| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.7 | Very low | 62.5 | Low | 241 Ų | 241 | 95.4 Ų | 95.4 | 100% | 1.187 | 67% | 0.673 | S | S | * | * | 0 | 136 | 0 | -76.1 | 171.5 | 157.5 | 0 | 0 | 107.2 | |||||
| 2 | V | 52.9 | Low | 63.6 | Low | 158 Ų | 158 | 99.5 Ų | 99.5 | 96% | 0.958 | 68% | 0.676 | S | S | * | * | trans | 81.1 | 108.7 | -176.1 | -166.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 3 | G | 54.3 | Low | 64.9 | Low | 72 Ų | 72 | 98.2 Ų | 98.2 | 74% | 0.742 | 67% | 0.669 | S | S | * | * | trans | 172.7 | -3.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 4 | G | 59.7 | Low | 66.2 | Low | 57 Ų | 57 | 101.6 Ų | 101.6 | 59% | 0.588 | 67% | 0.666 | S | S | * | * | trans | -111.1 | 7.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 5 | S | 60.2 | Low | 67.2 | Low | 100 Ų | 100 | 103.6 Ų | 103.6 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -98.7 | -14 | -168.8 | -51 | 0 | 0 | 0 | 0 | 115.2 | S8 | S5-S8 PolarHBondContact O-OG 3.16Å; S5-S8 VanDerWaalsContact O-OG 3.14Å |
| 6 | S | 61.7 | Low | 68.1 | Low | 95 Ų | 95 | 105.5 Ų | 105.5 | 66% | 0.664 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -85.4 | -27 | -176.8 | 37.1 | 0 | 0 | 0 | 0 | 113.5 | A10 | S6-A10 PolarHBondContact O-N 3.43Å |
| 7 | S | 65.8 | Low | 69 | Low | 89 Ų | 89 | 108.9 Ų | 108.9 | 62% | 0.622 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.4 | -33 | 178.9 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | G11 | S7-G11 PolarHBondContact O-N 3.24Å; S7-G11 VanDerWaalsContact O-N 3.16Å |
| 8 | S | 69 | Low | 69.9 | Low | 77 Ų | 77 | 108.2 Ų | 108.2 | 54% | 0.538 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -71.1 | -39.6 | 178.7 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | S5 G11 M12 | S5-S8 PolarHBondContact O-OG 3.16Å; S5-S8 VanDerWaalsContact O-OG 3.14Å; S8-G11 PolarHBondContact O-N 3.14Å; S8-M12 PolarHBondContact O-N 3.44Å |
| 9 | A | 71.2 | Confident | 70.7 | Confident | 57 Ų | 57 | 108.5 Ų | 108.5 | 47% | 0.471 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -65.8 | -44.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G11 M12 S13 | A9-G11 VanDerWaalsContact C-N 3.33Å; A9-G11 PolarHBondContact O-N 3.01Å; A9-M12 PolarHBondContact O-N 3.42Å; A9-S13 PolarHBondContact O-N 3.08Å; A9-S13 PolarHBondContact O-OG 3.36Å |
| 10 | A | 73.2 | Confident | 71.4 | Confident | 63 Ų | 63 | 105.5 Ų | 105.5 | 52% | 0.521 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.2 | -37.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S6 K14 | S6-A10 PolarHBondContact O-N 3.43Å; A10-K14 WeakPolarHBondContact O-CB 3.43Å; A10-K14 PolarHBondContact O-N 3.05Å; A10-K14 VanDerWaalsContact O-N 3.08Å |
| 11 | G | 75.8 | Confident | 72.1 | Confident | 40 Ų | 40 | 103.3 Ų | 103.3 | 41% | 0.412 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.2 | -41.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S7 S8 A9 K14 Q15 | S7-G11 PolarHBondContact O-N 3.24Å; S7-G11 VanDerWaalsContact O-N 3.16Å; S8-G11 PolarHBondContact O-N 3.14Å; A9-G11 VanDerWaalsContact C-N 3.33Å; A9-G11 PolarHBondContact O-N 3.01Å; G11-K14 PolarHBondContact O-N 2.96Å; G11-Q15 WeakPolarHBondContact O-CB 3.48Å; G11-Q15 PolarHBondContact O-N 3.49Å |
| 12 | M | 76.2 | Confident | 74.3 | Confident | 145 Ų | 145 | 96.4 Ų | 96.4 | 71% | 0.714 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.4 | -42.7 | 178.6 | -168.4 | 169.6 | -169.8 | 0 | 0 | 112.3 | S8 A9 Q15 H16 | S8-M12 PolarHBondContact O-N 3.44Å; A9-M12 PolarHBondContact O-N 3.42Å; M12-Q15 PolarHBondContact O-N 2.93Å; M12-H16 WeakPolarHBondContact O-CB 3.35Å; M12-H16 PolarHBondContact O-N 3.16Å |
| 13 | S | 80.4 | Confident | 76.1 | Confident | 82 Ų | 82 | 93.7 Ų | 93.7 | 57% | 0.573 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.4 | -40.3 | 175.4 | -52.3 | 0 | 0 | 0 | 0 | 112.3 | A9 H16 Y17 | A9-S13 PolarHBondContact O-N 3.08Å; A9-S13 PolarHBondContact O-OG 3.36Å; S13-H16 PolarHBondContact O-N 3.38Å; S13-Y17 WeakPolarHBondContact O-CB 3.41Å; S13-Y17 PolarHBondContact O-N 2.9Å |
| 14 | K | 82.4 | Confident | 77.8 | Confident | 146 Ų | 146 | 95.8 Ų | 95.8 | 64% | 0.635 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.9 | -42.4 | 176.2 | -173 | 177 | -179.6 | -177.9 | 0 | 111.5 | A10 G11 Y17 L18 | A10-K14 WeakPolarHBondContact O-CB 3.43Å; A10-K14 PolarHBondContact O-N 3.05Å; A10-K14 VanDerWaalsContact O-N 3.08Å; G11-K14 PolarHBondContact O-N 2.96Å; K14-Y17 PolarHBondContact O-N 3.4Å; K14-L18 HydrophobicContact CG-CD1 4.09Å; K14-L18 WeakPolarHBondContact O-CB 3.48Å; K14-L18 VanDerWaalsContact O-CG 3.27Å; K14-L18 WeakPolarHBondContact O-CG 3.27Å; K14-L18 PolarHBondContact O-N 2.97Å |
| 15 | Q | 81.9 | Confident | 79.1 | Confident | 132 Ų | 132 | 97.9 Ų | 97.9 | 62% | 0.617 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.6 | -44.3 | 177 | -168.1 | 171.3 | -85.3 | 0 | 0 | 111.2 | G11 M12 Y17 L18 E19 | G11-Q15 WeakPolarHBondContact O-CB 3.48Å; G11-Q15 PolarHBondContact O-N 3.49Å; M12-Q15 PolarHBondContact O-N 2.93Å; Q15-Y17 VanDerWaalsContact C-N 3.35Å; Q15-Y17 PolarHBondContact O-N 2.94Å; Q15-L18 PolarHBondContact O-N 3.28Å; Q15-E19 VanDerWaalsContact O-CB 3.28Å; Q15-E19 WeakPolarHBondContact O-CB 3.39Å; Q15-E19 PolarHBondContact O-N 3.5Å |
| 16 | H | 81.7 | Confident | 80.6 | Confident | 134 Ų | 134 | 95.7 Ų | 95.7 | 62% | 0.62 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -38.8 | 175.8 | -174.9 | -80.4 | 0 | 0 | 0 | 112.7 | M12 S13 E19 S20 | M12-H16 WeakPolarHBondContact O-CB 3.35Å; M12-H16 PolarHBondContact O-N 3.16Å; S13-H16 PolarHBondContact O-N 3.38Å; H16-E19 PolarHBondContact O-N 2.92Å; H16-S20 WeakPolarHBondContact O-CB 3.38Å; H16-S20 PolarHBondContact O-N 3.49Å |
| 17 | Y | 82.6 | Confident | 82 | Confident | 163 Ų | 163 | 96.2 Ų | 96.2 | 64% | 0.639 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.4 | -44.6 | 175.1 | -173.8 | -88 | 0 | 0 | 0 | 111.8 | S13 K14 Q15 E19 S20 D21 | S13-Y17 WeakPolarHBondContact O-CB 3.41Å; S13-Y17 PolarHBondContact O-N 2.9Å; K14-Y17 PolarHBondContact O-N 3.4Å; Q15-Y17 VanDerWaalsContact C-N 3.35Å; Q15-Y17 PolarHBondContact O-N 2.94Å; Y17-E19 VanDerWaalsContact C-N 3.33Å; Y17-E19 PolarHBondContact O-N 3.4Å; Y17-S20 PolarHBondContact O-N 2.99Å; Y17-D21 WeakPolarHBondContact O-CB 3.34Å; Y17-D21 PolarHBondContact O-N 2.83Å |
| 18 | L | 85.2 | Confident | 83.2 | Confident | 96 Ų | 96 | 96.4 Ų | 96.4 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 177 | -69.6 | 170.6 | 0 | 0 | 0 | 112.3 | K14 Q15 N22 | K14-L18 HydrophobicContact CG-CD1 4.09Å; K14-L18 WeakPolarHBondContact O-CB 3.48Å; K14-L18 VanDerWaalsContact O-CG 3.27Å; K14-L18 WeakPolarHBondContact O-CG 3.27Å; K14-L18 PolarHBondContact O-N 2.97Å; Q15-L18 PolarHBondContact O-N 3.28Å; L18-N22 WeakPolarHBondContact O-CB 3.31Å; L18-N22 PolarHBondContact O-N 3.42Å |
| 19 | E | 84.6 | Confident | 84.3 | Confident | 114 Ų | 114 | 97.8 Ų | 97.8 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.2 | -46.3 | 175.5 | -168.9 | 172.5 | 131.8 | 0 | 0 | 110.9 | Q15 H16 Y17 D21 N22 D23 | Q15-E19 VanDerWaalsContact O-CB 3.28Å; Q15-E19 WeakPolarHBondContact O-CB 3.39Å; Q15-E19 PolarHBondContact O-N 3.5Å; H16-E19 PolarHBondContact O-N 2.92Å; Y17-E19 VanDerWaalsContact C-N 3.33Å; Y17-E19 PolarHBondContact O-N 3.4Å; E19-D21 VanDerWaalsContact C-N 3.32Å; E19-D21 PolarHBondContact O-N 3.44Å; E19-N22 PolarHBondContact O-N 3.13Å; E19-D23 WeakPolarHBondContact O-CB 3.38Å; E19-D23 PolarHBondContact O-N 3.31Å |
| 20 | S | 86.4 | Confident | 85.3 | Confident | 49 Ų | 49 | 101.3 Ų | 101.3 | 34% | 0.343 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 175 | 179.9 | 0 | 0 | 0 | 0 | 113 | H16 Y17 Q24 | H16-S20 WeakPolarHBondContact O-CB 3.38Å; H16-S20 PolarHBondContact O-N 3.49Å; Y17-S20 PolarHBondContact O-N 2.99Å; S20-Q24 WeakPolarHBondContact O-CG 3.5Å; S20-Q24 PolarHBondContact O-N 2.97Å; S20-Q24 VanDerWaalsContact O-N 3.13Å |
| 21 | D | 85.8 | Confident | 86.3 | Confident | 60 Ų | 60 | 104.4 Ų | 104.4 | 32% | 0.321 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.4 | -42.2 | 177.4 | -168.5 | 42.6 | 0 | 0 | 0 | 110.7 | Y17 E19 Q24 M25 | Y17-D21 WeakPolarHBondContact O-CB 3.34Å; Y17-D21 PolarHBondContact O-N 2.83Å; E19-D21 VanDerWaalsContact C-N 3.32Å; E19-D21 PolarHBondContact O-N 3.44Å; D21-Q24 PolarHBondContact O-N 3.14Å; D21-M25 WeakPolarHBondContact O-CG 3.46Å; D21-M25 PolarHBondContact O-N 3.28Å; D21-M25 VanDerWaalsContact OD2-CE 3.31Å; D21-M25 WeakPolarHBondContact OD2-CE 3.45Å |
| 22 | N | 89.1 | Confident | 87.1 | Confident | 95 Ų | 95 | 108.7 Ų | 108.7 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 174.7 | -165.4 | 3.9 | 0 | 0 | 0 | 111.9 | L18 E19 Q24 M25 V26 | L18-N22 WeakPolarHBondContact O-CB 3.31Å; L18-N22 PolarHBondContact O-N 3.42Å; E19-N22 PolarHBondContact O-N 3.13Å; N22-Q24 VanDerWaalsContact C-N 3.31Å; N22-Q24 PolarHBondContact O-N 2.87Å; N22-M25 PolarHBondContact O-N 2.81Å; N22-M25 VanDerWaalsContact O-N 3.14Å; N22-V26 WeakPolarHBondContact O-CB 3.28Å; N22-V26 VanDerWaalsContact O-CG2 3.29Å; N22-V26 WeakPolarHBondContact O-CG2 3.38Å; N22-V26 PolarHBondContact O-N 3.39Å |
| 23 | D | 90.6 | Very high | 88 | Confident | 102 Ų | 102 | 106.1 Ų | 106.1 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 176.1 | -83.4 | -8.7 | 0 | 0 | 0 | 112.1 | E19 V26 D27 | E19-D23 WeakPolarHBondContact O-CB 3.38Å; E19-D23 PolarHBondContact O-N 3.31Å; D23-V26 PolarHBondContact O-N 2.99Å; D23-D27 WeakPolarHBondContact O-CB 3.31Å; D23-D27 PolarHBondContact O-N 3.43Å |
| 24 | Q | 90.1 | Very high | 88.5 | Confident | 115 Ų | 115 | 106.7 Ų | 106.7 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 173.8 | -74.1 | -178 | 20.1 | 0 | 0 | 112.1 | S20 D21 N22 V26 D27 N28 | S20-Q24 WeakPolarHBondContact O-CG 3.5Å; S20-Q24 PolarHBondContact O-N 2.97Å; S20-Q24 VanDerWaalsContact O-N 3.13Å; D21-Q24 PolarHBondContact O-N 3.14Å; N22-Q24 VanDerWaalsContact C-N 3.31Å; N22-Q24 PolarHBondContact O-N 2.87Å; Q24-V26 VanDerWaalsContact C-N 3.35Å; Q24-D27 PolarHBondContact O-N 2.83Å; Q24-N28 WeakPolarHBondContact O-CB 3.49Å; Q24-N28 PolarHBondContact O-N 3.44Å; Q24-N28 PolarHBondContact O-ND2 2.91Å |
| 25 | M | 86.9 | Confident | 89 | Confident | 102 Ų | 102 | 103.3 Ų | 103.3 | 50% | 0.502 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 175.8 | -69.5 | -174.3 | -164.6 | 0 | 0 | 111.5 | D21 N22 N28 L29 | D21-M25 WeakPolarHBondContact O-CG 3.46Å; D21-M25 PolarHBondContact O-N 3.28Å; D21-M25 VanDerWaalsContact OD2-CE 3.31Å; D21-M25 WeakPolarHBondContact OD2-CE 3.45Å; N22-M25 PolarHBondContact O-N 2.81Å; N22-M25 VanDerWaalsContact O-N 3.14Å; M25-N28 PolarHBondContact O-N 2.89Å; M25-L29 WeakPolarHBondContact O-CB 3.5Å; M25-L29 VanDerWaalsContact O-CG 3.31Å; M25-L29 WeakPolarHBondContact O-CG 3.29Å; M25-L29 PolarHBondContact O-N 3.14Å |
| 26 | V | 91.1 | Very high | 89.6 | Confident | 54 Ų | 54 | 102 Ų | 102 | 33% | 0.327 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 177.1 | 169.5 | 0 | 0 | 0 | 0 | 111.2 | N22 D23 Q24 L29 K30 | N22-V26 WeakPolarHBondContact O-CB 3.28Å; N22-V26 VanDerWaalsContact O-CG2 3.29Å; N22-V26 WeakPolarHBondContact O-CG2 3.38Å; N22-V26 PolarHBondContact O-N 3.39Å; D23-V26 PolarHBondContact O-N 2.99Å; Q24-V26 VanDerWaalsContact C-N 3.35Å; V26-L29 PolarHBondContact O-N 3.4Å; V26-K30 HydrophobicContact CG1-CD 4.26Å; V26-K30 WeakPolarHBondContact O-CG 3.42Å; V26-K30 PolarHBondContact O-N 3.4Å |
| 27 | D | 92.2 | Very high | 90.2 | Very high | 105 Ų | 105 | 102.3 Ų | 102.3 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.8 | -43.7 | 176.3 | -169.3 | 64.9 | 0 | 0 | 0 | 111.8 | D23 Q24 L29 K30 H31 | D23-D27 WeakPolarHBondContact O-CB 3.31Å; D23-D27 PolarHBondContact O-N 3.43Å; Q24-D27 PolarHBondContact O-N 2.83Å; D27-L29 VanDerWaalsContact C-N 3.34Å; D27-L29 PolarHBondContact O-N 3.31Å; D27-K30 WeakPolarHBondContact O-CB 3.49Å; D27-K30 PolarHBondContact O-N 2.91Å; D27-H31 PolarHBondContact O-N 2.97Å |
| 28 | N | 91.6 | Very high | 90.6 | Very high | 93 Ų | 93 | 97.5 Ų | 97.5 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 173.6 | -84.9 | -77.2 | 0 | 0 | 0 | 112.4 | Q24 M25 H31 K32 | Q24-N28 WeakPolarHBondContact O-CB 3.49Å; Q24-N28 PolarHBondContact O-N 3.44Å; Q24-N28 PolarHBondContact O-ND2 2.91Å; M25-N28 PolarHBondContact O-N 2.89Å; N28-H31 PolarHBondContact O-N 2.87Å; N28-K32 WeakPolarHBondContact O-CB 3.34Å; N28-K32 VanDerWaalsContact O-CG 3.31Å; N28-K32 WeakPolarHBondContact O-CG 3.31Å; N28-K32 PolarHBondContact O-N 3.4Å |
| 29 | L | 91.9 | Very high | 90.9 | Very high | 107 Ų | 107 | 97.5 Ų | 97.5 | 56% | 0.56 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.4 | -43.9 | 175.1 | -74.3 | 170.1 | 0 | 0 | 0 | 111.3 | M25 V26 D27 H31 K32 V33 | M25-L29 WeakPolarHBondContact O-CB 3.5Å; M25-L29 VanDerWaalsContact O-CG 3.31Å; M25-L29 WeakPolarHBondContact O-CG 3.29Å; M25-L29 PolarHBondContact O-N 3.14Å; V26-L29 PolarHBondContact O-N 3.4Å; D27-L29 VanDerWaalsContact C-N 3.34Å; D27-L29 PolarHBondContact O-N 3.31Å; L29-H31 VanDerWaalsContact C-N 3.34Å; L29-H31 PolarHBondContact O-N 3.09Å; L29-K32 PolarHBondContact O-N 2.93Å; L29-V33 WeakPolarHBondContact O-CB 3.46Å; L29-V33 VanDerWaalsContact O-CG2 3.26Å; L29-V33 WeakPolarHBondContact O-CG2 3.36Å; L29-V33 PolarHBondContact O-N 2.79Å |
| 30 | K | 92.4 | Very high | 91.2 | Very high | 131 Ų | 131 | 96.5 Ų | 96.5 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.1 | -44.2 | 175.2 | -76.3 | 173.9 | 180 | 172.8 | 0 | 111.7 | V26 D27 V33 T34 | V26-K30 HydrophobicContact CG1-CD 4.26Å; V26-K30 WeakPolarHBondContact O-CG 3.42Å; V26-K30 PolarHBondContact O-N 3.4Å; D27-K30 WeakPolarHBondContact O-CB 3.49Å; D27-K30 PolarHBondContact O-N 2.91Å; K30-V33 PolarHBondContact O-N 3.45Å; K30-T34 WeakPolarHBondContact O-CB 3.48Å; K30-T34 PolarHBondContact O-N 2.87Å; K30-T34 PolarHBondContact O-OG1 3.19Å |
| 31 | H | 93 | Very high | 91.5 | Very high | 127 Ų | 127 | 98.3 Ų | 98.3 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.7 | -49.5 | 176.6 | -173.6 | -72.3 | 0 | 0 | 0 | 111 | D27 N28 L29 V33 T34 T35 | D27-H31 PolarHBondContact O-N 2.97Å; N28-H31 PolarHBondContact O-N 2.87Å; L29-H31 VanDerWaalsContact C-N 3.34Å; L29-H31 PolarHBondContact O-N 3.09Å; H31-V33 VanDerWaalsContact C-N 3.35Å; H31-V33 PolarHBondContact O-N 3.4Å; H31-T34 WeakPolarHBondContact O-CB 3.45Å; H31-T34 PolarHBondContact O-N 3.42Å; H31-T34 VanDerWaalsContact O-N 3.14Å; H31-T35 PolarHBondContact O-N 2.87Å; H31-T35 PolarHBondContact O-OG1 3.47Å; H31-T35 VanDerWaalsContact O-OG1 3.09Å |
| 32 | K | 93.5 | Very high | 91.7 | Very high | 130 Ų | 130 | 99.7 Ų | 99.7 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.4 | -43.9 | 177.3 | -73.7 | 173.4 | -174.6 | -72 | 0 | 112.3 | N28 L29 T34 T35 L36 | N28-K32 WeakPolarHBondContact O-CB 3.34Å; N28-K32 VanDerWaalsContact O-CG 3.31Å; N28-K32 WeakPolarHBondContact O-CG 3.31Å; N28-K32 PolarHBondContact O-N 3.4Å; L29-K32 PolarHBondContact O-N 2.93Å; K32-T34 VanDerWaalsContact C-N 3.31Å; K32-T34 PolarHBondContact O-N 3.3Å; K32-T35 PolarHBondContact O-N 3.42Å; K32-L36 WeakPolarHBondContact O-CG 3.26Å; K32-L36 PolarHBondContact O-N 2.93Å |
| 33 | V | 94 | Very high | 91.9 | Very high | 92 Ų | 92 | 99.7 Ų | 99.7 | 56% | 0.558 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.7 | -39.1 | 177 | 170.3 | 0 | 0 | 0 | 0 | 111 | L29 K30 H31 L36 K37 | L29-V33 WeakPolarHBondContact O-CB 3.46Å; L29-V33 VanDerWaalsContact O-CG2 3.26Å; L29-V33 WeakPolarHBondContact O-CG2 3.36Å; L29-V33 PolarHBondContact O-N 2.79Å; K30-V33 PolarHBondContact O-N 3.45Å; H31-V33 VanDerWaalsContact C-N 3.35Å; H31-V33 PolarHBondContact O-N 3.4Å; V33-L36 PolarHBondContact O-N 3.41Å; V33-K37 VanDerWaalsContact O-CB 3.28Å; V33-K37 WeakPolarHBondContact O-CB 3.41Å; V33-K37 PolarHBondContact O-N 3.22Å |
| 34 | T | 92.3 | Very high | 91.9 | Very high | 93 Ų | 93 | 96.3 Ų | 96.3 | 57% | 0.571 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.4 | -41.8 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | K30 H31 K32 K37 S38 | K30-T34 WeakPolarHBondContact O-CB 3.48Å; K30-T34 PolarHBondContact O-N 2.87Å; K30-T34 PolarHBondContact O-OG1 3.19Å; H31-T34 WeakPolarHBondContact O-CB 3.45Å; H31-T34 PolarHBondContact O-N 3.42Å; H31-T34 VanDerWaalsContact O-N 3.14Å; K32-T34 VanDerWaalsContact C-N 3.31Å; K32-T34 PolarHBondContact O-N 3.3Å; T34-K37 WeakPolarHBondContact O-CB 3.28Å; T34-K37 PolarHBondContact O-N 2.97Å; T34-S38 PolarHBondContact O-N 3.34Å |
| 35 | T | 91.7 | Very high | 92 | Very high | 76 Ų | 76 | 95.4 Ų | 95.4 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -47.2 | 173.5 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | H31 K32 K37 S38 L39 | H31-T35 PolarHBondContact O-N 2.87Å; H31-T35 PolarHBondContact O-OG1 3.47Å; H31-T35 VanDerWaalsContact O-OG1 3.09Å; K32-T35 PolarHBondContact O-N 3.42Å; T35-K37 VanDerWaalsContact C-N 3.3Å; T35-K37 PolarHBondContact O-N 2.94Å; T35-S38 PolarHBondContact O-N 3.34Å; T35-L39 PolarHBondContact O-N 2.85Å |
| 36 | L | 94.3 | Very high | 92 | Very high | 105 Ų | 105 | 93.3 Ų | 93.3 | 55% | 0.55 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 177.1 | -73.4 | 172.4 | 0 | 0 | 0 | 112 | K32 V33 L39 T40 | K32-L36 WeakPolarHBondContact O-CG 3.26Å; K32-L36 PolarHBondContact O-N 2.93Å; V33-L36 PolarHBondContact O-N 3.41Å; L36-L39 PolarHBondContact O-N 3.06Å; L36-T40 WeakPolarHBondContact O-CB 3.46Å; L36-T40 PolarHBondContact O-N 3.35Å; L36-T40 PolarHBondContact O-OG1 2.93Å |
| 37 | K | 94 | Very high | 91.9 | Very high | 140 Ų | 140 | 94.1 Ų | 94.1 | 61% | 0.609 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.5 | -46.8 | 174.4 | -176.6 | -179.7 | 179.4 | -176.7 | 0 | 110.9 | V33 T34 T35 T40 I41 | V33-K37 VanDerWaalsContact O-CB 3.28Å; V33-K37 WeakPolarHBondContact O-CB 3.41Å; V33-K37 PolarHBondContact O-N 3.22Å; T34-K37 WeakPolarHBondContact O-CB 3.28Å; T34-K37 PolarHBondContact O-N 2.97Å; T35-K37 VanDerWaalsContact C-N 3.3Å; T35-K37 PolarHBondContact O-N 2.94Å; K37-T40 PolarHBondContact O-N 2.9Å; K37-I41 HydrophobicContact CG-CD1 4.12Å; K37-I41 VanDerWaalsContact O-CG1 3.3Å; K37-I41 WeakPolarHBondContact O-CG1 3.2Å; K37-I41 PolarHBondContact O-N 2.88Å |
| 38 | S | 91.8 | Very high | 91.7 | Very high | 61 Ų | 61 | 98.1 Ų | 98.1 | 43% | 0.427 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.6 | -51 | 175.6 | -164.4 | 0 | 0 | 0 | 0 | 111.2 | T34 T35 T40 I41 D42 | T34-S38 PolarHBondContact O-N 3.34Å; T35-S38 PolarHBondContact O-N 3.34Å; S38-T40 PolarHBondContact O-N 3.41Å; S38-I41 WeakPolarHBondContact O-CB 3.48Å; S38-I41 PolarHBondContact O-N 2.73Å; S38-D42 PolarHBondContact O-N 3.45Å |
| 39 | L | 92.3 | Very high | 91.4 | Very high | 96 Ų | 96 | 100 Ų | 100 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.4 | -37.9 | 179.8 | -176.9 | 63.6 | 0 | 0 | 0 | 112.1 | T35 L36 D42 I43 | T35-L39 PolarHBondContact O-N 2.85Å; L36-L39 PolarHBondContact O-N 3.06Å; L39-D42 PolarHBondContact O-N 3.04Å; L39-I43 HydrophobicContact CD1-CD1 4.43Å; L39-I43 HydrophobicContact CG-CD1 4.06Å; L39-I43 WeakPolarHBondContact O-CB 3.48Å; L39-I43 WeakPolarHBondContact O-CD1 3.42Å; L39-I43 WeakPolarHBondContact O-CG1 3.29Å; L39-I43 PolarHBondContact O-N 3.22Å |
| 40 | T | 90.7 | Very high | 90.9 | Very high | 94 Ų | 94 | 99.3 Ų | 99.3 | 58% | 0.577 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.1 | -38.3 | 178.2 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | L36 K37 S38 G44 | L36-T40 WeakPolarHBondContact O-CB 3.46Å; L36-T40 PolarHBondContact O-N 3.35Å; L36-T40 PolarHBondContact O-OG1 2.93Å; K37-T40 PolarHBondContact O-N 2.9Å; S38-T40 PolarHBondContact O-N 3.41Å; T40-G44 PolarHBondContact O-N 3.49Å |
| 41 | I | 91.3 | Very high | 90.6 | Very high | 86 Ų | 86 | 97.8 Ų | 97.8 | 44% | 0.441 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.3 | -48.1 | 173.7 | -67.7 | 164.8 | 0 | 0 | 0 | 109.6 | K37 S38 I43 G44 D45 | K37-I41 HydrophobicContact CG-CD1 4.12Å; K37-I41 VanDerWaalsContact O-CG1 3.3Å; K37-I41 WeakPolarHBondContact O-CG1 3.2Å; K37-I41 PolarHBondContact O-N 2.88Å; S38-I41 WeakPolarHBondContact O-CB 3.48Å; S38-I41 PolarHBondContact O-N 2.73Å; I41-I43 VanDerWaalsContact C-N 3.32Å; I41-I43 PolarHBondContact O-N 2.73Å; I41-G44 CarbonylContact O-C 3.6Å; I41-G44 WeakPolarHBondContact O-CA 3.45Å; I41-G44 PolarHBondContact O-N 3.41Å; I41-D45 PolarHBondContact O-N 2.87Å |
| 42 | D | 91.7 | Very high | 90 | Very high | 90 Ų | 90 | 100 Ų | 100 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 179.5 | -61.7 | -28.1 | 0 | 0 | 0 | 111.4 | S38 L39 D45 E46 | S38-D42 PolarHBondContact O-N 3.45Å; L39-D42 PolarHBondContact O-N 3.04Å; D42-D45 PolarHBondContact O-N 2.99Å; D42-E46 VanDerWaalsContact O-CB 3.29Å; D42-E46 WeakPolarHBondContact O-CB 3.27Å; D42-E46 PolarHBondContact O-N 2.66Å |
| 43 | I | 92.1 | Very high | 89.1 | Confident | 95 Ų | 95 | 99.7 Ų | 99.7 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 173.3 | -69.7 | 164.8 | 0 | 0 | 0 | 111 | L39 I41 D45 E46 V47 | L39-I43 HydrophobicContact CD1-CD1 4.43Å; L39-I43 HydrophobicContact CG-CD1 4.06Å; L39-I43 WeakPolarHBondContact O-CB 3.48Å; L39-I43 WeakPolarHBondContact O-CD1 3.42Å; L39-I43 WeakPolarHBondContact O-CG1 3.29Å; L39-I43 PolarHBondContact O-N 3.22Å; I41-I43 VanDerWaalsContact C-N 3.32Å; I41-I43 PolarHBondContact O-N 2.73Å; I43-D45 VanDerWaalsContact C-N 3.35Å; I43-D45 PolarHBondContact O-N 3Å; I43-E46 PolarHBondContact O-N 2.8Å; I43-V47 HydrophobicContact CG2-CG2 4.37Å; I43-V47 WeakPolarHBondContact O-CB 3.3Å; I43-V47 VanDerWaalsContact O-CG2 3.27Å; I43-V47 WeakPolarHBondContact O-CG2 3.37Å; I43-V47 PolarHBondContact O-N 2.86Å |
| 44 | G | 90.8 | Very high | 88.5 | Confident | 31 Ų | 31 | 100.2 Ų | 100.2 | 32% | 0.32 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | T40 I41 R48 | T40-G44 PolarHBondContact O-N 3.49Å; I41-G44 CarbonylContact O-C 3.6Å; I41-G44 WeakPolarHBondContact O-CA 3.45Å; I41-G44 PolarHBondContact O-N 3.41Å; G44-R48 PolarHBondContact O-N 2.9Å; G44-R48 VanDerWaalsContact O-N 3.09Å |
| 45 | D | 92 | Very high | 87.8 | Confident | 95 Ų | 95 | 98 Ų | 98 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.5 | -39.7 | 177.2 | -73.1 | -16.3 | 0 | 0 | 0 | 111.6 | I41 D42 I43 R48 R49 | I41-D45 PolarHBondContact O-N 2.87Å; D42-D45 PolarHBondContact O-N 2.99Å; I43-D45 VanDerWaalsContact C-N 3.35Å; I43-D45 PolarHBondContact O-N 3Å; D45-R48 PolarHBondContact O-N 3.16Å; D45-R49 WeakPolarHBondContact O-CB 3.33Å; D45-R49 PolarHBondContact O-N 3.41Å |
| 46 | E | 87.9 | Confident | 87.2 | Confident | 59 Ų | 59 | 95.8 Ų | 95.8 | 28% | 0.276 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 173.9 | -175.1 | 62.5 | -146.2 | 0 | 0 | 111.4 | D42 I43 R48 R49 Q50 | D42-E46 VanDerWaalsContact O-CB 3.29Å; D42-E46 WeakPolarHBondContact O-CB 3.27Å; D42-E46 PolarHBondContact O-N 2.66Å; I43-E46 PolarHBondContact O-N 2.8Å; E46-R48 VanDerWaalsContact C-N 3.32Å; E46-R48 PolarHBondContact O-N 3.41Å; E46-R49 PolarHBondContact O-N 3.29Å; E46-R49 VanDerWaalsContact O-N 3.15Å; E46-R49 IonicContact OE1-CZ 3.94Å; E46-R49 IonicContact OE1-NH2 2.8Å; E46-R49 PolarHBondContact OE1-NH2 2.92Å; E46-R49 IonicContact OE2-CZ 2.73Å; E46-R49 IonicContact OE2-NH1 2.8Å; E46-R49 PolarHBondContact OE2-NH1 2.88Å; E46-R49 IonicContact OE2-NH2 3.5Å; E46-R49 PolarHBondContact OE2-NH2 2.83Å; E46-Q50 HydrophobicContact CG-CG 4.48Å; E46-Q50 WeakPolarHBondContact O-CB 3.44Å; E46-Q50 WeakPolarHBondContact O-CG 3.33Å; E46-Q50 PolarHBondContact O-N 3.09Å; E46-Q50 PolarHBondContact OE1-NE2 3.36Å |
| 47 | V | 89.2 | Confident | 86.5 | Confident | 70 Ų | 70 | 94.7 Ų | 94.7 | 42% | 0.424 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 177.1 | 169.9 | 0 | 0 | 0 | 0 | 111 | I43 N51 | I43-V47 HydrophobicContact CG2-CG2 4.37Å; I43-V47 WeakPolarHBondContact O-CB 3.3Å; I43-V47 VanDerWaalsContact O-CG2 3.27Å; I43-V47 WeakPolarHBondContact O-CG2 3.37Å; I43-V47 PolarHBondContact O-N 2.86Å; V47-N51 VanDerWaalsContact O-CB 3.25Å; V47-N51 WeakPolarHBondContact O-CB 3.44Å; V47-N51 PolarHBondContact O-N 3.15Å; V47-N51 PolarHBondContact O-ND2 2.84Å; V47-N51 VanDerWaalsContact O-ND2 3.16Å |
| 48 | R | 86.9 | Confident | 86 | Confident | 190 Ų | 190 | 95 Ų | 95 | 72% | 0.717 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.1 | -40.5 | 173.1 | -82.3 | 177 | -155.5 | -88.1 | -6.6 | 112.3 | G44 D45 E46 N51 K52 | G44-R48 PolarHBondContact O-N 2.9Å; G44-R48 VanDerWaalsContact O-N 3.09Å; D45-R48 PolarHBondContact O-N 3.16Å; E46-R48 VanDerWaalsContact C-N 3.32Å; E46-R48 PolarHBondContact O-N 3.41Å; R48-N51 PolarHBondContact O-N 2.9Å; R48-K52 WeakPolarHBondContact O-CB 3.43Å; R48-K52 PolarHBondContact O-N 3.08Å |
| 49 | R | 85.4 | Confident | 85.7 | Confident | 132 Ų | 132 | 97.3 Ų | 97.3 | 50% | 0.498 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 177.5 | -166.6 | 175.4 | 78.8 | -124.1 | 1 | 110.8 | D45 E46 N51 K52 E53 | D45-R49 WeakPolarHBondContact O-CB 3.33Å; D45-R49 PolarHBondContact O-N 3.41Å; E46-R49 PolarHBondContact O-N 3.29Å; E46-R49 VanDerWaalsContact O-N 3.15Å; E46-R49 IonicContact OE1-CZ 3.94Å; E46-R49 IonicContact OE1-NH2 2.8Å; E46-R49 PolarHBondContact OE1-NH2 2.92Å; E46-R49 IonicContact OE2-CZ 2.73Å; E46-R49 IonicContact OE2-NH1 2.8Å; E46-R49 PolarHBondContact OE2-NH1 2.88Å; E46-R49 IonicContact OE2-NH2 3.5Å; E46-R49 PolarHBondContact OE2-NH2 2.83Å; R49-N51 PolarHBondContact O-N 3.34Å; R49-K52 WeakPolarHBondContact O-CB 3.37Å; R49-K52 PolarHBondContact O-N 3.21Å; R49-K52 VanDerWaalsContact O-N 3.1Å; R49-E53 IonicContact NE-OE1 2.96Å; R49-E53 PolarHBondContact O-N 2.94Å |
| 50 | Q | 82.5 | Confident | 85.4 | Confident | 93 Ų | 93 | 99.3 Ų | 99.3 | 44% | 0.435 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 176.4 | -69.7 | 178.9 | 4.2 | 0 | 0 | 112.1 | E46 K52 E53 L54 | E46-Q50 HydrophobicContact CG-CG 4.48Å; E46-Q50 WeakPolarHBondContact O-CB 3.44Å; E46-Q50 WeakPolarHBondContact O-CG 3.33Å; E46-Q50 PolarHBondContact O-N 3.09Å; E46-Q50 PolarHBondContact OE1-NE2 3.36Å; Q50-K52 VanDerWaalsContact C-N 3.28Å; Q50-K52 PolarHBondContact O-N 2.85Å; Q50-E53 PolarHBondContact O-N 3.4Å; Q50-L54 WeakPolarHBondContact O-CG 3.25Å; Q50-L54 PolarHBondContact O-N 3.46Å |
| 51 | N | 84.4 | Confident | 85.2 | Confident | 98 Ų | 98 | 101.8 Ų | 101.8 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -32.9 | 173.3 | -78.7 | -29 | 0 | 0 | 0 | 112.7 | V47 R48 R49 L54 G55 | V47-N51 VanDerWaalsContact O-CB 3.25Å; V47-N51 WeakPolarHBondContact O-CB 3.44Å; V47-N51 PolarHBondContact O-N 3.15Å; V47-N51 PolarHBondContact O-ND2 2.84Å; V47-N51 VanDerWaalsContact O-ND2 3.16Å; R48-N51 PolarHBondContact O-N 2.9Å; R49-N51 PolarHBondContact O-N 3.34Å; N51-L54 WeakPolarHBondContact O-CB 3.5Å; N51-G55 PolarHBondContact O-N 3.18Å |
| 52 | K | 81.6 | Confident | 85.1 | Confident | 175 Ų | 175 | 102.7 Ų | 102.7 | 76% | 0.761 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70 | -39.8 | 173.2 | -172.5 | -180 | 178.7 | -177 | 0 | 111.7 | R48 R49 Q50 L54 G55 G56 | R48-K52 WeakPolarHBondContact O-CB 3.43Å; R48-K52 PolarHBondContact O-N 3.08Å; R49-K52 WeakPolarHBondContact O-CB 3.37Å; R49-K52 PolarHBondContact O-N 3.21Å; R49-K52 VanDerWaalsContact O-N 3.1Å; Q50-K52 VanDerWaalsContact C-N 3.28Å; Q50-K52 PolarHBondContact O-N 2.85Å; K52-L54 VanDerWaalsContact C-N 3.34Å; K52-G55 WeakPolarHBondContact O-CA 3.49Å; K52-G55 PolarHBondContact O-N 3.29Å; K52-G55 VanDerWaalsContact O-N 3.1Å; K52-G56 PolarHBondContact O-N 2.83Å |
| 53 | E | 75.1 | Confident | 84.9 | Confident | 122 Ų | 122 | 101.8 Ų | 101.8 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.4 | -35.3 | 174.6 | -71 | 174 | -164.7 | 0 | 0 | 112.1 | R49 Q50 G55 G56 L57 | R49-E53 IonicContact NE-OE1 2.96Å; R49-E53 PolarHBondContact O-N 2.94Å; Q50-E53 PolarHBondContact O-N 3.4Å; E53-G55 PolarHBondContact O-N 3.1Å; E53-G56 CarbonylContact O-C 3.56Å; E53-G56 WeakPolarHBondContact O-CA 3.46Å; E53-G56 PolarHBondContact O-N 2.96Å; E53-L57 PolarHBondContact O-N 3.48Å; E53-L57 VanDerWaalsContact O-N 3.08Å |
| 54 | L | 79.6 | Confident | 84.8 | Confident | 103 Ų | 103 | 98.9 Ų | 98.9 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -32.7 | 169 | -79.9 | 156.8 | 0 | 0 | 0 | 112.1 | Q50 N51 K52 G56 L57 | Q50-L54 WeakPolarHBondContact O-CG 3.25Å; Q50-L54 PolarHBondContact O-N 3.46Å; N51-L54 WeakPolarHBondContact O-CB 3.5Å; K52-L54 VanDerWaalsContact C-N 3.34Å; L54-G56 VanDerWaalsContact C-N 3.31Å; L54-L57 VanDerWaalsContact O-CB 3.31Å; L54-L57 WeakPolarHBondContact O-CB 3.38Å; L54-L57 PolarHBondContact O-N 3.27Å |
| 55 | G | 79.2 | Confident | 84.8 | Confident | 47 Ų | 47 | 105.5 Ų | 105.5 | 49% | 0.485 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.1 | -30 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N51 K52 E53 L57 | N51-G55 PolarHBondContact O-N 3.18Å; K52-G55 WeakPolarHBondContact O-CA 3.49Å; K52-G55 PolarHBondContact O-N 3.29Å; K52-G55 VanDerWaalsContact O-N 3.1Å; E53-G55 PolarHBondContact O-N 3.1Å; G55-L57 VanDerWaalsContact C-N 3.32Å |
| 56 | G | 78.7 | Confident | 84.7 | Confident | 29 Ų | 29 | 104.8 Ų | 104.8 | 30% | 0.299 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -74 | -21.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | K52 E53 L54 E58 D59 H60 | K52-G56 PolarHBondContact O-N 2.83Å; E53-G56 CarbonylContact O-C 3.56Å; E53-G56 WeakPolarHBondContact O-CA 3.46Å; E53-G56 PolarHBondContact O-N 2.96Å; L54-G56 VanDerWaalsContact C-N 3.31Å; G56-E58 VanDerWaalsContact C-N 3.27Å; G56-E58 PolarHBondContact O-N 3.35Å; G56-D59 PolarHBondContact O-N 3.41Å; G56-H60 PolarHBondContact O-CD2 3.28Å; G56-H60 PolarHBondContact O-N 3.38Å |
| 57 | L | 80.3 | Confident | 84.9 | Confident | 82 Ų | 82 | 106.3 Ų | 106.3 | 43% | 0.429 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.7 | -32.5 | 175.7 | -174.5 | 60.9 | 0 | 0 | 0 | 111.9 | E53 L54 G55 H60 F61 | E53-L57 PolarHBondContact O-N 3.48Å; E53-L57 VanDerWaalsContact O-N 3.08Å; L54-L57 VanDerWaalsContact O-CB 3.31Å; L54-L57 WeakPolarHBondContact O-CB 3.38Å; L54-L57 PolarHBondContact O-N 3.27Å; G55-L57 VanDerWaalsContact C-N 3.32Å; L57-H60 PolarHBondContact O-N 3.2Å; L57-F61 HydrophobicContact CD1-CD2 3.64Å; L57-F61 HydrophobicContact CD1-CE2 3.75Å; L57-F61 HydrophobicContact CD2-CD2 4.4Å; L57-F61 HydrophobicContact CD2-CE2 4.18Å; L57-F61 HydrophobicContact CG-CD2 3.69Å; L57-F61 HydrophobicContact CG-CE2 3.91Å; L57-F61 WeakPolarHBondContact O-CB 3.31Å; L57-F61 WeakPolarHBondContact O-CD2 3.38Å; L57-F61 PolarHBondContact O-N 3.25Å |
| 58 | E | 83.3 | Confident | 85.1 | Confident | 148 Ų | 148 | 107.8 Ų | 107.8 | 69% | 0.692 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.4 | -45.9 | 175.8 | -173.7 | 170.7 | -179.4 | 0 | 0 | 111.5 | G56 F61 E62 | G56-E58 VanDerWaalsContact C-N 3.27Å; G56-E58 PolarHBondContact O-N 3.35Å; E58-F61 PolarHBondContact O-N 3.1Å; E58-E62 WeakPolarHBondContact O-CB 3.36Å; E58-E62 PolarHBondContact O-N 3.23Å |
| 59 | D | 85.1 | Confident | 85.2 | Confident | 109 Ų | 109 | 102 Ų | 102 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -41.6 | 177.5 | -172.6 | 49 | 0 | 0 | 0 | 111.8 | G56 E62 S63 | G56-D59 PolarHBondContact O-N 3.41Å; D59-E62 PolarHBondContact O-N 3.45Å; D59-S63 WeakPolarHBondContact O-CB 3.4Å; D59-S63 PolarHBondContact O-N 2.78Å |
| 60 | H | 85.1 | Confident | 85.4 | Confident | 137 Ų | 137 | 97.8 Ų | 97.8 | 63% | 0.634 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.2 | -40.8 | 174.3 | -70 | -49 | 0 | 0 | 0 | 112.8 | G56 L57 G64 | G56-H60 PolarHBondContact O-CD2 3.28Å; G56-H60 PolarHBondContact O-N 3.38Å; L57-H60 PolarHBondContact O-N 3.2Å; H60-G64 PolarHBondContact O-N 3.47Å |
| 61 | F | 87.9 | Confident | 85.7 | Confident | 146 Ų | 146 | 96.6 Ų | 96.6 | 64% | 0.64 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.7 | -39.4 | 174.8 | -102.7 | -90.6 | 0 | 0 | 0 | 111.7 | L57 E58 G64 R65 | L57-F61 HydrophobicContact CD1-CD2 3.64Å; L57-F61 HydrophobicContact CD1-CE2 3.75Å; L57-F61 HydrophobicContact CD2-CD2 4.4Å; L57-F61 HydrophobicContact CD2-CE2 4.18Å; L57-F61 HydrophobicContact CG-CD2 3.69Å; L57-F61 HydrophobicContact CG-CE2 3.91Å; L57-F61 WeakPolarHBondContact O-CB 3.31Å; L57-F61 WeakPolarHBondContact O-CD2 3.38Å; L57-F61 PolarHBondContact O-N 3.25Å; E58-F61 PolarHBondContact O-N 3.1Å; F61-G64 PolarHBondContact O-N 2.95Å; F61-R65 WeakPolarHBondContact O-CB 3.46Å; F61-R65 PolarHBondContact O-N 2.91Å |
| 62 | E | 88.5 | Confident | 85.8 | Confident | 106 Ų | 106 | 98 Ų | 98 | 50% | 0.495 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 176.4 | -169 | -176.3 | 157.3 | 0 | 0 | 110.8 | E58 D59 G64 R65 N66 | E58-E62 WeakPolarHBondContact O-CB 3.36Å; E58-E62 PolarHBondContact O-N 3.23Å; D59-E62 PolarHBondContact O-N 3.45Å; E62-G64 PolarHBondContact O-N 3.49Å; E62-R65 WeakPolarHBondContact O-CB 3.1Å; E62-R65 PolarHBondContact O-N 3.37Å; E62-N66 WeakPolarHBondContact O-CB 3.28Å; E62-N66 PolarHBondContact O-N 2.85Å; E62-N66 PolarHBondContact O-ND2 3.18Å |
| 63 | S | 87.2 | Confident | 86 | Confident | 71 Ų | 71 | 97.4 Ų | 97.4 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.1 | -48.1 | 175.2 | -176 | 0 | 0 | 0 | 0 | 112 | D59 R65 N66 V67 | D59-S63 WeakPolarHBondContact O-CB 3.4Å; D59-S63 PolarHBondContact O-N 2.78Å; S63-R65 VanDerWaalsContact C-N 3.35Å; S63-R65 PolarHBondContact O-N 2.81Å; S63-N66 PolarHBondContact O-N 2.92Å; S63-V67 WeakPolarHBondContact O-CG2 3.39Å; S63-V67 PolarHBondContact O-N 3.36Å; S63-V67 VanDerWaalsContact O-N 3.14Å |
| 64 | G | 89.1 | Confident | 86.4 | Confident | 33 Ų | 33 | 99.9 Ų | 99.9 | 34% | 0.34 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | H60 F61 E62 V67 L68 | H60-G64 PolarHBondContact O-N 3.47Å; F61-G64 PolarHBondContact O-N 2.95Å; E62-G64 PolarHBondContact O-N 3.49Å; G64-V67 PolarHBondContact O-N 3.14Å; G64-L68 WeakPolarHBondContact O-CD1 3.2Å; G64-L68 PolarHBondContact O-N 3.27Å |
| 65 | R | 90.8 | Very high | 86.6 | Confident | 171 Ų | 171 | 100.2 Ų | 100.2 | 65% | 0.645 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.8 | -41.9 | 175.6 | 176.8 | -176 | 159.7 | 96 | 4.8 | 111.5 | F61 E62 S63 V67 L68 E69 | F61-R65 WeakPolarHBondContact O-CB 3.46Å; F61-R65 PolarHBondContact O-N 2.91Å; E62-R65 WeakPolarHBondContact O-CB 3.1Å; E62-R65 PolarHBondContact O-N 3.37Å; S63-R65 VanDerWaalsContact C-N 3.35Å; S63-R65 PolarHBondContact O-N 2.81Å; R65-V67 VanDerWaalsContact C-N 3.35Å; R65-V67 PolarHBondContact O-N 3.47Å; R65-L68 CarbonylContact O-C 3.48Å; R65-L68 PolarHBondContact O-N 3.27Å; R65-E69 VanDerWaalsContact O-CB 3.28Å; R65-E69 WeakPolarHBondContact O-CB 3.48Å; R65-E69 PolarHBondContact O-N 2.74Å |
| 66 | N | 91.4 | Very high | 86.7 | Confident | 80 Ų | 80 | 99.6 Ų | 99.6 | 43% | 0.428 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 177.8 | -72.5 | -25.8 | 0 | 0 | 0 | 111.6 | E62 S63 E69 A70 | E62-N66 WeakPolarHBondContact O-CB 3.28Å; E62-N66 PolarHBondContact O-N 2.85Å; E62-N66 PolarHBondContact O-ND2 3.18Å; S63-N66 PolarHBondContact O-N 2.92Å; N66-E69 PolarHBondContact O-N 2.89Å; N66-A70 WeakPolarHBondContact O-CB 3.42Å; N66-A70 PolarHBondContact O-N 3.17Å |
| 67 | V | 91.4 | Very high | 86.3 | Confident | 90 Ų | 90 | 103.8 Ų | 103.8 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 174.3 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | S63 G64 R65 A70 T71 | S63-V67 WeakPolarHBondContact O-CG2 3.39Å; S63-V67 PolarHBondContact O-N 3.36Å; S63-V67 VanDerWaalsContact O-N 3.14Å; G64-V67 PolarHBondContact O-N 3.14Å; R65-V67 VanDerWaalsContact C-N 3.35Å; R65-V67 PolarHBondContact O-N 3.47Å; V67-A70 PolarHBondContact O-N 2.99Å; V67-T71 PolarHBondContact O-N 2.91Å; V67-T71 PolarHBondContact O-OG1 2.82Å |
| 68 | L | 92.8 | Very high | 85.8 | Confident | 101 Ų | 101 | 105.4 Ų | 105.4 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 174.6 | -99.8 | 74.1 | 0 | 0 | 0 | 111.5 | G64 R65 T71 M72 | G64-L68 WeakPolarHBondContact O-CD1 3.2Å; G64-L68 PolarHBondContact O-N 3.27Å; R65-L68 CarbonylContact O-C 3.48Å; R65-L68 PolarHBondContact O-N 3.27Å; L68-T71 CarbonylContact O-C 3.55Å; L68-T71 WeakPolarHBondContact O-CA 3.44Å; L68-T71 WeakPolarHBondContact O-CB 3.28Å; L68-T71 PolarHBondContact O-N 2.77Å; L68-M72 HydrophobicContact CB-CE 4.43Å; L68-M72 HydrophobicContact CD2-CE 4.42Å; L68-M72 WeakPolarHBondContact O-CB 3.5Å; L68-M72 WeakPolarHBondContact O-CG 3.34Å; L68-M72 PolarHBondContact O-N 3.29Å |
| 69 | E | 90.5 | Very high | 85.1 | Confident | 69 Ų | 69 | 103.1 Ų | 103.1 | 32% | 0.322 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 177.4 | -167 | -166.8 | 129.4 | 0 | 0 | 110.4 | R65 N66 T71 M72 R73 | R65-E69 VanDerWaalsContact O-CB 3.28Å; R65-E69 WeakPolarHBondContact O-CB 3.48Å; R65-E69 PolarHBondContact O-N 2.74Å; N66-E69 PolarHBondContact O-N 2.89Å; E69-T71 VanDerWaalsContact C-N 3.29Å; E69-T71 PolarHBondContact O-N 3.39Å; E69-M72 PolarHBondContact O-N 2.72Å; E69-R73 HydrophobicContact CG-CG 4.42Å; E69-R73 WeakPolarHBondContact O-CB 3.36Å; E69-R73 WeakPolarHBondContact O-CG 3.48Å; E69-R73 PolarHBondContact O-N 3.41Å; E69-R73 IonicContact OE1-CZ 3.72Å; E69-R73 IonicContact OE1-NH1 2.66Å; E69-R73 PolarHBondContact OE1-NH1 3.4Å |
| 70 | A | 89.2 | Confident | 84 | Confident | 44 Ų | 44 | 108.8 Ų | 108.8 | 36% | 0.364 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.4 | -43 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N66 V67 R73 R74 | N66-A70 WeakPolarHBondContact O-CB 3.42Å; N66-A70 PolarHBondContact O-N 3.17Å; V67-A70 PolarHBondContact O-N 2.99Å; A70-R73 PolarHBondContact O-N 3.43Å; A70-R74 VanDerWaalsContact O-CG 3.29Å; A70-R74 WeakPolarHBondContact O-CG 3.13Å; A70-R74 PolarHBondContact O-N 3.5Å |
| 71 | T | 88.5 | Confident | 82.7 | Confident | 68 Ų | 68 | 106.2 Ų | 106.2 | 42% | 0.417 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 174.9 | -56 | 0 | 0 | 0 | 0 | 111.8 | V67 L68 E69 R73 R74 L75 | V67-T71 PolarHBondContact O-N 2.91Å; V67-T71 PolarHBondContact O-OG1 2.82Å; L68-T71 CarbonylContact O-C 3.55Å; L68-T71 WeakPolarHBondContact O-CA 3.44Å; L68-T71 WeakPolarHBondContact O-CB 3.28Å; L68-T71 PolarHBondContact O-N 2.77Å; E69-T71 VanDerWaalsContact C-N 3.29Å; E69-T71 PolarHBondContact O-N 3.39Å; T71-R73 PolarHBondContact O-N 2.71Å; T71-R74 WeakPolarHBondContact O-CB 3.46Å; T71-R74 PolarHBondContact O-N 3.28Å; T71-L75 HydrophobicContact CG2-CD1 3.94Å; T71-L75 VanDerWaalsContact O-CD1 3.28Å; T71-L75 WeakPolarHBondContact O-CD1 3.37Å; T71-L75 PolarHBondContact O-N 3.49Å |
| 72 | M | 87.2 | Confident | 81.3 | Confident | 127 Ų | 127 | 101.5 Ų | 101.5 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65 | -36.9 | 177.3 | -72.4 | -166.1 | -144.9 | 0 | 0 | 112.2 | L68 E69 R74 L75 G76 | L68-M72 HydrophobicContact CB-CE 4.43Å; L68-M72 HydrophobicContact CD2-CE 4.42Å; L68-M72 WeakPolarHBondContact O-CB 3.5Å; L68-M72 WeakPolarHBondContact O-CG 3.34Å; L68-M72 PolarHBondContact O-N 3.29Å; E69-M72 PolarHBondContact O-N 2.72Å; M72-R74 VanDerWaalsContact C-N 3.34Å; M72-L75 PolarHBondContact O-N 3.48Å; M72-G76 WeakPolarHBondContact O-CA 3.47Å; M72-G76 PolarHBondContact O-N 3.33Å |
| 73 | R | 85.4 | Confident | 80.1 | Confident | 162 Ų | 162 | 97.8 Ų | 97.8 | 61% | 0.611 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | 173.2 | -72.8 | 169.4 | 96.5 | 154.8 | -0.7 | 110.3 | E69 A70 T71 G76 L77 | E69-R73 HydrophobicContact CG-CG 4.42Å; E69-R73 WeakPolarHBondContact O-CB 3.36Å; E69-R73 WeakPolarHBondContact O-CG 3.48Å; E69-R73 PolarHBondContact O-N 3.41Å; E69-R73 IonicContact OE1-CZ 3.72Å; E69-R73 IonicContact OE1-NH1 2.66Å; E69-R73 PolarHBondContact OE1-NH1 3.4Å; A70-R73 PolarHBondContact O-N 3.43Å; T71-R73 PolarHBondContact O-N 2.71Å; R73-G76 PolarHBondContact O-N 2.8Å; R73-L77 VanDerWaalsContact O-CB 3.23Å; R73-L77 WeakPolarHBondContact O-CB 3.49Å; R73-L77 WeakPolarHBondContact O-CG 3.33Å; R73-L77 PolarHBondContact O-N 3.35Å |
| 74 | R | 83 | Confident | 79.1 | Confident | 175 Ų | 175 | 98.1 Ų | 98.1 | 66% | 0.66 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.1 | -46.9 | 172.8 | -70.1 | 172.2 | -174.2 | -164.6 | 2.2 | 111.5 | A70 T71 M72 G76 L77 I78 | A70-R74 VanDerWaalsContact O-CG 3.29Å; A70-R74 WeakPolarHBondContact O-CG 3.13Å; A70-R74 PolarHBondContact O-N 3.5Å; T71-R74 WeakPolarHBondContact O-CB 3.46Å; T71-R74 PolarHBondContact O-N 3.28Å; M72-R74 VanDerWaalsContact C-N 3.34Å; R74-G76 PolarHBondContact O-N 2.98Å; R74-L77 PolarHBondContact O-N 2.82Å; R74-I78 WeakPolarHBondContact O-CB 3.14Å; R74-I78 WeakPolarHBondContact O-CD1 3.15Å; R74-I78 WeakPolarHBondContact O-CG1 3.23Å; R74-I78 PolarHBondContact O-N 3.45Å |
| 75 | L | 83.6 | Confident | 78.1 | Confident | 109 Ų | 109 | 105.8 Ų | 105.8 | 57% | 0.571 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.5 | -39.7 | 177.2 | -94.3 | 70.1 | 0 | 0 | 0 | 112.4 | T71 M72 I78 S79 | T71-L75 HydrophobicContact CG2-CD1 3.94Å; T71-L75 VanDerWaalsContact O-CD1 3.28Å; T71-L75 WeakPolarHBondContact O-CD1 3.37Å; T71-L75 PolarHBondContact O-N 3.49Å; M72-L75 PolarHBondContact O-N 3.48Å; L75-I78 PolarHBondContact O-N 2.87Å; L75-S79 WeakPolarHBondContact O-CB 3.41Å; L75-S79 PolarHBondContact O-N 2.75Å |
| 76 | G | 80.9 | Confident | 77.3 | Confident | 34 Ų | 34 | 104.8 Ų | 104.8 | 35% | 0.351 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.3 | -39.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | M72 R73 R74 S79 R80 | M72-G76 WeakPolarHBondContact O-CA 3.47Å; M72-G76 PolarHBondContact O-N 3.33Å; R73-G76 PolarHBondContact O-N 2.8Å; R74-G76 PolarHBondContact O-N 2.98Å; G76-S79 PolarHBondContact O-N 3.49Å; G76-R80 WeakPolarHBondContact O-CB 3.29Å; G76-R80 PolarHBondContact O-N 2.8Å |
| 77 | L | 71.9 | Confident | 76.6 | Confident | 118 Ų | 118 | 104.7 Ų | 104.7 | 62% | 0.618 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 169.8 | -72.7 | 170.8 | 0 | 0 | 0 | 110.7 | R73 R74 S79 S81 | R73-L77 VanDerWaalsContact O-CB 3.23Å; R73-L77 WeakPolarHBondContact O-CB 3.49Å; R73-L77 WeakPolarHBondContact O-CG 3.33Å; R73-L77 PolarHBondContact O-N 3.35Å; R74-L77 PolarHBondContact O-N 2.82Å; L77-S79 VanDerWaalsContact C-N 3.34Å; L77-S79 PolarHBondContact O-N 2.88Å; L77-S81 WeakPolarHBondContact O-CA 3.45Å; L77-S81 WeakPolarHBondContact O-CB 2.92Å; L77-S81 PolarHBondContact O-N 2.7Å; L77-S81 PolarHBondContact O-OG 2.95Å; L77-S81 VanDerWaalsContact O-OG 3.06Å |
| 78 | I | 68.4 | Low | 76.2 | Confident | 116 Ų | 116 | 105.6 Ų | 105.6 | 60% | 0.595 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.8 | -37.3 | 176.7 | -68.7 | 160.9 | 0 | 0 | 0 | 111.1 | R74 L75 S81 G82 | R74-I78 WeakPolarHBondContact O-CB 3.14Å; R74-I78 WeakPolarHBondContact O-CD1 3.15Å; R74-I78 WeakPolarHBondContact O-CG1 3.23Å; R74-I78 PolarHBondContact O-N 3.45Å; L75-I78 PolarHBondContact O-N 2.87Å; I78-S81 CarbonylContact O-C 3.54Å; I78-G82 PolarHBondContact O-N 3.47Å |
| 79 | S | 68.7 | Low | 75.9 | Confident | 99 Ų | 99 | 108 Ų | 108 | 69% | 0.692 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.3 | -44.2 | 178.2 | -180 | 0 | 0 | 0 | 0 | 111.8 | L75 G76 L77 | L75-S79 WeakPolarHBondContact O-CB 3.41Å; L75-S79 PolarHBondContact O-N 2.75Å; G76-S79 PolarHBondContact O-N 3.49Å; L77-S79 VanDerWaalsContact C-N 3.34Å; L77-S79 PolarHBondContact O-N 2.88Å |
| 80 | R | 62.6 | Low | 75.7 | Confident | 229 Ų | 229 | 110.6 Ų | 110.6 | 86% | 0.864 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -81.8 | -26.6 | 175.3 | -85.2 | 173.7 | 76.4 | 177.5 | 3.8 | 114.2 | G76 G82 | G76-R80 WeakPolarHBondContact O-CB 3.29Å; G76-R80 PolarHBondContact O-N 2.8Å; R80-G82 VanDerWaalsContact C-N 3.33Å |
| 81 | S | 58.5 | Low | 75.7 | Confident | 82 Ų | 82 | 113.7 Ų | 113.7 | 57% | 0.573 | 58% | 0.578 | S | S | * | * | trans | -95.2 | 12.6 | 175.4 | 104.5 | 0 | 0 | 0 | 0 | 112.4 | L77 I78 S83 | L77-S81 WeakPolarHBondContact O-CA 3.45Å; L77-S81 WeakPolarHBondContact O-CB 2.92Å; L77-S81 PolarHBondContact O-N 2.7Å; L77-S81 PolarHBondContact O-OG 2.95Å; L77-S81 VanDerWaalsContact O-OG 3.06Å; I78-S81 CarbonylContact O-C 3.54Å; S81-S83 WeakPolarHBondContact O-CA 3.44Å; S81-S83 PolarHBondContact O-N 3.06Å | ||
| 82 | G | 58 | Low | 75.9 | Confident | 47 Ų | 47 | 115.4 Ų | 115.4 | 49% | 0.485 | 59% | 0.585 | S | S | . | * | S | Bend | trans | -54.8 | 82.9 | 144.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | I78 R80 A84 | I78-G82 PolarHBondContact O-N 3.47Å; R80-G82 VanDerWaalsContact C-N 3.33Å; G82-A84 PolarHBondContact O-N 2.95Å |
| 83 | S | 63.8 | Low | 76.2 | Confident | 28 Ų | 28 | 116 Ų | 116 | 20% | 0.196 | 58% | 0.584 | C | S | . | * | trans | -43.2 | 112.7 | -158 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | S81 R85 F86 T87 | S81-S83 WeakPolarHBondContact O-CA 3.44Å; S81-S83 PolarHBondContact O-N 3.06Å; S83-R85 CarbonylContact O-C 3.56Å; S83-R85 PolarHBondContact O-N 3.47Å; S83-R85 VanDerWaalsContact OG-CB 3.28Å; S83-R85 WeakPolarHBondContact OG-CB 3.45Å; S83-R85 PolarHBondContact OG-N 3.25Å; S83-F86 WeakPolarHBondContact O-CA 3.35Å; S83-F86 PolarHBondContact O-N 3.32Å; S83-F86 PolarHBondContact OG-N 3.42Å; S83-T87 PolarHBondContact O-N 2.92Å; S83-T87 PolarHBondContact O-OG1 3.06Å | ||
| 84 | A | 64.5 | Low | 76.5 | Confident | 78 Ų | 78 | 110.9 Ų | 110.9 | 65% | 0.645 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -49 | -27.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | G82 L88 | G82-A84 PolarHBondContact O-N 2.95Å; A84-L88 WeakPolarHBondContact O-CB 3.48Å; A84-L88 PolarHBondContact O-N 2.64Å |
| 85 | R | 68.4 | Low | 77 | Confident | 194 Ų | 194 | 109.5 Ų | 109.5 | 73% | 0.732 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.8 | -48.5 | 170.6 | -46.8 | 177.5 | -179.5 | 148.7 | -0.6 | 112.5 | S83 L88 Y89 | S83-R85 CarbonylContact O-C 3.56Å; S83-R85 PolarHBondContact O-N 3.47Å; S83-R85 VanDerWaalsContact OG-CB 3.28Å; S83-R85 WeakPolarHBondContact OG-CB 3.45Å; S83-R85 PolarHBondContact OG-N 3.25Å; R85-L88 PolarHBondContact O-N 2.96Å; R85-Y89 HydrophobicContact CB-CD2 4.38Å; R85-Y89 HydrophobicContact CB-CE2 4.16Å; R85-Y89 WeakPolarHBondContact O-CB 3.2Å; R85-Y89 WeakPolarHBondContact O-CD2 3.23Å; R85-Y89 PolarHBondContact O-N 3.25Å |
| 86 | F | 74.6 | Confident | 77.5 | Confident | 151 Ų | 151 | 108.9 Ų | 108.9 | 66% | 0.662 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.6 | -44.8 | 175.3 | -74.1 | -60.4 | 0 | 0 | 0 | 111.6 | S83 L88 Y89 L90 | S83-F86 WeakPolarHBondContact O-CA 3.35Å; S83-F86 PolarHBondContact O-N 3.32Å; S83-F86 PolarHBondContact OG-N 3.42Å; F86-L88 VanDerWaalsContact C-N 3.32Å; F86-L88 PolarHBondContact O-N 3.34Å; F86-Y89 PolarHBondContact O-N 2.88Å; F86-L90 WeakPolarHBondContact O-CG 3.34Å; F86-L90 PolarHBondContact O-N 2.79Å |
| 87 | T | 76.8 | Confident | 78.1 | Confident | 78 Ų | 78 | 110.7 Ų | 110.7 | 48% | 0.479 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.7 | -41.8 | 175.3 | -51.1 | 0 | 0 | 0 | 0 | 111.2 | S83 L90 I91 | S83-T87 PolarHBondContact O-N 2.92Å; S83-T87 PolarHBondContact O-OG1 3.06Å; T87-L90 PolarHBondContact O-N 3.02Å; T87-I91 HydrophobicContact CG2-CD1 4.23Å; T87-I91 WeakPolarHBondContact O-CG1 3.5Å; T87-I91 PolarHBondContact O-N 3.32Å |
| 88 | L | 82.7 | Confident | 79.1 | Confident | 109 Ų | 109 | 112.2 Ų | 112.2 | 57% | 0.571 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.2 | -39 | 175.9 | -175.2 | 126.6 | 0 | 0 | 0 | 112.7 | A84 R85 F86 L90 I91 L92 | A84-L88 WeakPolarHBondContact O-CB 3.48Å; A84-L88 PolarHBondContact O-N 2.64Å; R85-L88 PolarHBondContact O-N 2.96Å; F86-L88 VanDerWaalsContact C-N 3.32Å; F86-L88 PolarHBondContact O-N 3.34Å; L88-L90 VanDerWaalsContact C-N 3.35Å; L88-I91 PolarHBondContact O-N 3.07Å; L88-L92 WeakPolarHBondContact O-CB 3.32Å; L88-L92 PolarHBondContact O-N 3.28Å |
| 89 | Y | 87 | Confident | 80.2 | Confident | 150 Ų | 150 | 109.4 Ų | 109.4 | 59% | 0.588 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62 | -41.4 | 172.9 | -77.8 | -62.7 | 0 | 0 | 0 | 111.5 | R85 F86 L92 F93 | R85-Y89 HydrophobicContact CB-CD2 4.38Å; R85-Y89 HydrophobicContact CB-CE2 4.16Å; R85-Y89 WeakPolarHBondContact O-CB 3.2Å; R85-Y89 WeakPolarHBondContact O-CD2 3.23Å; R85-Y89 PolarHBondContact O-N 3.25Å; F86-Y89 PolarHBondContact O-N 2.88Å; Y89-L92 PolarHBondContact O-N 3.4Å; Y89-F93 WeakPolarHBondContact O-CB 3.46Å; Y89-F93 PolarHBondContact O-N 3.46Å |
| 90 | L | 86.8 | Confident | 81.3 | Confident | 124 Ų | 124 | 110 Ų | 110 | 65% | 0.649 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.9 | -40 | 175.5 | -69.8 | -169.4 | 0 | 0 | 0 | 112.3 | F86 T87 L88 S94 | F86-L90 WeakPolarHBondContact O-CG 3.34Å; F86-L90 PolarHBondContact O-N 2.79Å; T87-L90 PolarHBondContact O-N 3.02Å; L88-L90 VanDerWaalsContact C-N 3.35Å; L90-S94 WeakPolarHBondContact O-CB 3.43Å; L90-S94 PolarHBondContact O-N 2.79Å |
| 91 | I | 89.3 | Confident | 82.7 | Confident | 110 Ų | 110 | 104.9 Ų | 104.9 | 56% | 0.564 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.6 | -46.5 | 175.5 | -69 | 165.4 | 0 | 0 | 0 | 110.9 | T87 L88 S94 F95 | T87-I91 HydrophobicContact CG2-CD1 4.23Å; T87-I91 WeakPolarHBondContact O-CG1 3.5Å; T87-I91 PolarHBondContact O-N 3.32Å; L88-I91 PolarHBondContact O-N 3.07Å; I91-S94 WeakPolarHBondContact O-CB 3.21Å; I91-S94 PolarHBondContact O-N 3.27Å; I91-F95 PolarHBondContact O-N 3.44Å |
| 92 | L | 91.7 | Very high | 84.3 | Confident | 104 Ų | 104 | 107.3 Ų | 107.3 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 179.1 | -163 | 169.7 | 0 | 0 | 0 | 110.7 | L88 Y89 S94 F95 M96 | L88-L92 WeakPolarHBondContact O-CB 3.32Å; L88-L92 PolarHBondContact O-N 3.28Å; Y89-L92 PolarHBondContact O-N 3.4Å; L92-S94 PolarHBondContact O-N 2.89Å; L92-F95 PolarHBondContact O-N 3.24Å; L92-M96 WeakPolarHBondContact O-CB 2.94Å; L92-M96 PolarHBondContact O-N 2.94Å |
| 93 | F | 93.4 | Very high | 86 | Confident | 139 Ų | 139 | 112.6 Ų | 112.6 | 61% | 0.61 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -57.9 | -47.1 | 175.3 | 179.5 | -100.5 | 0 | 0 | 0 | 111.7 | Y89 F95 M96 V97 | Y89-F93 WeakPolarHBondContact O-CB 3.46Å; Y89-F93 PolarHBondContact O-N 3.46Å; F93-F95 PolarHBondContact O-N 2.86Å; F93-M96 PolarHBondContact O-N 3.35Å; F93-V97 HydrophobicContact CE1-CG2 4.21Å; F93-V97 HydrophobicContact CZ-CG2 4.19Å; F93-V97 WeakPolarHBondContact O-CG2 3.28Å; F93-V97 PolarHBondContact O-N 3.44Å; F93-V97 VanDerWaalsContact O-N 3.07Å |
| 94 | S | 91.8 | Very high | 87.3 | Confident | 55 Ų | 55 | 118.4 Ų | 118.4 | 39% | 0.385 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -58.2 | -47.2 | 175.3 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | L90 I91 L92 M96 V97 F98 | L90-S94 WeakPolarHBondContact O-CB 3.43Å; L90-S94 PolarHBondContact O-N 2.79Å; I91-S94 WeakPolarHBondContact O-CB 3.21Å; I91-S94 PolarHBondContact O-N 3.27Å; L92-S94 PolarHBondContact O-N 2.89Å; S94-M96 VanDerWaalsContact C-N 3.33Å; S94-M96 PolarHBondContact O-N 3.03Å; S94-V97 PolarHBondContact O-N 3.27Å; S94-F98 WeakPolarHBondContact O-CD2 3.41Å; S94-F98 PolarHBondContact O-N 2.93Å |
| 95 | F | 94 | Very high | 88.5 | Confident | 145 Ų | 145 | 120.8 Ų | 120.8 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.8 | -40.8 | 178.6 | -160 | -97.7 | 0 | 0 | 0 | 112.3 | I91 L92 F93 V97 F98 V99 | I91-F95 PolarHBondContact O-N 3.44Å; L92-F95 PolarHBondContact O-N 3.24Å; F93-F95 PolarHBondContact O-N 2.86Å; F95-V97 PolarHBondContact O-N 3.5Å; F95-F98 PolarHBondContact O-N 3.41Å; F95-V99 HydrophobicContact CD1-CG2 3.93Å; F95-V99 HydrophobicContact CE1-CG2 3.79Å; F95-V99 VanDerWaalsContact O-CG2 3.3Å; F95-V99 WeakPolarHBondContact O-CG2 3.49Å; F95-V99 PolarHBondContact O-N 2.9Å |
| 96 | M | 93.4 | Very high | 89.5 | Confident | 97 Ų | 97 | 120.5 Ų | 120.5 | 48% | 0.478 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62 | -43.1 | 177.4 | -163.2 | -79.2 | 177.7 | 0 | 0 | 111.5 | L92 F93 S94 V99 M100 | L92-M96 WeakPolarHBondContact O-CB 2.94Å; L92-M96 PolarHBondContact O-N 2.94Å; F93-M96 PolarHBondContact O-N 3.35Å; S94-M96 VanDerWaalsContact C-N 3.33Å; S94-M96 PolarHBondContact O-N 3.03Å; M96-V99 PolarHBondContact O-N 3.21Å; M96-M100 HydrophobicContact CE-CE 3.51Å; M96-M100 HydrophobicContact CE-CG 3.93Å; M96-M100 PolarHBondContact O-N 2.9Å; M96-M100 HydrophobicContact SD-CG 3.8Å |
| 97 | V | 93.2 | Very high | 89.5 | Confident | 72 Ų | 72 | 126.2 Ų | 126.2 | 44% | 0.436 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.6 | -44.1 | 174.8 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | F93 S94 F95 V99 M100 M101 | F93-V97 HydrophobicContact CE1-CG2 4.21Å; F93-V97 HydrophobicContact CZ-CG2 4.19Å; F93-V97 WeakPolarHBondContact O-CG2 3.28Å; F93-V97 PolarHBondContact O-N 3.44Å; F93-V97 VanDerWaalsContact O-N 3.07Å; S94-V97 PolarHBondContact O-N 3.27Å; F95-V97 PolarHBondContact O-N 3.5Å; V97-V99 VanDerWaalsContact C-N 3.34Å; V97-V99 PolarHBondContact O-N 3.49Å; V97-M100 PolarHBondContact O-N 3.4Å; V97-M101 WeakPolarHBondContact O-CB 3.45Å; V97-M101 PolarHBondContact O-N 3.43Å |
| 98 | F | 93.7 | Very high | 90.2 | Very high | 150 Ų | 150 | 128.7 Ų | 128.7 | 66% | 0.658 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60 | -42.9 | 175.5 | -93.5 | -76.9 | 0 | 0 | 0 | 112.4 | S94 F95 M101 Y102 | S94-F98 WeakPolarHBondContact O-CD2 3.41Å; S94-F98 PolarHBondContact O-N 2.93Å; F95-F98 PolarHBondContact O-N 3.41Å; F98-M101 PolarHBondContact O-N 2.9Å; F98-Y102 WeakPolarHBondContact O-CB 3.03Å; F98-Y102 PolarHBondContact O-N 2.93Å |
| 99 | V | 91.9 | Very high | 90.5 | Very high | 57 Ų | 57 | 129.7 Ų | 129.7 | 35% | 0.345 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.5 | -47.2 | 176.8 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | F95 M96 V97 M101 Y102 Y103 | F95-V99 HydrophobicContact CD1-CG2 3.93Å; F95-V99 HydrophobicContact CE1-CG2 3.79Å; F95-V99 VanDerWaalsContact O-CG2 3.3Å; F95-V99 WeakPolarHBondContact O-CG2 3.49Å; F95-V99 PolarHBondContact O-N 2.9Å; M96-V99 PolarHBondContact O-N 3.21Å; V97-V99 VanDerWaalsContact C-N 3.34Å; V97-V99 PolarHBondContact O-N 3.49Å; V99-M101 VanDerWaalsContact C-N 3.31Å; V99-M101 PolarHBondContact O-N 3.33Å; V99-Y102 PolarHBondContact O-N 3.45Å; V99-Y103 HydrophobicContact CG1-CD2 3.59Å; V99-Y103 HydrophobicContact CG1-CE2 3.63Å; V99-Y103 VanDerWaalsContact O-CD2 3.31Å; V99-Y103 WeakPolarHBondContact O-CD2 3.31Å; V99-Y103 PolarHBondContact O-N 2.92Å |
| 100 | M | 91.1 | Very high | 90.7 | Very high | 112 Ų | 112 | 128.6 Ų | 128.6 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.6 | -44.3 | 176.1 | -83.8 | -67.7 | 172.7 | 0 | 0 | 111.9 | M96 V97 Y103 M104 | M96-M100 HydrophobicContact CE-CE 3.51Å; M96-M100 HydrophobicContact CE-CG 3.93Å; M96-M100 PolarHBondContact O-N 2.9Å; M96-M100 HydrophobicContact SD-CG 3.8Å; V97-M100 PolarHBondContact O-N 3.4Å; M100-Y103 PolarHBondContact O-N 3.3Å; M100-M104 WeakPolarHBondContact O-CB 3.3Å; M100-M104 PolarHBondContact O-N 3.24Å |
| 101 | M | 91.4 | Very high | 91 | Very high | 121 Ų | 121 | 128.8 Ų | 128.8 | 60% | 0.596 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.6 | -42.8 | 176.5 | -170.4 | 154.9 | -177.8 | 0 | 0 | 112 | V97 F98 V99 Y103 M104 L105 | V97-M101 WeakPolarHBondContact O-CB 3.45Å; V97-M101 PolarHBondContact O-N 3.43Å; F98-M101 PolarHBondContact O-N 2.9Å; V99-M101 VanDerWaalsContact C-N 3.31Å; V99-M101 PolarHBondContact O-N 3.33Å; M101-Y103 PolarHBondContact O-N 3.49Å; M101-M104 PolarHBondContact O-N 2.92Å; M101-L105 HydrophobicContact CE-CD1 3.91Å; M101-L105 HydrophobicContact CG-CD1 3.53Å; M101-L105 VanDerWaalsContact O-CD1 3.23Å; M101-L105 WeakPolarHBondContact O-CD1 3.37Å; M101-L105 PolarHBondContact O-N 2.94Å |
| 102 | Y | 93.5 | Very high | 91.1 | Very high | 133 Ų | 133 | 130 Ų | 130 | 52% | 0.522 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.5 | -43.6 | 175.6 | 179.8 | -96.5 | 0 | 0 | 0 | 112.4 | F98 V99 M104 L105 R106 | F98-Y102 WeakPolarHBondContact O-CB 3.03Å; F98-Y102 PolarHBondContact O-N 2.93Å; V99-Y102 PolarHBondContact O-N 3.45Å; Y102-M104 VanDerWaalsContact C-N 3.34Å; Y102-M104 PolarHBondContact O-N 2.88Å; Y102-L105 PolarHBondContact O-N 2.97Å; Y102-R106 VanDerWaalsContact O-CB 3.24Å; Y102-R106 WeakPolarHBondContact O-CB 3.24Å; Y102-R106 PolarHBondContact O-N 2.98Å; Y102-R106 PolarHBondContact OH-NH1 3.37Å |
| 103 | Y | 93.1 | Very high | 91 | Very high | 158 Ų | 158 | 131.7 Ų | 131.7 | 62% | 0.62 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.2 | -38.3 | 175.4 | -88.8 | -78.1 | 0 | 0 | 0 | 112 | V99 M100 M101 R107 | V99-Y103 HydrophobicContact CG1-CD2 3.59Å; V99-Y103 HydrophobicContact CG1-CE2 3.63Å; V99-Y103 VanDerWaalsContact O-CD2 3.31Å; V99-Y103 WeakPolarHBondContact O-CD2 3.31Å; V99-Y103 PolarHBondContact O-N 2.92Å; M100-Y103 PolarHBondContact O-N 3.3Å; M101-Y103 PolarHBondContact O-N 3.49Å; Y103-R107 WeakPolarHBondContact O-CB 3.16Å; Y103-R107 PolarHBondContact O-N 2.9Å |
| 104 | M | 91.4 | Very high | 90.9 | Very high | 150 Ų | 150 | 131.2 Ų | 131.2 | 74% | 0.739 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.4 | -31 | 179 | -153.7 | -163.1 | 104.9 | 0 | 0 | 113.1 | M100 M101 Y102 | M100-M104 WeakPolarHBondContact O-CB 3.3Å; M100-M104 PolarHBondContact O-N 3.24Å; M101-M104 PolarHBondContact O-N 2.92Å; Y102-M104 VanDerWaalsContact C-N 3.34Å; Y102-M104 PolarHBondContact O-N 2.88Å |
| 105 | L | 90.1 | Very high | 90.8 | Very high | 128 Ų | 128 | 137.1 Ų | 137.1 | 67% | 0.67 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -80.1 | -28.4 | 173.7 | -91.2 | 109.6 | 0 | 0 | 0 | 113.3 | M101 Y102 | M101-L105 HydrophobicContact CE-CD1 3.91Å; M101-L105 HydrophobicContact CG-CD1 3.53Å; M101-L105 VanDerWaalsContact O-CD1 3.23Å; M101-L105 WeakPolarHBondContact O-CD1 3.37Å; M101-L105 PolarHBondContact O-N 2.94Å; Y102-L105 PolarHBondContact O-N 2.97Å |
| 106 | R | 89.7 | Confident | 90.5 | Very high | 188 Ų | 188 | 136.4 Ų | 136.4 | 71% | 0.709 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -86.1 | -20.5 | 178.8 | -174.4 | 169.3 | 176 | 177.1 | -3.4 | 112.9 | Y102 | Y102-R106 VanDerWaalsContact O-CB 3.24Å; Y102-R106 WeakPolarHBondContact O-CB 3.24Å; Y102-R106 PolarHBondContact O-N 2.98Å; Y102-R106 PolarHBondContact OH-NH1 3.37Å |
| 107 | R | 74 | Confident | 90.3 | Very high | 271 Ų | 271 | 140 Ų | 140 | 100% | 1.023 | 63% | 0.625 | S | S | * | * | trans | -82.4 | 0 | 171.9 | -178.2 | 73.5 | 169.9 | 136.2 | 0.3 | 110.4 | Y103 | Y103-R107 WeakPolarHBondContact O-CB 3.16Å; Y103-R107 PolarHBondContact O-N 2.9Å |
Retrieved 107 of 107 residues in 195.4 ms
(Link to these results)