | 108 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 45.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 359 | A | 38.3 | Very low | 37.5 | Very low | 95 Ų | 95 | 108.8 Ų | 108.8 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.2 | 13.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | C357 | C357-A359 PolarHBondContact O-N 3.23Š|
| 360 | A | 32 | Very low | 37.6 | Very low | 91 Ų | 91 | 108.6 Ų | 108.6 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | trans | -155.6 | 110.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 361 | C | 33.1 | Very low | 37.7 | Very low | 129 Ų | 129 | 109.9 Ų | 109.9 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | trans | -121.4 | 149.2 | 156 | -56.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 362 | P | 44.6 | Very low | 38.3 | Very low | 129 Ų | 129 | 109.9 Ų | 109.9 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | -149.2 | 162.1 | 63 | 39.9 | -21.2 | 0 | 0 | 0 | 117.8 | |||||
| 363 | G | 32.6 | Very low | 38.7 | Very low | 71 Ų | 71 | 109.6 Ų | 109.6 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | trans | 86.5 | 149.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 364 | E | 33.1 | Very low | 39.5 | Very low | 199 Ų | 199 | 108.9 Ų | 108.9 | 93% | 0.93 | 75% | 0.754 | S | S | * | * | cis | -150.9 | 151.8 | -10.1 | -69.8 | -168.3 | 113.5 | 0 | 0 | 110.2 | ||||
| 365 | G | 36.3 | Very low | 40.6 | Very low | 74 Ų | 74 | 109.7 Ų | 109.7 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | trans | 85.4 | 165.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 366 | S | 33.5 | Very low | 42.1 | Very low | 110 Ų | 110 | 108.8 Ų | 108.8 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | trans | 52.6 | 89.3 | 163.7 | -56.4 | 0 | 0 | 0 | 0 | 118.5 | E368 | S366-E368 VanDerWaalsContact C-N 3.33Å; S366-E368 PolarHBondContact O-N 3.16Å | ||
| 367 | A | 43.4 | Very low | 44.2 | Very low | 112 Ų | 112 | 104.6 Ų | 104.6 | 93% | 0.926 | 73% | 0.726 | S | S | * | * | trans | -78.7 | 86 | 148.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 368 | E | 36.9 | Very low | 46.3 | Very low | 177 Ų | 177 | 103.4 Ų | 103.4 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | trans | -77.2 | 148.6 | 160.5 | -75.5 | -174.4 | 118.1 | 0 | 0 | 109.6 | S366 | S366-E368 VanDerWaalsContact C-N 3.33Å; S366-E368 PolarHBondContact O-N 3.16Å | ||
| 369 | A | 41.8 | Very low | 48.6 | Very low | 94 Ų | 94 | 103.4 Ų | 103.4 | 78% | 0.777 | 70% | 0.704 | S | S | * | * | trans | -69.2 | 136.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | D371 | A369-D371 PolarHBondContact O-N 2.87Å; A369-D371 VanDerWaalsContact O-N 3.14Å | ||
| 370 | A | 44.8 | Very low | 50.9 | Low | 101 Ų | 101 | 103 Ų | 103 | 84% | 0.835 | 69% | 0.688 | S | S | * | * | trans | -68.8 | 110.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 371 | D | 45.2 | Very low | 53.6 | Low | 126 Ų | 126 | 103.7 Ų | 103.7 | 67% | 0.674 | 68% | 0.679 | S | S | * | * | trans | -62.7 | 123 | 175.1 | -100.9 | -40.5 | 0 | 0 | 0 | 110.1 | A369 D373 G374 | A369-D371 PolarHBondContact O-N 2.87Å; A369-D371 VanDerWaalsContact O-N 3.14Å; D371-D373 PolarHBondContact O-N 3.45Å; D371-G374 PolarHBondContact O-N 2.86Å; D371-G374 VanDerWaalsContact O-N 3.17Å | ||
| 372 | P | 51.5 | Low | 56.1 | Low | 96 Ų | 96 | 103.2 Ų | 103.2 | 62% | 0.623 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -64.9 | -30.1 | -178.6 | 26.5 | -33.9 | 0 | 0 | 0 | 112.1 | G374 S375 L376 | P372-G374 PolarHBondContact O-N 3.3Å; P372-S375 PolarHBondContact O-N 3.49Å; P372-S375 VanDerWaalsContact O-N 3.17Å; P372-L376 PolarHBondContact O-N 2.94Å; P372-L376 VanDerWaalsContact O-N 3.09Å |
| 373 | D | 47 | Very low | 57.9 | Low | 122 Ų | 122 | 100 Ų | 100 | 65% | 0.652 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -61.8 | -31.1 | 176.7 | -74.2 | -10.8 | 0 | 0 | 0 | 112.4 | D371 L376 G377 | D371-D373 PolarHBondContact O-N 3.45Å; D373-L376 PolarHBondContact O-N 3.39Å; D373-G377 PolarHBondContact O-N 2.67Å |
| 374 | G | 53.9 | Low | 60.4 | Low | 51 Ų | 51 | 100.7 Ų | 100.7 | 53% | 0.526 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -66.9 | -37.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | D371 P372 S378 | D371-G374 PolarHBondContact O-N 2.86Å; D371-G374 VanDerWaalsContact O-N 3.17Å; P372-G374 PolarHBondContact O-N 3.3Å; G374-S378 WeakPolarHBondContact O-CB 3.43Å; G374-S378 PolarHBondContact O-N 3.37Å; G374-S378 VanDerWaalsContact O-N 3.14Å |
| 375 | S | 64 | Low | 63 | Low | 91 Ų | 91 | 95.2 Ų | 95.2 | 64% | 0.636 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.8 | -36.6 | 176.7 | -168.1 | 0 | 0 | 0 | 0 | 112.2 | P372 L379 | P372-S375 PolarHBondContact O-N 3.49Å; P372-S375 VanDerWaalsContact O-N 3.17Å; S375-L379 PolarHBondContact O-N 2.75Å |
| 376 | L | 67.9 | Low | 65.5 | Low | 99 Ų | 99 | 97.3 Ų | 97.3 | 52% | 0.518 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.8 | -42.7 | 177.7 | -177.3 | 59.8 | 0 | 0 | 0 | 111.5 | P372 D373 L379 I380 | P372-L376 PolarHBondContact O-N 2.94Å; P372-L376 VanDerWaalsContact O-N 3.09Å; D373-L376 PolarHBondContact O-N 3.39Å; L376-L379 PolarHBondContact O-N 3.27Å; L376-I380 HydrophobicContact CD1-CD1 4.34Å; L376-I380 HydrophobicContact CG-CD1 4.04Å; L376-I380 WeakPolarHBondContact O-CG1 3.48Å; L376-I380 PolarHBondContact O-N 2.88Å |
| 377 | G | 80.8 | Confident | 68.1 | Low | 30 Ų | 30 | 99.3 Ų | 99.3 | 31% | 0.309 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.5 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | D373 L379 I380 D381 | D373-G377 PolarHBondContact O-N 2.67Å; G377-L379 VanDerWaalsContact C-N 3.29Å; G377-L379 PolarHBondContact O-N 3.28Å; G377-I380 PolarHBondContact O-N 2.96Å; G377-D381 PolarHBondContact O-N 2.94Å |
| 378 | S | 78.9 | Confident | 70.3 | Confident | 73 Ų | 73 | 99.2 Ų | 99.2 | 51% | 0.51 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.9 | -36.7 | 176.1 | -169.8 | 0 | 0 | 0 | 0 | 112.9 | G374 E382 | G374-S378 WeakPolarHBondContact O-CB 3.43Å; G374-S378 PolarHBondContact O-N 3.37Å; G374-S378 VanDerWaalsContact O-N 3.14Å; S378-E382 WeakPolarHBondContact O-CB 3.28Å; S378-E382 PolarHBondContact O-N 2.59Å |
| 379 | L | 80.8 | Confident | 72.9 | Confident | 101 Ų | 101 | 93.7 Ų | 93.7 | 53% | 0.529 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.5 | -37.8 | 177 | -169 | 72.8 | 0 | 0 | 0 | 111.5 | S375 L376 G377 E382 T383 | S375-L379 PolarHBondContact O-N 2.75Å; L376-L379 PolarHBondContact O-N 3.27Å; G377-L379 VanDerWaalsContact C-N 3.29Å; G377-L379 PolarHBondContact O-N 3.28Å; L379-E382 PolarHBondContact O-N 2.73Å; L379-T383 WeakPolarHBondContact O-CG2 3.3Å; L379-T383 PolarHBondContact O-N 2.97Å; L379-T383 PolarHBondContact O-OG1 2.76Å |
| 380 | I | 86.2 | Confident | 75.2 | Confident | 88 Ų | 88 | 94.9 Ų | 94.9 | 45% | 0.451 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63 | -50.4 | 174.3 | -69.1 | 165.1 | 0 | 0 | 0 | 109.9 | L376 G377 E382 T383 E384 | L376-I380 HydrophobicContact CD1-CD1 4.34Å; L376-I380 HydrophobicContact CG-CD1 4.04Å; L376-I380 WeakPolarHBondContact O-CG1 3.48Å; L376-I380 PolarHBondContact O-N 2.88Å; G377-I380 PolarHBondContact O-N 2.96Å; I380-E382 VanDerWaalsContact C-N 3.3Å; I380-E382 PolarHBondContact O-N 2.86Å; I380-T383 PolarHBondContact O-N 2.92Å; I380-T383 PolarHBondContact O-OG1 2.96Å; I380-E384 WeakPolarHBondContact O-CB 3.35Å; I380-E384 PolarHBondContact O-N 3.42Å |
| 381 | D | 88.7 | Confident | 77.4 | Confident | 104 Ų | 104 | 95.9 Ų | 95.9 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.9 | -40.4 | 176.3 | -76 | -19.5 | 0 | 0 | 0 | 112.2 | G377 E384 T385 | G377-D381 PolarHBondContact O-N 2.94Å; D381-E384 PolarHBondContact O-N 3.36Å; D381-T385 WeakPolarHBondContact O-CB 3.37Å; D381-T385 WeakPolarHBondContact O-CG2 3.33Å; D381-T385 PolarHBondContact O-N 2.89Å; D381-T385 PolarHBondContact O-OG1 2.69Å |
| 382 | E | 86.5 | Confident | 79.7 | Confident | 119 Ų | 119 | 95.4 Ų | 95.4 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.6 | -41.7 | 178.1 | -165.4 | 161.9 | -128.1 | 0 | 0 | 111.7 | S378 L379 I380 T385 L386 | S378-E382 WeakPolarHBondContact O-CB 3.28Å; S378-E382 PolarHBondContact O-N 2.59Å; L379-E382 PolarHBondContact O-N 2.73Å; I380-E382 VanDerWaalsContact C-N 3.3Å; I380-E382 PolarHBondContact O-N 2.86Å; E382-T385 WeakPolarHBondContact CA-OG1 3.36Å; E382-T385 PolarHBondContact O-OG1 3.36Å; E382-L386 WeakPolarHBondContact O-CG 3.43Å; E382-L386 PolarHBondContact O-N 3.09Å |
| 383 | T | 83.1 | Confident | 81.6 | Confident | 61 Ų | 61 | 94.8 Ų | 94.8 | 37% | 0.374 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 172 | 60.3 | 0 | 0 | 0 | 0 | 113 | L379 I380 T385 L386 F387 | L379-T383 WeakPolarHBondContact O-CG2 3.3Å; L379-T383 PolarHBondContact O-N 2.97Å; L379-T383 PolarHBondContact O-OG1 2.76Å; I380-T383 PolarHBondContact O-N 2.92Å; I380-T383 PolarHBondContact O-OG1 2.96Å; T383-T385 PolarHBondContact O-N 2.92Å; T383-L386 PolarHBondContact O-N 2.98Å; T383-F387 WeakPolarHBondContact O-CD2 3.28Å; T383-F387 PolarHBondContact O-N 2.99Å |
| 384 | E | 84.1 | Confident | 83.7 | Confident | 87 Ų | 87 | 95 Ų | 95 | 41% | 0.407 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -37.4 | 178.2 | -165.2 | -175.9 | 154.3 | 0 | 0 | 111.4 | I380 D381 F387 K388 | I380-E384 WeakPolarHBondContact O-CB 3.35Å; I380-E384 PolarHBondContact O-N 3.42Å; D381-E384 PolarHBondContact O-N 3.36Å; E384-F387 PolarHBondContact O-N 2.96Å; E384-K388 VanDerWaalsContact CD-NZ 3.33Å; E384-K388 HydrophobicContact CG-CD 4.37Å; E384-K388 WeakPolarHBondContact O-CB 3.46Å; E384-K388 VanDerWaalsContact O-CG 3.28Å; E384-K388 WeakPolarHBondContact O-CG 3.35Å; E384-K388 PolarHBondContact O-N 3.04Å; E384-K388 WeakPolarHBondContact OE1-CE 3.39Å; E384-K388 IonicContact OE1-NZ 3.18Å; E384-K388 PolarHBondContact OE1-NZ 3.41Å |
| 385 | T | 86.9 | Confident | 85.6 | Confident | 84 Ų | 84 | 98.1 Ų | 98.1 | 52% | 0.515 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.9 | -35.9 | 173.7 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | D381 E382 T383 K388 S389 | D381-T385 WeakPolarHBondContact O-CB 3.37Å; D381-T385 WeakPolarHBondContact O-CG2 3.33Å; D381-T385 PolarHBondContact O-N 2.89Å; D381-T385 PolarHBondContact O-OG1 2.69Å; E382-T385 WeakPolarHBondContact CA-OG1 3.36Å; E382-T385 PolarHBondContact O-OG1 3.36Å; T383-T385 PolarHBondContact O-N 2.92Å; T385-K388 PolarHBondContact O-N 3.38Å; T385-S389 WeakPolarHBondContact O-CB 3.28Å; T385-S389 PolarHBondContact O-N 3.01Å |
| 386 | L | 89.2 | Confident | 87.1 | Confident | 117 Ų | 117 | 99.3 Ų | 99.3 | 61% | 0.613 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.5 | -47.5 | 170.1 | -74.8 | 168.5 | 0 | 0 | 0 | 111.9 | E382 T383 K388 S389 R390 | E382-L386 WeakPolarHBondContact O-CG 3.43Å; E382-L386 PolarHBondContact O-N 3.09Å; T383-L386 PolarHBondContact O-N 2.98Å; L386-K388 PolarHBondContact O-N 3.32Å; L386-S389 PolarHBondContact O-N 3.39Å; L386-R390 WeakPolarHBondContact O-CB 3.46Å; L386-R390 PolarHBondContact O-N 3.47Å |
| 387 | F | 88.4 | Confident | 88.4 | Confident | 153 Ų | 153 | 98.3 Ų | 98.3 | 67% | 0.671 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.6 | -43.8 | 176.5 | -76 | -60.9 | 0 | 0 | 0 | 112.3 | T383 E384 S389 R390 E391 | T383-F387 WeakPolarHBondContact O-CD2 3.28Å; T383-F387 PolarHBondContact O-N 2.99Å; E384-F387 PolarHBondContact O-N 2.96Å; F387-S389 PolarHBondContact O-N 3.23Å; F387-R390 PolarHBondContact O-N 3.25Å; F387-E391 WeakPolarHBondContact O-CB 3.48Å; F387-E391 PolarHBondContact O-N 3.41Å |
| 388 | K | 90.4 | Very high | 89 | Confident | 110 Ų | 110 | 100.7 Ų | 100.7 | 48% | 0.478 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -38.8 | 175.1 | -74.7 | 167.9 | -178.2 | 165.4 | 0 | 112.9 | E384 T385 L386 R390 K392 | E384-K388 VanDerWaalsContact CD-NZ 3.33Å; E384-K388 HydrophobicContact CG-CD 4.37Å; E384-K388 WeakPolarHBondContact O-CB 3.46Å; E384-K388 VanDerWaalsContact O-CG 3.28Å; E384-K388 WeakPolarHBondContact O-CG 3.35Å; E384-K388 PolarHBondContact O-N 3.04Å; E384-K388 WeakPolarHBondContact OE1-CE 3.39Å; E384-K388 IonicContact OE1-NZ 3.18Å; E384-K388 PolarHBondContact OE1-NZ 3.41Å; T385-K388 PolarHBondContact O-N 3.38Å; L386-K388 PolarHBondContact O-N 3.32Å; K388-R390 VanDerWaalsContact C-N 3.33Å; K388-K392 WeakPolarHBondContact O-CB 3.37Å; K388-K392 PolarHBondContact O-N 2.99Å |
| 389 | S | 91.2 | Very high | 89.7 | Confident | 60 Ų | 60 | 98.8 Ų | 98.8 | 42% | 0.42 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 174.3 | -165.8 | 0 | 0 | 0 | 0 | 110.8 | T385 L386 F387 K392 E393 | T385-S389 WeakPolarHBondContact O-CB 3.28Å; T385-S389 PolarHBondContact O-N 3.01Å; L386-S389 PolarHBondContact O-N 3.39Å; F387-S389 PolarHBondContact O-N 3.23Å; S389-K392 WeakPolarHBondContact O-CB 3.49Å; S389-K392 PolarHBondContact O-N 3.49Å; S389-E393 WeakPolarHBondContact O-CG 3.46Å; S389-E393 PolarHBondContact O-N 3.33Å |
| 390 | R | 90.3 | Very high | 90.5 | Very high | 120 Ų | 120 | 98.1 Ų | 98.1 | 45% | 0.453 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.6 | -38.7 | -179.4 | -168.3 | 57.1 | 175.5 | -178.2 | -0.7 | 113.2 | L386 F387 K388 K392 E393 Y394 | L386-R390 WeakPolarHBondContact O-CB 3.46Å; L386-R390 PolarHBondContact O-N 3.47Å; F387-R390 PolarHBondContact O-N 3.25Å; K388-R390 VanDerWaalsContact C-N 3.33Å; R390-K392 VanDerWaalsContact C-N 3.32Å; R390-E393 WeakPolarHBondContact CD-OE2 3.15Å; R390-E393 IonicContact CZ-OE2 2.8Å; R390-E393 IonicContact NE-OE2 3.8Å; R390-E393 IonicContact NH1-OE2 3.65Å; R390-E393 PolarHBondContact NH1-OE2 2.83Å; R390-E393 PolarHBondContact O-N 3.16Å; R390-Y394 HydrophobicContact CG-CD2 4.38Å; R390-Y394 HydrophobicContact CG-CE2 3.78Å; R390-Y394 VanDerWaalsContact NE-CZ 3.25Å; R390-Y394 PolarHBondContact NE-OH 3.47Å; R390-Y394 PolarHBondContact NH2-OH 2.85Å; R390-Y394 VanDerWaalsContact O-CD2 3.32Å; R390-Y394 WeakPolarHBondContact O-CD2 3.46Å; R390-Y394 PolarHBondContact O-N 3.18Å; R390-Y394 VanDerWaalsContact O-N 3.1Å |
| 391 | E | 90.1 | Very high | 91 | Very high | 122 Ų | 122 | 99 Ų | 99 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.5 | -45.6 | 170.2 | -178.9 | 177.9 | -150.5 | 0 | 0 | 110.7 | F387 E393 Y394 Q395 | F387-E391 WeakPolarHBondContact O-CB 3.48Å; F387-E391 PolarHBondContact O-N 3.41Å; E391-E393 PolarHBondContact O-N 3.16Å; E391-Y394 PolarHBondContact O-N 3.43Å; E391-Q395 WeakPolarHBondContact O-CG 3.19Å; E391-Q395 PolarHBondContact O-N 3.17Å |
| 392 | K | 93.5 | Very high | 91.2 | Very high | 115 Ų | 115 | 100.2 Ų | 100.2 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 176.9 | -177.2 | 178.9 | 172.5 | -67.2 | 0 | 112.8 | K388 S389 R390 Y394 Q395 E396 | K388-K392 WeakPolarHBondContact O-CB 3.37Å; K388-K392 PolarHBondContact O-N 2.99Å; S389-K392 WeakPolarHBondContact O-CB 3.49Å; S389-K392 PolarHBondContact O-N 3.49Å; R390-K392 VanDerWaalsContact C-N 3.32Å; K392-Y394 VanDerWaalsContact C-N 3.34Å; K392-Y394 PolarHBondContact O-N 3.15Å; K392-Q395 PolarHBondContact O-N 2.92Å; K392-E396 WeakPolarHBondContact CE-OE1 3.46Å; K392-E396 VanDerWaalsContact NZ-CD 3.26Å; K392-E396 IonicContact NZ-OE1 2.6Å; K392-E396 PolarHBondContact NZ-OE1 2.86Å; K392-E396 IonicContact NZ-OE2 2.83Å; K392-E396 PolarHBondContact NZ-OE2 3.31Å; K392-E396 WeakPolarHBondContact O-CG 3.44Å; K392-E396 PolarHBondContact O-N 2.97Å |
| 393 | E | 92.6 | Very high | 91.7 | Very high | 84 Ų | 84 | 99.5 Ų | 99.5 | 39% | 0.393 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 173.4 | -74.9 | 173.4 | -178.2 | 0 | 0 | 112.2 | S389 R390 E391 T397 | S389-E393 WeakPolarHBondContact O-CG 3.46Å; S389-E393 PolarHBondContact O-N 3.33Å; R390-E393 WeakPolarHBondContact CD-OE2 3.15Å; R390-E393 IonicContact CZ-OE2 2.8Å; R390-E393 IonicContact NE-OE2 3.8Å; R390-E393 IonicContact NH1-OE2 3.65Å; R390-E393 PolarHBondContact NH1-OE2 2.83Å; R390-E393 PolarHBondContact O-N 3.16Å; E391-E393 PolarHBondContact O-N 3.16Å; E393-T397 WeakPolarHBondContact O-CB 3.35Å; E393-T397 PolarHBondContact O-N 3Å; E393-T397 PolarHBondContact O-OG1 3.49Å |
| 394 | Y | 91.1 | Very high | 92.4 | Very high | 125 Ų | 125 | 102.1 Ų | 102.1 | 49% | 0.49 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 176 | -65.4 | -38.2 | 0 | 0 | 0 | 112.2 | R390 E391 K392 T397 I398 | R390-Y394 HydrophobicContact CG-CD2 4.38Å; R390-Y394 HydrophobicContact CG-CE2 3.78Å; R390-Y394 VanDerWaalsContact NE-CZ 3.25Å; R390-Y394 PolarHBondContact NE-OH 3.47Å; R390-Y394 PolarHBondContact NH2-OH 2.85Å; R390-Y394 VanDerWaalsContact O-CD2 3.32Å; R390-Y394 WeakPolarHBondContact O-CD2 3.46Å; R390-Y394 PolarHBondContact O-N 3.18Å; R390-Y394 VanDerWaalsContact O-N 3.1Å; E391-Y394 PolarHBondContact O-N 3.43Å; K392-Y394 VanDerWaalsContact C-N 3.34Å; K392-Y394 PolarHBondContact O-N 3.15Å; Y394-T397 WeakPolarHBondContact O-CB 3.44Å; Y394-T397 PolarHBondContact O-N 3.01Å; Y394-I398 VanDerWaalsContact O-CG1 3.27Å; Y394-I398 WeakPolarHBondContact O-CG1 3.34Å; Y394-I398 PolarHBondContact O-N 3.09Å |
| 395 | Q | 93.2 | Very high | 92.9 | Very high | 118 Ų | 118 | 104 Ų | 104 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.9 | -41.7 | 175.6 | -68.8 | -68.6 | -11.2 | 0 | 0 | 112.4 | E391 K392 T397 I398 G399 | E391-Q395 WeakPolarHBondContact O-CG 3.19Å; E391-Q395 PolarHBondContact O-N 3.17Å; K392-Q395 PolarHBondContact O-N 2.92Å; Q395-T397 VanDerWaalsContact C-N 3.34Å; Q395-T397 PolarHBondContact O-N 2.67Å; Q395-I398 PolarHBondContact O-N 3.5Å; Q395-G399 PolarHBondContact O-N 3.31Å |
| 396 | E | 95.2 | Very high | 93.3 | Very high | 116 Ų | 116 | 102.8 Ų | 102.8 | 54% | 0.542 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -37.2 | 174.3 | -74.6 | 178.5 | 173.3 | 0 | 0 | 111.9 | K392 Q400 | K392-E396 WeakPolarHBondContact CE-OE1 3.46Å; K392-E396 VanDerWaalsContact NZ-CD 3.26Å; K392-E396 IonicContact NZ-OE1 2.6Å; K392-E396 PolarHBondContact NZ-OE1 2.86Å; K392-E396 IonicContact NZ-OE2 2.83Å; K392-E396 PolarHBondContact NZ-OE2 3.31Å; K392-E396 WeakPolarHBondContact O-CG 3.44Å; K392-E396 PolarHBondContact O-N 2.97Å; E396-Q400 WeakPolarHBondContact O-CB 3.45Å; E396-Q400 PolarHBondContact O-N 3.46Å |
| 397 | T | 95.6 | Very high | 93.7 | Very high | 77 Ų | 77 | 101 Ų | 101 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 175 | -56.5 | 0 | 0 | 0 | 0 | 112 | E393 Y394 Q395 Q400 I401 | E393-T397 WeakPolarHBondContact O-CB 3.35Å; E393-T397 PolarHBondContact O-N 3Å; E393-T397 PolarHBondContact O-OG1 3.49Å; Y394-T397 WeakPolarHBondContact O-CB 3.44Å; Y394-T397 PolarHBondContact O-N 3.01Å; Q395-T397 VanDerWaalsContact C-N 3.34Å; Q395-T397 PolarHBondContact O-N 2.67Å; T397-Q400 PolarHBondContact O-N 2.9Å; T397-I401 HydrophobicContact CG2-CD1 4.1Å; T397-I401 WeakPolarHBondContact O-CG1 2.72Å; T397-I401 PolarHBondContact O-N 2.9Å; T397-I401 VanDerWaalsContact O-N 3.11Å |
| 398 | I | 92.2 | Very high | 94 | Very high | 81 Ų | 81 | 96.5 Ų | 96.5 | 42% | 0.415 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -50.7 | 176 | -69.7 | 162 | 0 | 0 | 0 | 110.1 | Y394 Q395 Q400 I401 E402 | Y394-I398 VanDerWaalsContact O-CG1 3.27Å; Y394-I398 WeakPolarHBondContact O-CG1 3.34Å; Y394-I398 PolarHBondContact O-N 3.09Å; Q395-I398 PolarHBondContact O-N 3.5Å; I398-Q400 VanDerWaalsContact C-N 3.28Å; I398-Q400 PolarHBondContact O-N 3.35Å; I398-I401 PolarHBondContact O-N 3.06Å; I398-I401 VanDerWaalsContact O-N 3.07Å; I398-E402 HydrophobicContact CG2-CG 4.4Å; I398-E402 WeakPolarHBondContact O-CG 3.36Å; I398-E402 PolarHBondContact O-N 2.8Å |
| 399 | G | 95.4 | Very high | 94.3 | Very high | 32 Ų | 32 | 98.2 Ų | 98.2 | 33% | 0.33 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.9 | -34 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q395 M403 | Q395-G399 PolarHBondContact O-N 3.31Å; G399-M403 WeakPolarHBondContact O-CB 3.44Å; G399-M403 PolarHBondContact O-N 3.06Å |
| 400 | Q | 97.7 | Very high | 94.6 | Very high | 88 Ų | 88 | 99 Ų | 99 | 41% | 0.411 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | 172.2 | 179.5 | 62.4 | 29.3 | 0 | 0 | 111.7 | E396 T397 I398 M403 E404 | E396-Q400 WeakPolarHBondContact O-CB 3.45Å; E396-Q400 PolarHBondContact O-N 3.46Å; T397-Q400 PolarHBondContact O-N 2.9Å; I398-Q400 VanDerWaalsContact C-N 3.28Å; I398-Q400 PolarHBondContact O-N 3.35Å; Q400-M403 PolarHBondContact O-N 3.37Å; Q400-E404 PolarHBondContact NE2-OE1 3.11Å; Q400-E404 WeakPolarHBondContact O-CG 3.47Å; Q400-E404 PolarHBondContact O-N 3.45Å |
| 401 | I | 95.4 | Very high | 95 | Very high | 107 Ų | 107 | 96.8 Ų | 96.8 | 55% | 0.549 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 178.1 | -67.6 | 165.3 | 0 | 0 | 0 | 111.1 | T397 I398 E404 L405 | T397-I401 HydrophobicContact CG2-CD1 4.1Å; T397-I401 WeakPolarHBondContact O-CG1 2.72Å; T397-I401 PolarHBondContact O-N 2.9Å; T397-I401 VanDerWaalsContact O-N 3.11Å; I398-I401 PolarHBondContact O-N 3.06Å; I398-I401 VanDerWaalsContact O-N 3.07Å; I401-E404 PolarHBondContact O-N 3.25Å; I401-L405 WeakPolarHBondContact O-CB 3.44Å; I401-L405 PolarHBondContact O-N 2.93Å |
| 402 | E | 93.9 | Very high | 95.4 | Very high | 128 Ų | 128 | 97.7 Ų | 97.7 | 60% | 0.598 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63 | -41.2 | 175.4 | -70.7 | -176.6 | 154.4 | 0 | 0 | 112.3 | I398 L405 A406 | I398-E402 HydrophobicContact CG2-CG 4.4Å; I398-E402 WeakPolarHBondContact O-CG 3.36Å; I398-E402 PolarHBondContact O-N 2.8Å; E402-L405 PolarHBondContact O-N 3Å; E402-A406 WeakPolarHBondContact O-CB 3.31Å; E402-A406 PolarHBondContact O-N 3.32Å |
| 403 | M | 96.6 | Very high | 95.5 | Very high | 104 Ų | 104 | 96.2 Ų | 96.2 | 51% | 0.512 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 176.2 | -179.3 | 172.9 | 56.5 | 0 | 0 | 112.3 | G399 Q400 A406 T407 | G399-M403 WeakPolarHBondContact O-CB 3.44Å; G399-M403 PolarHBondContact O-N 3.06Å; Q400-M403 PolarHBondContact O-N 3.37Å; M403-A406 PolarHBondContact O-N 3.47Å; M403-T407 WeakPolarHBondContact O-CB 3.49Å; M403-T407 PolarHBondContact O-N 2.81Å; M403-T407 PolarHBondContact O-OG1 3.28Å |
| 404 | E | 96.6 | Very high | 95.8 | Very high | 116 Ų | 116 | 96.5 Ų | 96.5 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 173.8 | -74.8 | -178.6 | -155 | 0 | 0 | 111.8 | Q400 I401 A406 T407 A408 | Q400-E404 PolarHBondContact NE2-OE1 3.11Å; Q400-E404 WeakPolarHBondContact O-CG 3.47Å; Q400-E404 PolarHBondContact O-N 3.45Å; I401-E404 PolarHBondContact O-N 3.25Å; E404-A406 PolarHBondContact O-N 2.85Å; E404-T407 PolarHBondContact O-N 2.91Å; E404-A408 WeakPolarHBondContact O-CB 3.46Å; E404-A408 PolarHBondContact O-N 2.95Å |
| 405 | L | 94.7 | Very high | 96.1 | Very high | 127 Ų | 127 | 95.6 Ų | 95.6 | 67% | 0.665 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.9 | -46.1 | 174.6 | -174.2 | 75.1 | 0 | 0 | 0 | 111.7 | I401 E402 T407 A408 K409 | I401-L405 WeakPolarHBondContact O-CB 3.44Å; I401-L405 PolarHBondContact O-N 2.93Å; E402-L405 PolarHBondContact O-N 3Å; L405-T407 VanDerWaalsContact C-N 3.31Å; L405-T407 PolarHBondContact O-N 3.1Å; L405-A408 PolarHBondContact O-N 2.83Å; L405-K409 VanDerWaalsContact O-CB 3.3Å; L405-K409 WeakPolarHBondContact O-CB 3.45Å; L405-K409 PolarHBondContact O-N 2.7Å |
| 406 | A | 95.6 | Very high | 96.3 | Very high | 59 Ų | 59 | 94.6 Ų | 94.6 | 49% | 0.488 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -39.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | E402 M403 E404 S410 | E402-A406 WeakPolarHBondContact O-CB 3.31Å; E402-A406 PolarHBondContact O-N 3.32Å; M403-A406 PolarHBondContact O-N 3.47Å; E404-A406 PolarHBondContact O-N 2.85Å; A406-S410 PolarHBondContact O-N 3.41Å |
| 407 | T | 97.3 | Very high | 96.5 | Very high | 78 Ų | 78 | 94.9 Ų | 94.9 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.9 | -49.3 | 178.2 | -57.9 | 0 | 0 | 0 | 0 | 111 | M403 E404 L405 K409 S410 D411 | M403-T407 WeakPolarHBondContact O-CB 3.49Å; M403-T407 PolarHBondContact O-N 2.81Å; M403-T407 PolarHBondContact O-OG1 3.28Å; E404-T407 PolarHBondContact O-N 2.91Å; L405-T407 VanDerWaalsContact C-N 3.31Å; L405-T407 PolarHBondContact O-N 3.1Å; T407-K409 VanDerWaalsContact C-N 3.32Å; T407-K409 PolarHBondContact O-N 2.83Å; T407-S410 WeakPolarHBondContact O-CB 3.44Å; T407-S410 PolarHBondContact O-N 3.48Å; T407-S410 VanDerWaalsContact O-N 3.12Å; T407-D411 PolarHBondContact O-N 2.88Å |
| 408 | A | 94.8 | Very high | 96.6 | Very high | 59 Ų | 59 | 95.1 Ų | 95.1 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E404 L405 D411 M412 | E404-A408 WeakPolarHBondContact O-CB 3.46Å; E404-A408 PolarHBondContact O-N 2.95Å; L405-A408 PolarHBondContact O-N 2.83Å; A408-D411 PolarHBondContact O-N 3.32Å; A408-M412 WeakPolarHBondContact O-CB 3.42Å; A408-M412 PolarHBondContact O-N 2.94Å |
| 409 | K | 97.8 | Very high | 96.9 | Very high | 147 Ų | 147 | 98.8 Ų | 98.8 | 64% | 0.639 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.9 | -40.3 | 173.5 | -172.4 | 176.4 | -177.2 | 177.9 | 0 | 111.9 | L405 T407 N413 | L405-K409 VanDerWaalsContact O-CB 3.3Å; L405-K409 WeakPolarHBondContact O-CB 3.45Å; L405-K409 PolarHBondContact O-N 2.7Å; T407-K409 VanDerWaalsContact C-N 3.32Å; T407-K409 PolarHBondContact O-N 2.83Å; K409-N413 PolarHBondContact O-N 2.85Å; K409-N413 VanDerWaalsContact O-N 3.15Å |
| 410 | S | 97.9 | Very high | 97 | Very high | 77 Ų | 77 | 102.6 Ų | 102.6 | 54% | 0.538 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -47.7 | 175.2 | -167.6 | 0 | 0 | 0 | 0 | 111.9 | A406 T407 M412 N413 R414 | A406-S410 PolarHBondContact O-N 3.41Å; T407-S410 WeakPolarHBondContact O-CB 3.44Å; T407-S410 PolarHBondContact O-N 3.48Å; T407-S410 VanDerWaalsContact O-N 3.12Å; S410-M412 PolarHBondContact O-N 3.42Å; S410-N413 PolarHBondContact O-N 2.78Å; S410-R414 PolarHBondContact O-N 2.87Å |
| 411 | D | 98 | Very high | 97 | Very high | 73 Ų | 73 | 105.3 Ų | 105.3 | 39% | 0.39 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -35.9 | 179.2 | -97.2 | -26.8 | 0 | 0 | 0 | 113.1 | T407 A408 R414 H415 | T407-D411 PolarHBondContact O-N 2.88Å; A408-D411 PolarHBondContact O-N 3.32Å; D411-R414 PolarHBondContact O-N 3.36Å; D411-R414 IonicContact OD1-CZ 3.91Å; D411-R414 IonicContact OD1-NE 3.1Å; D411-R414 PolarHBondContact OD1-NE 2.94Å; D411-R414 IonicContact OD1-NH2 3.53Å; D411-R414 PolarHBondContact OD1-NH2 3.26Å; D411-H415 PolarHBondContact O-CD2 3.31Å; D411-H415 VanDerWaalsContact O-CD2 3.28Å; D411-H415 PolarHBondContact O-N 3.16Å |
| 412 | M | 97.8 | Very high | 97.1 | Very high | 141 Ų | 141 | 106.3 Ų | 106.3 | 70% | 0.695 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.8 | -40.9 | 173.6 | -173.2 | 124 | 64.1 | 0 | 0 | 111.7 | A408 S410 H415 L416 | A408-M412 WeakPolarHBondContact O-CB 3.42Å; A408-M412 PolarHBondContact O-N 2.94Å; S410-M412 PolarHBondContact O-N 3.42Å; M412-H415 PolarHBondContact O-N 3.17Å; M412-L416 WeakPolarHBondContact O-CB 3.42Å; M412-L416 PolarHBondContact O-N 3.5Å |
| 413 | N | 97.2 | Very high | 97.2 | Very high | 83 Ų | 83 | 102.7 Ų | 102.7 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 173.8 | -75.1 | -16.3 | 0 | 0 | 0 | 112 | K409 S410 L416 H417 | K409-N413 PolarHBondContact O-N 2.85Å; K409-N413 VanDerWaalsContact O-N 3.15Å; S410-N413 PolarHBondContact O-N 2.78Å; N413-L416 WeakPolarHBondContact O-CB 3.48Å; N413-L416 PolarHBondContact O-N 2.96Å; N413-H417 PolarHBondContact O-CD2 2.68Å; N413-H417 PolarHBondContact O-N 3.38Å |
| 414 | R | 98.1 | Very high | 97.3 | Very high | 91 Ų | 91 | 101.8 Ų | 101.8 | 34% | 0.343 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 174.2 | -177.2 | -175 | 53.7 | 59.6 | 8.1 | 111.2 | S410 D411 L416 H417 E418 | S410-R414 PolarHBondContact O-N 2.87Å; D411-R414 PolarHBondContact O-N 3.36Å; D411-R414 IonicContact OD1-CZ 3.91Å; D411-R414 IonicContact OD1-NE 3.1Å; D411-R414 PolarHBondContact OD1-NE 2.94Å; D411-R414 IonicContact OD1-NH2 3.53Å; D411-R414 PolarHBondContact OD1-NH2 3.26Å; R414-L416 VanDerWaalsContact C-N 3.32Å; R414-L416 PolarHBondContact O-N 2.94Å; R414-H417 PolarHBondContact O-N 3.01Å; R414-E418 IonicContact CZ-OE1 3.06Å; R414-E418 IonicContact NH1-OE1 3.98Å; R414-E418 PolarHBondContact NH1-OE1 2.99Å; R414-E418 IonicContact NH1-OE2 2.7Å; R414-E418 PolarHBondContact NH1-OE2 3.45Å; R414-E418 VanDerWaalsContact NH1-OE2 3.1Å; R414-E418 WeakPolarHBondContact O-CG 3.48Å; R414-E418 PolarHBondContact O-N 2.83Å |
| 415 | H | 97.9 | Very high | 97.3 | Very high | 106 Ų | 106 | 102.1 Ų | 102.1 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -32.1 | 176.8 | -76.8 | -49.8 | 0 | 0 | 0 | 113.6 | D411 M412 E418 Y419 | D411-H415 PolarHBondContact O-CD2 3.31Å; D411-H415 VanDerWaalsContact O-CD2 3.28Å; D411-H415 PolarHBondContact O-N 3.16Å; M412-H415 PolarHBondContact O-N 3.17Å; H415-E418 IonicContact CE1-OE2 3.64Å; H415-E418 IonicContact CG-OE2 3.82Å; H415-E418 IonicContact ND1-OE2 2.72Å; H415-E418 PolarHBondContact ND1-OE2 2.96Å; H415-Y419 WeakPolarHBondContact O-CB 3.37Å; H415-Y419 PolarHBondContact O-N 3Å |
| 416 | L | 97.8 | Very high | 97.5 | Very high | 97 Ų | 97 | 102.4 Ų | 102.4 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 172.9 | -178 | 61.5 | 0 | 0 | 0 | 111.6 | M412 N413 R414 Y419 M420 | M412-L416 WeakPolarHBondContact O-CB 3.42Å; M412-L416 PolarHBondContact O-N 3.5Å; N413-L416 WeakPolarHBondContact O-CB 3.48Å; N413-L416 PolarHBondContact O-N 2.96Å; R414-L416 VanDerWaalsContact C-N 3.32Å; R414-L416 PolarHBondContact O-N 2.94Å; L416-Y419 PolarHBondContact O-N 3.43Å; L416-M420 WeakPolarHBondContact O-CG 3.46Å; L416-M420 PolarHBondContact O-N 3.41Å |
| 417 | H | 98.1 | Very high | 97.6 | Very high | 121 Ų | 121 | 108.8 Ų | 108.8 | 56% | 0.56 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.1 | -46.4 | 174.2 | -72 | -58.7 | 0 | 0 | 0 | 112.4 | N413 R414 Y419 M420 E421 | N413-H417 PolarHBondContact O-CD2 2.68Å; N413-H417 PolarHBondContact O-N 3.38Å; R414-H417 PolarHBondContact O-N 3.01Å; H417-Y419 VanDerWaalsContact C-N 3.27Å; H417-Y419 PolarHBondContact O-N 3.37Å; H417-M420 WeakPolarHBondContact O-CB 3.34Å; H417-M420 PolarHBondContact O-N 2.9Å; H417-M420 VanDerWaalsContact O-N 3.09Å; H417-E421 PolarHBondContact O-N 3.48Å |
| 418 | E | 97.7 | Very high | 97.6 | Very high | 82 Ų | 82 | 106.7 Ų | 106.7 | 38% | 0.383 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.2 | -41.4 | 174.8 | -71 | 165.7 | -178.8 | 0 | 0 | 111.8 | R414 H415 E421 M422 | R414-E418 IonicContact CZ-OE1 3.06Å; R414-E418 IonicContact NH1-OE1 3.98Å; R414-E418 PolarHBondContact NH1-OE1 2.99Å; R414-E418 IonicContact NH1-OE2 2.7Å; R414-E418 PolarHBondContact NH1-OE2 3.45Å; R414-E418 VanDerWaalsContact NH1-OE2 3.1Å; R414-E418 WeakPolarHBondContact O-CG 3.48Å; R414-E418 PolarHBondContact O-N 2.83Å; H415-E418 IonicContact CE1-OE2 3.64Å; H415-E418 IonicContact CG-OE2 3.82Å; H415-E418 IonicContact ND1-OE2 2.72Å; H415-E418 PolarHBondContact ND1-OE2 2.96Å; E418-E421 PolarHBondContact O-N 2.87Å; E418-M422 WeakPolarHBondContact O-CB 3.49Å; E418-M422 VanDerWaalsContact O-CG 3.28Å; E418-M422 WeakPolarHBondContact O-CG 3.46Å; E418-M422 PolarHBondContact O-N 3.14Å |
| 419 | Y | 98.1 | Very high | 97.7 | Very high | 158 Ų | 158 | 108.2 Ų | 108.2 | 62% | 0.62 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.8 | -40.8 | 175.3 | 179.5 | -100.8 | 0 | 0 | 0 | 112.5 | H415 L416 H417 M422 C423 | H415-Y419 WeakPolarHBondContact O-CB 3.37Å; H415-Y419 PolarHBondContact O-N 3Å; L416-Y419 PolarHBondContact O-N 3.43Å; H417-Y419 VanDerWaalsContact C-N 3.27Å; H417-Y419 PolarHBondContact O-N 3.37Å; Y419-M422 PolarHBondContact O-N 3.05Å; Y419-C423 VanDerWaalsContact CZ-SG 3.53Å; Y419-C423 WeakPolarHBondContact O-CB 3.43Å; Y419-C423 PolarHBondContact O-N 3.06Å; Y419-C423 PolarHBondContact O-SG 3.36Å; Y419-C423 VanDerWaalsContact O-SG 3.38Å |
| 420 | M | 97.4 | Very high | 97.6 | Very high | 113 Ų | 113 | 104.6 Ų | 104.6 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | 175 | -73.1 | 174.2 | 65.1 | 0 | 0 | 112.3 | L416 H417 C423 S424 | L416-M420 WeakPolarHBondContact O-CG 3.46Å; L416-M420 PolarHBondContact O-N 3.41Å; H417-M420 WeakPolarHBondContact O-CB 3.34Å; H417-M420 PolarHBondContact O-N 2.9Å; H417-M420 VanDerWaalsContact O-N 3.09Å; M420-C423 PolarHBondContact O-N 2.99Å; M420-S424 WeakPolarHBondContact O-CB 3.42Å; M420-S424 PolarHBondContact O-N 3.18Å |
| 421 | E | 97.9 | Very high | 97.6 | Very high | 144 Ų | 144 | 105.2 Ų | 105.2 | 67% | 0.673 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.8 | -45.5 | 175 | -69.4 | -165.7 | 151.5 | 0 | 0 | 111.8 | H417 E418 C423 S424 M425 | H417-E421 PolarHBondContact O-N 3.48Å; E418-E421 PolarHBondContact O-N 2.87Å; E421-C423 VanDerWaalsContact C-N 3.34Å; E421-C423 PolarHBondContact O-N 3.39Å; E421-S424 WeakPolarHBondContact O-CB 3.45Å; E421-S424 PolarHBondContact O-N 2.75Å; E421-S424 VanDerWaalsContact O-N 3.17Å; E421-M425 WeakPolarHBondContact O-CB 3.24Å; E421-M425 PolarHBondContact O-N 3.29Å |
| 422 | M | 97.4 | Very high | 97.5 | Very high | 129 Ų | 129 | 107.6 Ų | 107.6 | 64% | 0.635 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.3 | -41.7 | 175 | -77 | -76.5 | -78 | 0 | 0 | 112.3 | E418 Y419 K426 | E418-M422 WeakPolarHBondContact O-CB 3.49Å; E418-M422 VanDerWaalsContact O-CG 3.28Å; E418-M422 WeakPolarHBondContact O-CG 3.46Å; E418-M422 PolarHBondContact O-N 3.14Å; Y419-M422 PolarHBondContact O-N 3.05Å; M422-K426 VanDerWaalsContact O-CB 3.3Å; M422-K426 WeakPolarHBondContact O-CB 3.49Å; M422-K426 PolarHBondContact O-N 2.9Å |
| 423 | C | 97.1 | Very high | 97.3 | Very high | 51 Ų | 51 | 105.2 Ų | 105.2 | 35% | 0.345 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 174.3 | -77.2 | 0 | 0 | 0 | 0 | 112.6 | Y419 M420 E421 R427 | Y419-C423 VanDerWaalsContact CZ-SG 3.53Å; Y419-C423 WeakPolarHBondContact O-CB 3.43Å; Y419-C423 PolarHBondContact O-N 3.06Å; Y419-C423 PolarHBondContact O-SG 3.36Å; Y419-C423 VanDerWaalsContact O-SG 3.38Å; M420-C423 PolarHBondContact O-N 2.99Å; E421-C423 VanDerWaalsContact C-N 3.34Å; E421-C423 PolarHBondContact O-N 3.39Å; C423-R427 WeakPolarHBondContact O-CB 3.37Å; C423-R427 PolarHBondContact O-N 3.5Å |
| 424 | S | 97.8 | Very high | 97.2 | Very high | 85 Ų | 85 | 105 Ų | 105 | 59% | 0.594 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -48.7 | 175.5 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | M420 E421 K426 R427 G428 | M420-S424 WeakPolarHBondContact O-CB 3.42Å; M420-S424 PolarHBondContact O-N 3.18Å; E421-S424 WeakPolarHBondContact O-CB 3.45Å; E421-S424 PolarHBondContact O-N 2.75Å; E421-S424 VanDerWaalsContact O-N 3.17Å; S424-K426 PolarHBondContact O-N 3Å; S424-R427 PolarHBondContact O-N 2.96Å; S424-R427 VanDerWaalsContact O-N 3.15Å; S424-G428 PolarHBondContact O-N 2.85Å |
| 425 | M | 97.5 | Very high | 96.9 | Very high | 124 Ų | 124 | 103.5 Ų | 103.5 | 61% | 0.611 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -44.8 | 177.5 | -169.8 | -175 | -60 | 0 | 0 | 111.7 | E421 R427 G428 L429 | E421-M425 WeakPolarHBondContact O-CB 3.24Å; E421-M425 PolarHBondContact O-N 3.29Å; M425-R427 VanDerWaalsContact C-N 3.34Å; M425-R427 PolarHBondContact O-N 3.29Å; M425-G428 PolarHBondContact O-N 3.1Å; M425-G428 VanDerWaalsContact O-N 3.16Å; M425-L429 WeakPolarHBondContact O-CG 3.49Å; M425-L429 PolarHBondContact O-N 3.14Å |
| 426 | K | 97.7 | Very high | 96.7 | Very high | 133 Ų | 133 | 101.7 Ų | 101.7 | 58% | 0.578 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -55.7 | -47.7 | 172.9 | -179.4 | -169.3 | 170.5 | -171.7 | 0 | 111.3 | M422 S424 G428 L429 D430 | M422-K426 VanDerWaalsContact O-CB 3.3Å; M422-K426 WeakPolarHBondContact O-CB 3.49Å; M422-K426 PolarHBondContact O-N 2.9Å; S424-K426 PolarHBondContact O-N 3Å; K426-G428 VanDerWaalsContact C-N 3.26Å; K426-G428 PolarHBondContact O-N 3.28Å; K426-L429 PolarHBondContact O-N 2.7Å; K426-L429 VanDerWaalsContact O-N 3.09Å; K426-D430 PolarHBondContact O-N 2.87Å |
| 427 | R | 97.5 | Very high | 96.5 | Very high | 193 Ų | 193 | 103.8 Ų | 103.8 | 73% | 0.728 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -35.1 | 179.4 | -155.3 | 178.2 | 93.6 | 105.4 | -2.8 | 111.9 | C423 S424 M425 V431 | C423-R427 WeakPolarHBondContact O-CB 3.37Å; C423-R427 PolarHBondContact O-N 3.5Å; S424-R427 PolarHBondContact O-N 2.96Å; S424-R427 VanDerWaalsContact O-N 3.15Å; M425-R427 VanDerWaalsContact C-N 3.34Å; M425-R427 PolarHBondContact O-N 3.29Å; R427-V431 WeakPolarHBondContact O-CG2 3.23Å; R427-V431 PolarHBondContact O-N 2.89Å |
| 428 | G | 97.4 | Very high | 96.1 | Very high | 34 Ų | 34 | 105.4 Ų | 105.4 | 35% | 0.351 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113 | S424 M425 K426 V431 Q432 | S424-G428 PolarHBondContact O-N 2.85Å; M425-G428 PolarHBondContact O-N 3.1Å; M425-G428 VanDerWaalsContact O-N 3.16Å; K426-G428 VanDerWaalsContact C-N 3.26Å; K426-G428 PolarHBondContact O-N 3.28Å; G428-V431 PolarHBondContact O-N 3.04Å; G428-Q432 WeakPolarHBondContact O-CG 3.45Å; G428-Q432 PolarHBondContact O-N 2.77Å |
| 429 | L | 97.3 | Very high | 95.6 | Very high | 91 Ų | 91 | 108.1 Ų | 108.1 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 176.7 | -68.7 | 172.4 | 0 | 0 | 0 | 112.6 | M425 K426 Q432 M433 | M425-L429 WeakPolarHBondContact O-CG 3.49Å; M425-L429 PolarHBondContact O-N 3.14Å; K426-L429 PolarHBondContact O-N 2.7Å; K426-L429 VanDerWaalsContact O-N 3.09Å; L429-Q432 PolarHBondContact O-N 3.35Å; L429-M433 WeakPolarHBondContact O-CB 3.22Å; L429-M433 WeakPolarHBondContact O-CG 3.36Å; L429-M433 PolarHBondContact O-N 3.09Å |
| 430 | D | 96.3 | Very high | 95 | Very high | 71 Ų | 71 | 107 Ų | 107 | 38% | 0.38 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 175.3 | -76.5 | -37.7 | 0 | 0 | 0 | 111.4 | K426 M433 E434 | K426-D430 PolarHBondContact O-N 2.87Å; D430-M433 PolarHBondContact O-N 3.44Å; D430-M433 VanDerWaalsContact OD1-CE 3.28Å; D430-M433 WeakPolarHBondContact OD1-CE 3.28Å; D430-E434 WeakPolarHBondContact O-CB 3.47Å; D430-E434 PolarHBondContact O-N 2.93Å |
| 431 | V | 96.8 | Very high | 94 | Very high | 89 Ų | 89 | 110.2 Ų | 110.2 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 173.6 | 170.2 | 0 | 0 | 0 | 0 | 111.9 | R427 G428 T435 | R427-V431 WeakPolarHBondContact O-CG2 3.23Å; R427-V431 PolarHBondContact O-N 2.89Å; G428-V431 PolarHBondContact O-N 3.04Å; V431-T435 WeakPolarHBondContact O-CB 3.46Å; V431-T435 PolarHBondContact O-N 3.36Å; V431-T435 PolarHBondContact O-OG1 3.04Å |
| 432 | Q | 96.4 | Very high | 92.1 | Very high | 123 Ų | 123 | 105.2 Ų | 105.2 | 58% | 0.575 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.7 | -46.6 | 174.7 | -72.8 | 179.2 | 3.3 | 0 | 0 | 111.5 | G428 L429 E434 T435 C436 | G428-Q432 WeakPolarHBondContact O-CG 3.45Å; G428-Q432 PolarHBondContact O-N 2.77Å; L429-Q432 PolarHBondContact O-N 3.35Å; Q432-E434 VanDerWaalsContact C-N 3.35Å; Q432-E434 PolarHBondContact O-N 2.88Å; Q432-T435 WeakPolarHBondContact O-CB 3.47Å; Q432-T435 PolarHBondContact O-N 3.46Å; Q432-T435 VanDerWaalsContact O-N 3.16Å; Q432-C436 PolarHBondContact O-N 3.32Å; Q432-C436 PolarHBondContact O-SG 2.89Å |
| 433 | M | 94.6 | Very high | 90 | Very high | 91 Ų | 91 | 102.3 Ų | 102.3 | 45% | 0.448 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 176.1 | -80.6 | -159.7 | -68.9 | 0 | 0 | 112.1 | L429 D430 T435 C436 R437 | L429-M433 WeakPolarHBondContact O-CB 3.22Å; L429-M433 WeakPolarHBondContact O-CG 3.36Å; L429-M433 PolarHBondContact O-N 3.09Å; D430-M433 PolarHBondContact O-N 3.44Å; D430-M433 VanDerWaalsContact OD1-CE 3.28Å; D430-M433 WeakPolarHBondContact OD1-CE 3.28Å; M433-T435 VanDerWaalsContact C-N 3.31Å; M433-T435 PolarHBondContact O-N 3.05Å; M433-C436 PolarHBondContact O-N 2.8Å; M433-R437 WeakPolarHBondContact O-CB 3.24Å; M433-R437 VanDerWaalsContact O-CG 3.28Å; M433-R437 WeakPolarHBondContact O-CG 3.35Å; M433-R437 PolarHBondContact O-N 2.92Å |
| 434 | E | 93.9 | Very high | 87.8 | Confident | 80 Ų | 80 | 110.6 Ų | 110.6 | 37% | 0.374 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69 | -31.1 | 178.5 | -169.1 | 51.8 | -142.3 | 0 | 0 | 112.3 | D430 Q432 R437 R438 | D430-E434 WeakPolarHBondContact O-CB 3.47Å; D430-E434 PolarHBondContact O-N 2.93Å; Q432-E434 VanDerWaalsContact C-N 3.35Å; Q432-E434 PolarHBondContact O-N 2.88Å; E434-R437 WeakPolarHBondContact OE2-CD 3.35Å; E434-R437 IonicContact OE2-CZ 2.58Å; E434-R437 IonicContact OE2-NE 3.43Å; E434-R437 IonicContact OE2-NH1 3.8Å; E434-R437 PolarHBondContact OE2-NH1 2.95Å; E434-R438 WeakPolarHBondContact O-CB 3.49Å; E434-R438 PolarHBondContact O-N 3.46Å |
| 435 | T | 92.2 | Very high | 85.3 | Confident | 59 Ų | 59 | 112.9 Ų | 112.9 | 36% | 0.362 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.6 | -46.6 | 170.8 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | V431 Q432 M433 R437 R438 M439 | V431-T435 WeakPolarHBondContact O-CB 3.46Å; V431-T435 PolarHBondContact O-N 3.36Å; V431-T435 PolarHBondContact O-OG1 3.04Å; Q432-T435 WeakPolarHBondContact O-CB 3.47Å; Q432-T435 PolarHBondContact O-N 3.46Å; Q432-T435 VanDerWaalsContact O-N 3.16Å; M433-T435 VanDerWaalsContact C-N 3.31Å; M433-T435 PolarHBondContact O-N 3.05Å; T435-R437 PolarHBondContact O-N 3.24Å; T435-R438 WeakPolarHBondContact O-CB 3.49Å; T435-R438 PolarHBondContact O-N 3.36Å; T435-R438 VanDerWaalsContact O-N 3.17Å; T435-M439 WeakPolarHBondContact O-CG 2.97Å; T435-M439 PolarHBondContact O-N 3.35Å |
| 436 | C | 93.6 | Very high | 82.7 | Confident | 68 Ų | 68 | 112.5 Ų | 112.5 | 46% | 0.459 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -61.6 | -43.8 | 175.4 | -67.1 | 0 | 0 | 0 | 0 | 112.1 | Q432 M433 R438 M439 I440 | Q432-C436 PolarHBondContact O-N 3.32Å; Q432-C436 PolarHBondContact O-SG 2.89Å; M433-C436 PolarHBondContact O-N 2.8Å; C436-R438 VanDerWaalsContact C-N 3.32Å; C436-R438 PolarHBondContact O-N 3.04Å; C436-M439 PolarHBondContact O-N 2.96Å; C436-I440 VanDerWaalsContact O-CG1 3.31Å; C436-I440 WeakPolarHBondContact O-CG1 3.39Å; C436-I440 PolarHBondContact O-N 3.29Å |
| 437 | R | 93.9 | Very high | 80.5 | Confident | 140 Ų | 140 | 111.6 Ų | 111.6 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -56.6 | -45.2 | 172.1 | -74.6 | 168.8 | -176.2 | 166 | 3.4 | 111.2 | M433 E434 T435 I440 K441 | M433-R437 WeakPolarHBondContact O-CB 3.24Å; M433-R437 VanDerWaalsContact O-CG 3.28Å; M433-R437 WeakPolarHBondContact O-CG 3.35Å; M433-R437 PolarHBondContact O-N 2.92Å; E434-R437 WeakPolarHBondContact OE2-CD 3.35Å; E434-R437 IonicContact OE2-CZ 2.58Å; E434-R437 IonicContact OE2-NE 3.43Å; E434-R437 IonicContact OE2-NH1 3.8Å; E434-R437 PolarHBondContact OE2-NH1 2.95Å; T435-R437 PolarHBondContact O-N 3.24Å; R437-I440 PolarHBondContact O-N 2.72Å; R437-K441 WeakPolarHBondContact O-CB 3.31Å; R437-K441 PolarHBondContact O-N 2.97Å |
| 438 | R | 89.8 | Confident | 77.6 | Confident | 156 Ų | 156 | 108 Ų | 108 | 59% | 0.589 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.5 | -40.1 | 178.6 | -165.2 | 177.3 | -56.8 | 139 | 11.3 | 112.2 | E434 T435 C436 K441 G442 | E434-R438 WeakPolarHBondContact O-CB 3.49Å; E434-R438 PolarHBondContact O-N 3.46Å; T435-R438 WeakPolarHBondContact O-CB 3.49Å; T435-R438 PolarHBondContact O-N 3.36Å; T435-R438 VanDerWaalsContact O-N 3.17Å; C436-R438 VanDerWaalsContact C-N 3.32Å; C436-R438 PolarHBondContact O-N 3.04Å; R438-K441 PolarHBondContact O-N 2.78Å; R438-G442 PolarHBondContact O-N 2.75Å |
| 439 | M | 87.1 | Confident | 75.2 | Confident | 138 Ų | 138 | 115.5 Ų | 115.5 | 68% | 0.68 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.9 | -47.4 | 173.7 | -69.7 | 175.6 | 67.6 | 0 | 0 | 112 | T435 C436 K441 G442 G443 | T435-M439 WeakPolarHBondContact O-CG 2.97Å; T435-M439 PolarHBondContact O-N 3.35Å; C436-M439 PolarHBondContact O-N 2.96Å; M439-K441 VanDerWaalsContact C-N 3.31Å; M439-K441 PolarHBondContact O-N 2.92Å; M439-G442 PolarHBondContact O-N 2.72Å; M439-G443 PolarHBondContact O-N 3.14Å |
| 440 | I | 85.9 | Confident | 72.2 | Confident | 135 Ų | 135 | 116.6 Ų | 116.6 | 69% | 0.692 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.7 | -40.3 | 177.7 | -67.9 | 163.3 | 0 | 0 | 0 | 111.1 | C436 R437 | C436-I440 VanDerWaalsContact O-CG1 3.31Å; C436-I440 WeakPolarHBondContact O-CG1 3.39Å; C436-I440 PolarHBondContact O-N 3.29Å; R437-I440 PolarHBondContact O-N 2.72Å |
| 441 | K | 75 | Confident | 70 | Confident | 180 Ų | 180 | 118.6 Ų | 118.6 | 78% | 0.783 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75.9 | -30.5 | -179.5 | -156.4 | 165.3 | -176.7 | 175.7 | 0 | 112.5 | R437 R438 M439 | R437-K441 WeakPolarHBondContact O-CB 3.31Å; R437-K441 PolarHBondContact O-N 2.97Å; R438-K441 PolarHBondContact O-N 2.78Å; M439-K441 VanDerWaalsContact C-N 3.31Å; M439-K441 PolarHBondContact O-N 2.92Å |
| 442 | G | 58.8 | Low | 67.3 | Low | 39 Ų | 39 | 121.4 Ų | 121.4 | 40% | 0.402 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -77.4 | -25.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R438 M439 R444 N445 | R438-G442 PolarHBondContact O-N 2.75Å; M439-G442 PolarHBondContact O-N 2.72Å; G442-R444 PolarHBondContact O-N 3.47Å; G442-N445 PolarHBondContact O-N 3.05Å |
| 443 | G | 53.8 | Low | 64.9 | Low | 69 Ų | 69 | 119.6 Ų | 119.6 | 71% | 0.711 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 5.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | M439 | M439-G443 PolarHBondContact O-N 3.14Š|
| 444 | R | 49.9 | Very low | 62.2 | Low | 225 Ų | 225 | 121.3 Ų | 121.3 | 85% | 0.849 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -3.8 | 172.5 | -60.6 | -171.8 | 68.7 | -168.6 | -0.1 | 113.8 | G442 | G442-R444 PolarHBondContact O-N 3.47Š|
| 445 | N | 46.4 | Very low | 59.8 | Low | 133 Ų | 133 | 123.2 Ų | 123.2 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -136.4 | 102.1 | -175.7 | -71.4 | 79.9 | 0 | 0 | 0 | 110.4 | G442 | G442-N445 PolarHBondContact O-N 3.05Š|
| 446 | S | 42.8 | Very low | 57.1 | Low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 148 | 175.7 | -56.9 | 0 | 0 | 0 | 0 | 112 | ||
| 447 | P | 51.9 | Low | 54.7 | Low | 113 Ų | 113 | 130.1 Ų | 130.1 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 128.9 | -168.3 | 29.5 | -35.3 | 0 | 0 | 0 | 113 | ||
| 448 | S | 36.7 | Very low | 52 | Low | 117 Ų | 117 | 127.1 Ų | 127.1 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 116.7 | 156.7 | -66.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 449 | F | 45.6 | Very low | 49.5 | Very low | 192 Ų | 192 | 126.7 Ų | 126.7 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 125.7 | 173.2 | -81.2 | -100.8 | 0 | 0 | 0 | 110.4 | ||
| 450 | S | 35.2 | Very low | 47.4 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -144.2 | 86.6 | 161.4 | 63 | 0 | 0 | 0 | 0 | 110 | ||||
| 451 | S | 50.3 | Low | 45.1 | Very low | 113 Ų | 113 | 127.5 Ų | 127.5 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -73.8 | 121.1 | 173.1 | -45.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 452 | V | 40.3 | Very low | 43.7 | Very low | 147 Ų | 147 | 127 Ų | 127 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | -158.7 | 149.8 | 151.6 | 68.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 453 | A | 45.4 | Very low | 42.8 | Very low | 85 Ų | 85 | 133.6 Ų | 133.6 | 70% | 0.702 | 81% | 0.808 | S | S | * | * | trans | -91.3 | 157 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 454 | S | 36.6 | Very low | 42.2 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 90% | 0.895 | 81% | 0.811 | S | S | * | * | trans | -151.5 | 143.3 | 141.8 | -76.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 455 | S | 45.6 | Very low | 42 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -103.8 | 129.2 | 175.5 | -54.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 456 | D | 34.2 | Very low | 42 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -173.7 | 150.3 | 155.5 | -121.9 | -2.2 | 0 | 0 | 0 | 107.9 | ||||
| 457 | S | 42.8 | Very low | 41.8 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | cis | -144.2 | 161.2 | -12.5 | 52.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 458 | G | 37.3 | Very low | 41.1 | Very low | 77 Ų | 77 | 137.2 Ų | 137.2 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -77.4 | 160.2 | -168.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 459 | N | 37.8 | Very low | 41.5 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -165.1 | 91.4 | 134.6 | -172 | 85.2 | 0 | 0 | 0 | 110.4 | ||||
| 460 | T | 43.3 | Very low | 41.2 | Very low | 146 Ų | 146 | 139 Ų | 139 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | trans | -137.4 | 80.1 | 165.5 | 52.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 461 | D | 37.3 | Very low | 41.4 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | trans | -107.4 | 155.2 | 169.8 | -135.3 | -42.7 | 0 | 0 | 0 | 108.7 | ||||
| 462 | E | 45 | Very low | 40.8 | Very low | 171 Ų | 171 | 140 Ų | 140 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -83.4 | 137.6 | -155.7 | -61.3 | 178.4 | 112.4 | 0 | 0 | 113.2 | ||||
| 463 | I | 41.1 | Very low | 40.6 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | trans | -110.1 | 95.4 | 156.8 | -61.7 | -179.1 | 0 | 0 | 0 | 106.2 | ||||
| 464 | Q | 40 | Very low | 40.3 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -77.8 | 157.9 | 175.9 | -171.4 | 170.3 | 7.2 | 0 | 0 | 110.6 | E466 | Q464-E466 PolarHBondContact O-N 3.32Š| ||
| 465 | D | 47.2 | Very low | 40.7 | Very low | 158 Ų | 158 | 145.1 Ų | 145.1 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -58.9 | 129.8 | 178.4 | -55.8 | -81.7 | 0 | 0 | 0 | 112.9 | ||||
| 466 | E | 46.5 | Very low | 40.6 | Very low | 164 Ų | 164 | 145 Ų | 145 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -163.8 | 98.7 | 162.4 | -108.1 | -74.6 | 153.8 | 0 | 0 | 109.4 | Q464 | Q464-E466 PolarHBondContact O-N 3.32Š| ||
| 467 | I | 37.3 | Very low | 41.5 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -174.4 | 87.2 | 151.3 | -92.9 | 150.1 | 0 | 0 | 0 | 103.2 | ||||
| 468 | S | 37 | Very low | 41.5 | Very low | 84 Ų | 84 | 145.6 Ų | 145.6 | 59% | 0.587 | 80% | 0.803 | S | S | * | * | 68 | 82.1 | 82.4 | -71.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 469 | D | 45.8 | Very low | 42.1 | Very low | 161 Ų | 161 | 151.4 Ų | 151.4 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | trans | -52.1 | 139.7 | 144.3 | -67.9 | -61.9 | 0 | 0 | 0 | 109.1 | ||||
| 470 | K | 38.8 | Very low | 42.3 | Very low | 186 Ų | 186 | 151.6 Ų | 151.6 | 81% | 0.809 | 83% | 0.834 | S | S | * | * | trans | -154.1 | 63.2 | 170.4 | -148.7 | 169.4 | -170.8 | 173.2 | 0 | 114.1 | ||||
| 471 | D | 39.3 | Very low | 42.3 | Very low | 162 Ų | 162 | 151.8 Ų | 151.8 | 87% | 0.866 | 83% | 0.83 | S | S | * | * | trans | -56.1 | 144.7 | 146.8 | -71.8 | -52.3 | 0 | 0 | 0 | 109.6 | ||||
| 472 | A | 37.6 | Very low | 42.6 | Very low | 88 Ų | 88 | 152.3 Ų | 152.3 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | trans | -144.2 | 78.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 473 | E | 36.7 | Very low | 42.4 | Very low | 193 Ų | 193 | 151.2 Ų | 151.2 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -60 | 146.3 | 161.4 | -69.2 | -165.9 | 123.5 | 0 | 0 | 110.3 | ||||
| 474 | A | 40.2 | Very low | 42.5 | Very low | 94 Ų | 94 | 149.7 Ų | 149.7 | 78% | 0.777 | 83% | 0.832 | S | S | * | * | trans | -117 | 73.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 475 | E | 44.8 | Very low | 42.7 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 84% | 0.841 | 84% | 0.836 | S | S | * | * | trans | -67.5 | 138.6 | 166.6 | -96.8 | -90.4 | 104.9 | 0 | 0 | 110.8 | ||||
| 476 | V | 42 | Very low | 42.3 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 70% | 0.697 | 84% | 0.836 | S | S | * | * | trans | -105.3 | 120.8 | -175.6 | 176.7 | 0 | 0 | 0 | 0 | 110.3 | L478 | V476-L478 PolarHBondContact O-N 3.28Š| ||
| 477 | P | 53.6 | Low | 42 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 79% | 0.786 | 84% | 0.841 | S | S | * | * | trans | -76 | 123.5 | 176.5 | 30 | -33 | 0 | 0 | 0 | 111.4 | ||||
| 478 | L | 43.4 | Very low | 42.4 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | trans | -74.4 | 145.7 | 172.3 | -70.2 | 167.9 | 0 | 0 | 0 | 112.2 | V476 | V476-L478 PolarHBondContact O-N 3.28Š| ||
| 479 | S | 49.8 | Very low | 42.9 | Very low | 198 Ų | 198 | 151.2 Ų | 151.2 | 100% | 1.385 | 87% | 0.865 | S | S | * | * | trans | -158.5 | 0 | 160.9 | -72.6 | 0 | 0 | 0 | 0 | 110.1 |
Retrieved 479 of 479 residues in 314 ms
(Link to these results)