| 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 | 60.5 | Low | 73.1 | Confident | 202 Ų | 202 | 114.2 Ų | 114.2 | 100% | 0.995 | 60% | 0.604 | S | S | * | * | 0 | -21.9 | 0 | -141.1 | -175.2 | -162.9 | 0 | 0 | 113.2 | |||||
| 2 | L | 59.6 | Low | 74.4 | Confident | 131 Ų | 131 | 115.2 Ų | 115.2 | 69% | 0.686 | 61% | 0.605 | S | S | * | * | trans | -72.3 | -46.4 | 178.4 | -154.8 | 71.2 | 0 | 0 | 0 | 112.6 | L4 K5 | L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.19Å; L2-K5 PolarHBondContact O-N 3.13Å; L2-K5 VanDerWaalsContact O-N 3.08Å | ||
| 3 | H | 65.3 | Low | 75.7 | Confident | 142 Ų | 142 | 112.2 Ų | 112.2 | 66% | 0.657 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -57.8 | -36.4 | -178.2 | -62.2 | -53.1 | 0 | 0 | 0 | 115.3 | K5 D6 D7 | H3-K5 PolarHBondContact O-N 3.12Å; H3-D6 PolarHBondContact O-N 3.03Å; H3-D7 VanDerWaalsContact O-CG 3.31Å; H3-D7 PolarHBondContact O-N 3.1Å |
| 4 | L | 64.9 | Low | 77 | Confident | 129 Ų | 129 | 109.5 Ų | 109.5 | 68% | 0.675 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.4 | -25.6 | 178.6 | -77.1 | 158.6 | 0 | 0 | 0 | 113.6 | L2 A8 | L2-L4 VanDerWaalsContact C-N 3.33Å; L2-L4 PolarHBondContact O-N 3.19Å; L4-A8 WeakPolarHBondContact O-CB 3.28Å; L4-A8 PolarHBondContact O-N 3.29Å |
| 5 | K | 68.4 | Low | 78.2 | Confident | 154 Ų | 154 | 111 Ų | 111 | 67% | 0.67 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -81.6 | -35.2 | 178.4 | -67.9 | -172.5 | 177.5 | -176.1 | 0 | 111.8 | L2 H3 A9 | L2-K5 PolarHBondContact O-N 3.13Å; L2-K5 VanDerWaalsContact O-N 3.08Å; H3-K5 PolarHBondContact O-N 3.12Å; K5-A9 PolarHBondContact O-N 2.95Å |
| 6 | D | 72.1 | Confident | 79.2 | Confident | 87 Ų | 87 | 109.5 Ų | 109.5 | 47% | 0.465 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.7 | -45.6 | 178.4 | -60.2 | -26.1 | 0 | 0 | 0 | 109.6 | H3 A8 A9 D10 | H3-D6 PolarHBondContact O-N 3.03Å; D6-A8 VanDerWaalsContact C-N 3.31Å; D6-A8 PolarHBondContact O-N 3.48Å; D6-A9 WeakPolarHBondContact O-CB 3.42Å; D6-A9 PolarHBondContact O-N 3.11Å; D6-D10 PolarHBondContact O-N 3.43Å |
| 7 | D | 75.2 | Confident | 80.2 | Confident | 93 Ų | 93 | 107.8 Ų | 107.8 | 50% | 0.497 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -57.4 | -43.2 | 175.8 | -63.5 | -22.1 | 0 | 0 | 0 | 111.7 | H3 A9 D10 D11 | H3-D7 VanDerWaalsContact O-CG 3.31Å; H3-D7 PolarHBondContact O-N 3.1Å; D7-A9 VanDerWaalsContact C-N 3.32Å; D7-A9 PolarHBondContact O-N 2.77Å; D7-D10 PolarHBondContact O-N 3.12Å; D7-D11 WeakPolarHBondContact O-CB 3.28Å; D7-D11 PolarHBondContact O-N 3.19Å |
| 8 | A | 80.6 | Confident | 81.1 | Confident | 49 Ų | 49 | 106.3 Ų | 106.3 | 41% | 0.405 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.1 | -31.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L4 D6 M12 | L4-A8 WeakPolarHBondContact O-CB 3.28Å; L4-A8 PolarHBondContact O-N 3.29Å; D6-A8 VanDerWaalsContact C-N 3.31Å; D6-A8 PolarHBondContact O-N 3.48Å; A8-M12 WeakPolarHBondContact O-CB 3.38Å; A8-M12 VanDerWaalsContact O-CG 3.24Å; A8-M12 WeakPolarHBondContact O-CG 3.42Å; A8-M12 PolarHBondContact O-N 3.17Å; A8-M12 VanDerWaalsContact O-N 3.12Å |
| 9 | A | 82.2 | Confident | 81.9 | Confident | 52 Ų | 52 | 103.9 Ų | 103.9 | 43% | 0.43 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.8 | -38.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K5 D6 D7 M12 T13 | K5-A9 PolarHBondContact O-N 2.95Å; D6-A9 WeakPolarHBondContact O-CB 3.42Å; D6-A9 PolarHBondContact O-N 3.11Å; D7-A9 VanDerWaalsContact C-N 3.32Å; D7-A9 PolarHBondContact O-N 2.77Å; A9-M12 PolarHBondContact O-N 3.1Å; A9-T13 WeakPolarHBondContact O-CB 3.45Å; A9-T13 PolarHBondContact O-N 3.16Å; A9-T13 PolarHBondContact O-OG1 2.67Å |
| 10 | D | 86.3 | Confident | 82.7 | Confident | 105 Ų | 105 | 105.8 Ų | 105.8 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.6 | -41.1 | 175.2 | -75.2 | -14.1 | 0 | 0 | 0 | 111.5 | D6 D7 T13 T14 | D6-D10 PolarHBondContact O-N 3.43Å; D7-D10 PolarHBondContact O-N 3.12Å; D10-T13 PolarHBondContact O-N 3.22Å; D10-T14 WeakPolarHBondContact O-CB 3.47Å; D10-T14 PolarHBondContact O-N 3.44Å; D10-T14 PolarHBondContact O-OG1 3.36Å |
| 11 | D | 88.8 | Confident | 83.4 | Confident | 112 Ų | 112 | 107 Ų | 107 | 60% | 0.599 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.5 | -44.4 | 175 | -79 | -14.9 | 0 | 0 | 0 | 112 | D7 T14 F15 | D7-D11 WeakPolarHBondContact O-CB 3.28Å; D7-D11 PolarHBondContact O-N 3.19Å; D11-T14 PolarHBondContact O-N 2.86Å; D11-F15 WeakPolarHBondContact O-CB 3.34Å; D11-F15 PolarHBondContact O-N 3.29Å |
| 12 | M | 89.5 | Confident | 85.1 | Confident | 126 Ų | 126 | 101.9 Ų | 101.9 | 62% | 0.621 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 177.4 | -74.3 | -67.8 | 154.7 | 0 | 0 | 112 | A8 A9 T14 F15 D16 | A8-M12 WeakPolarHBondContact O-CB 3.38Å; A8-M12 VanDerWaalsContact O-CG 3.24Å; A8-M12 WeakPolarHBondContact O-CG 3.42Å; A8-M12 PolarHBondContact O-N 3.17Å; A8-M12 VanDerWaalsContact O-N 3.12Å; A9-M12 PolarHBondContact O-N 3.1Å; M12-T14 VanDerWaalsContact C-N 3.3Å; M12-T14 PolarHBondContact O-N 3.26Å; M12-F15 PolarHBondContact O-N 3.4Å; M12-D16 PolarHBondContact O-N 3.28Å |
| 13 | T | 91.3 | Very high | 86.9 | Confident | 77 Ų | 77 | 100.7 Ų | 100.7 | 47% | 0.472 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | A9 D10 N17 | A9-T13 WeakPolarHBondContact O-CB 3.45Å; A9-T13 PolarHBondContact O-N 3.16Å; A9-T13 PolarHBondContact O-OG1 2.67Å; D10-T13 PolarHBondContact O-N 3.22Å; T13-N17 WeakPolarHBondContact O-CB 3.41Å; T13-N17 PolarHBondContact O-N 3.39Å; T13-N17 VanDerWaalsContact O-N 3.07Å; T13-N17 PolarHBondContact O-ND2 3.22Å |
| 14 | T | 93.2 | Very high | 88.5 | Confident | 74 Ų | 74 | 100.2 Ų | 100.2 | 45% | 0.454 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -44.8 | 176.8 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | D10 D11 M12 N17 I18 | D10-T14 WeakPolarHBondContact O-CB 3.47Å; D10-T14 PolarHBondContact O-N 3.44Å; D10-T14 PolarHBondContact O-OG1 3.36Å; D11-T14 PolarHBondContact O-N 2.86Å; M12-T14 VanDerWaalsContact C-N 3.3Å; M12-T14 PolarHBondContact O-N 3.26Å; T14-N17 PolarHBondContact O-N 2.99Å; T14-I18 HydrophobicContact CG2-CD1 3.92Å; T14-I18 WeakPolarHBondContact O-CG1 3.47Å; T14-I18 PolarHBondContact O-N 3.43Å |
| 15 | F | 94.5 | Very high | 90 | Very high | 132 Ų | 132 | 99.3 Ų | 99.3 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.9 | -47.4 | 176.3 | 179.3 | -95.3 | 0 | 0 | 0 | 112.2 | D11 M12 N17 I18 S19 | D11-F15 WeakPolarHBondContact O-CB 3.34Å; D11-F15 PolarHBondContact O-N 3.29Å; M12-F15 PolarHBondContact O-N 3.4Å; F15-N17 VanDerWaalsContact C-N 3.3Å; F15-N17 PolarHBondContact O-N 3.34Å; F15-I18 PolarHBondContact O-N 3.4Å; F15-S19 VanDerWaalsContact O-CB 3.32Å; F15-S19 WeakPolarHBondContact O-CB 3.39Å; F15-S19 PolarHBondContact O-N 2.99Å |
| 16 | D | 94.9 | Very high | 91.4 | Very high | 87 Ų | 87 | 95.7 Ų | 95.7 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 178.3 | -81.5 | -11 | 0 | 0 | 0 | 112.1 | M12 S19 K20 | M12-D16 PolarHBondContact O-N 3.28Å; D16-S19 PolarHBondContact O-N 3.32Å; D16-K20 VanDerWaalsContact O-CG 3.31Å; D16-K20 WeakPolarHBondContact O-CG 3.41Å; D16-K20 PolarHBondContact O-N 3.36Å |
| 17 | N | 95.6 | Very high | 92.6 | Very high | 81 Ų | 81 | 94.9 Ų | 94.9 | 43% | 0.433 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.1 | -45.2 | 176.7 | -73.9 | -25.9 | 0 | 0 | 0 | 111.9 | T13 T14 F15 S19 K20 Q21 | T13-N17 WeakPolarHBondContact O-CB 3.41Å; T13-N17 PolarHBondContact O-N 3.39Å; T13-N17 VanDerWaalsContact O-N 3.07Å; T13-N17 PolarHBondContact O-ND2 3.22Å; T14-N17 PolarHBondContact O-N 2.99Å; F15-N17 VanDerWaalsContact C-N 3.3Å; F15-N17 PolarHBondContact O-N 3.34Å; N17-S19 VanDerWaalsContact C-N 3.35Å; N17-K20 PolarHBondContact O-N 3.3Å; N17-Q21 WeakPolarHBondContact O-CG 3.39Å; N17-Q21 PolarHBondContact O-N 2.89Å |
| 18 | I | 96.4 | Very high | 93.7 | Very high | 81 Ų | 81 | 94.5 Ų | 94.5 | 42% | 0.415 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 175.7 | -69.2 | 169 | 0 | 0 | 0 | 110.5 | T14 F15 K20 Q21 N22 | T14-I18 HydrophobicContact CG2-CD1 3.92Å; T14-I18 WeakPolarHBondContact O-CG1 3.47Å; T14-I18 PolarHBondContact O-N 3.43Å; F15-I18 PolarHBondContact O-N 3.4Å; I18-K20 PolarHBondContact O-N 3.34Å; I18-Q21 PolarHBondContact O-N 3.07Å; I18-N22 WeakPolarHBondContact O-CB 3.49Å; I18-N22 VanDerWaalsContact O-CG 3.29Å; I18-N22 PolarHBondContact O-N 3.19Å |
| 19 | S | 96.7 | Very high | 94.5 | Very high | 60 Ų | 60 | 97.3 Ų | 97.3 | 42% | 0.42 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 177.8 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | F15 D16 N17 Q21 N22 Q23 | F15-S19 VanDerWaalsContact O-CB 3.32Å; F15-S19 WeakPolarHBondContact O-CB 3.39Å; F15-S19 PolarHBondContact O-N 2.99Å; D16-S19 PolarHBondContact O-N 3.32Å; N17-S19 VanDerWaalsContact C-N 3.35Å; S19-Q21 PolarHBondContact O-N 3.1Å; S19-N22 PolarHBondContact O-N 3.02Å; S19-Q23 PolarHBondContact O-N 3.07Å |
| 20 | K | 97.2 | Very high | 95.3 | Very high | 141 Ų | 141 | 99.2 Ų | 99.2 | 61% | 0.613 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 174.5 | -73.7 | 169.1 | -176.1 | 167.3 | 0 | 112.5 | D16 N17 I18 Q23 K24 | D16-K20 VanDerWaalsContact O-CG 3.31Å; D16-K20 WeakPolarHBondContact O-CG 3.41Å; D16-K20 PolarHBondContact O-N 3.36Å; N17-K20 PolarHBondContact O-N 3.3Å; I18-K20 PolarHBondContact O-N 3.34Å; K20-Q23 PolarHBondContact O-N 3.4Å; K20-K24 PolarHBondContact O-N 3.29Å |
| 21 | Q | 97.7 | Very high | 95.8 | Very high | 133 Ų | 133 | 100.2 Ų | 100.2 | 62% | 0.621 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.3 | -43 | 176.7 | -73.9 | 176.8 | -7.6 | 0 | 0 | 111.7 | N17 I18 S19 K24 L25 | N17-Q21 WeakPolarHBondContact O-CG 3.39Å; N17-Q21 PolarHBondContact O-N 2.89Å; I18-Q21 PolarHBondContact O-N 3.07Å; S19-Q21 PolarHBondContact O-N 3.1Å; Q21-K24 PolarHBondContact O-N 2.95Å; Q21-L25 PolarHBondContact O-N 3.42Å |
| 22 | N | 97.2 | Very high | 96.3 | Very high | 94 Ų | 94 | 100.1 Ų | 100.1 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 176.8 | -73.9 | -15.6 | 0 | 0 | 0 | 111.7 | I18 S19 K24 L25 F26 | I18-N22 WeakPolarHBondContact O-CB 3.49Å; I18-N22 VanDerWaalsContact O-CG 3.29Å; I18-N22 PolarHBondContact O-N 3.19Å; S19-N22 PolarHBondContact O-N 3.02Å; N22-K24 VanDerWaalsContact C-N 3.34Å; N22-K24 PolarHBondContact O-N 3.32Å; N22-L25 PolarHBondContact O-N 2.95Å; N22-F26 WeakPolarHBondContact O-CB 3.43Å; N22-F26 PolarHBondContact O-N 3.33Å |
| 23 | Q | 97.1 | Very high | 96.7 | Very high | 106 Ų | 106 | 97.4 Ų | 97.4 | 50% | 0.495 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 175.7 | -173.2 | 62.1 | 56 | 0 | 0 | 111.7 | S19 K20 F26 N27 | S19-Q23 PolarHBondContact O-N 3.07Å; K20-Q23 PolarHBondContact O-N 3.4Å; Q23-F26 PolarHBondContact O-N 2.9Å; Q23-N27 PolarHBondContact NE2-OD1 3.36Å; Q23-N27 VanDerWaalsContact O-CG 3.24Å; Q23-N27 PolarHBondContact O-N 3.34Å; Q23-N27 PolarHBondContact O-OD1 2.99Å |
| 24 | K | 98 | Very high | 97 | Very high | 131 Ų | 131 | 100 Ų | 100 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.1 | -46.7 | 175.3 | -179.1 | 178 | 170.9 | -178.2 | 0 | 111.3 | K20 Q21 N22 F26 N27 E28 | K20-K24 PolarHBondContact O-N 3.29Å; Q21-K24 PolarHBondContact O-N 2.95Å; N22-K24 VanDerWaalsContact C-N 3.34Å; N22-K24 PolarHBondContact O-N 3.32Å; K24-F26 VanDerWaalsContact C-N 3.3Å; K24-F26 PolarHBondContact O-N 3.43Å; K24-N27 PolarHBondContact O-N 3.28Å; K24-E28 WeakPolarHBondContact CE-OE1 3.28Å; K24-E28 IonicContact NZ-OE1 2.72Å; K24-E28 WeakPolarHBondContact O-CG 3.42Å; K24-E28 PolarHBondContact O-N 2.93Å |
| 25 | L | 98 | Very high | 97.2 | Very high | 110 Ų | 110 | 99.4 Ų | 99.4 | 58% | 0.576 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.8 | -39 | 177.7 | -178 | 62.1 | 0 | 0 | 0 | 112.1 | Q21 N22 E28 Y29 | Q21-L25 PolarHBondContact O-N 3.42Å; N22-L25 PolarHBondContact O-N 2.95Å; L25-E28 PolarHBondContact O-N 2.93Å; L25-Y29 WeakPolarHBondContact O-CB 3.5Å; L25-Y29 PolarHBondContact O-N 3.2Å |
| 26 | F | 97.1 | Very high | 97.3 | Very high | 79 Ų | 79 | 96.8 Ų | 96.8 | 35% | 0.346 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 176.2 | -175.1 | -95 | 0 | 0 | 0 | 111.7 | N22 Q23 K24 E28 Y29 E30 | N22-F26 WeakPolarHBondContact O-CB 3.43Å; N22-F26 PolarHBondContact O-N 3.33Å; Q23-F26 PolarHBondContact O-N 2.9Å; K24-F26 VanDerWaalsContact C-N 3.3Å; K24-F26 PolarHBondContact O-N 3.43Å; F26-E28 PolarHBondContact O-N 3.32Å; F26-Y29 WeakPolarHBondContact O-CB 3.49Å; F26-Y29 PolarHBondContact O-N 3.35Å; F26-E30 HydrophobicContact CD1-CG 4.31Å; F26-E30 HydrophobicContact CE1-CG 3.87Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.39Å; F26-E30 WeakPolarHBondContact CE1-OE2 3.46Å; F26-E30 HydrophobicContact CZ-CG 4.13Å; F26-E30 PolarHBondContact O-N 3.23Å |
| 27 | N | 97.4 | Very high | 97.4 | Very high | 69 Ų | 69 | 98.2 Ų | 98.2 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 176.6 | -64 | -2.3 | 0 | 0 | 0 | 111.5 | Q23 K24 Y29 E30 E31 | Q23-N27 PolarHBondContact NE2-OD1 3.36Å; Q23-N27 VanDerWaalsContact O-CG 3.24Å; Q23-N27 PolarHBondContact O-N 3.34Å; Q23-N27 PolarHBondContact O-OD1 2.99Å; K24-N27 PolarHBondContact O-N 3.28Å; N27-Y29 VanDerWaalsContact C-N 3.29Å; N27-Y29 PolarHBondContact O-N 2.93Å; N27-E30 PolarHBondContact O-N 3.49Å; N27-E31 WeakPolarHBondContact O-CG 3.31Å; N27-E31 PolarHBondContact O-N 2.93Å |
| 28 | E | 98.1 | Very high | 97.5 | Very high | 86 Ų | 86 | 100 Ų | 100 | 40% | 0.402 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 175.9 | -72.9 | 176.4 | -166 | 0 | 0 | 111.9 | K24 L25 F26 L32 | K24-E28 WeakPolarHBondContact CE-OE1 3.28Å; K24-E28 IonicContact NZ-OE1 2.72Å; K24-E28 WeakPolarHBondContact O-CG 3.42Å; K24-E28 PolarHBondContact O-N 2.93Å; L25-E28 PolarHBondContact O-N 2.93Å; F26-E28 PolarHBondContact O-N 3.32Å; E28-L32 WeakPolarHBondContact O-CB 3.48Å; E28-L32 WeakPolarHBondContact O-CG 3.31Å; E28-L32 PolarHBondContact O-N 3Å |
| 29 | Y | 97.8 | Very high | 97.6 | Very high | 108 Ų | 108 | 102.6 Ų | 102.6 | 42% | 0.424 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 174.7 | 170.9 | -95.3 | 0 | 0 | 0 | 112.1 | L25 F26 N27 L32 Q33 | L25-Y29 WeakPolarHBondContact O-CB 3.5Å; L25-Y29 PolarHBondContact O-N 3.2Å; F26-Y29 WeakPolarHBondContact O-CB 3.49Å; F26-Y29 PolarHBondContact O-N 3.35Å; N27-Y29 VanDerWaalsContact C-N 3.29Å; N27-Y29 PolarHBondContact O-N 2.93Å; Y29-L32 PolarHBondContact O-N 2.95Å; Y29-Q33 HydrophobicContact CD1-CG 4.33Å; Y29-Q33 HydrophobicContact CE1-CG 3.84Å; Y29-Q33 HydrophobicContact CE2-CG 4.04Å; Y29-Q33 WeakPolarHBondContact O-CG 3.44Å; Y29-Q33 PolarHBondContact O-N 3.49Å; Y29-Q33 PolarHBondContact OH-NE2 2.89Å; Y29-Q33 VanDerWaalsContact OH-NE2 3.17Å |
| 30 | E | 97.8 | Very high | 97.6 | Very high | 91 Ų | 91 | 105.4 Ų | 105.4 | 43% | 0.425 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 177.4 | -71.8 | -168.2 | 134.4 | 0 | 0 | 112 | F26 N27 Q33 Q34 | F26-E30 HydrophobicContact CD1-CG 4.31Å; F26-E30 HydrophobicContact CE1-CG 3.87Å; F26-E30 WeakPolarHBondContact CE1-OE1 3.39Å; F26-E30 WeakPolarHBondContact CE1-OE2 3.46Å; F26-E30 HydrophobicContact CZ-CG 4.13Å; F26-E30 PolarHBondContact O-N 3.23Å; N27-E30 PolarHBondContact O-N 3.49Å; E30-Q33 PolarHBondContact O-N 3.47Å; E30-Q34 WeakPolarHBondContact O-CG 3.49Å; E30-Q34 PolarHBondContact O-N 3.43Å |
| 31 | E | 98 | Very high | 97.6 | Very high | 126 Ų | 126 | 101.3 Ų | 101.3 | 59% | 0.589 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 175.5 | -72.9 | -180 | -179.4 | 0 | 0 | 112.3 | N27 Q34 T35 | N27-E31 WeakPolarHBondContact O-CG 3.31Å; N27-E31 PolarHBondContact O-N 2.93Å; E31-Q34 PolarHBondContact O-N 3.28Å; E31-T35 WeakPolarHBondContact O-CB 3.5Å; E31-T35 PolarHBondContact O-N 2.94Å; E31-T35 PolarHBondContact O-OG1 3.43Å |
| 32 | L | 98.3 | Very high | 97.6 | Very high | 111 Ų | 111 | 98.4 Ų | 98.4 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.8 | -41.6 | 175.6 | -78.1 | 171.5 | 0 | 0 | 0 | 111.8 | E28 Y29 T35 I36 | E28-L32 WeakPolarHBondContact O-CB 3.48Å; E28-L32 WeakPolarHBondContact O-CG 3.31Å; E28-L32 PolarHBondContact O-N 3Å; Y29-L32 PolarHBondContact O-N 2.95Å; L32-T35 WeakPolarHBondContact O-CB 3.46Å; L32-T35 PolarHBondContact O-N 3.47Å; L32-I36 VanDerWaalsContact O-CG1 3.29Å; L32-I36 WeakPolarHBondContact O-CG1 3.36Å; L32-I36 PolarHBondContact O-N 3.01Å |
| 33 | Q | 98 | Very high | 97.7 | Very high | 69 Ų | 69 | 98.3 Ų | 98.3 | 32% | 0.322 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 175.9 | -78.4 | -68.6 | -17.5 | 0 | 0 | 111.8 | Y29 E30 T35 I36 Q37 | Y29-Q33 HydrophobicContact CD1-CG 4.33Å; Y29-Q33 HydrophobicContact CE1-CG 3.84Å; Y29-Q33 HydrophobicContact CE2-CG 4.04Å; Y29-Q33 WeakPolarHBondContact O-CG 3.44Å; Y29-Q33 PolarHBondContact O-N 3.49Å; Y29-Q33 PolarHBondContact OH-NE2 2.89Å; Y29-Q33 VanDerWaalsContact OH-NE2 3.17Å; E30-Q33 PolarHBondContact O-N 3.47Å; Q33-T35 VanDerWaalsContact C-N 3.32Å; Q33-T35 PolarHBondContact O-N 3.27Å; Q33-I36 PolarHBondContact O-N 3.35Å; Q33-Q37 WeakPolarHBondContact O-CG 3.29Å; Q33-Q37 PolarHBondContact O-N 3.09Å |
| 34 | Q | 97.3 | Very high | 97.7 | Very high | 130 Ų | 130 | 99.2 Ų | 99.2 | 61% | 0.607 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.2 | -40.7 | 175.6 | -69 | 175.5 | 22.6 | 0 | 0 | 111.8 | E30 E31 I36 Q37 L38 | E30-Q34 WeakPolarHBondContact O-CG 3.49Å; E30-Q34 PolarHBondContact O-N 3.43Å; E31-Q34 PolarHBondContact O-N 3.28Å; Q34-I36 VanDerWaalsContact C-N 3.34Å; Q34-I36 PolarHBondContact O-N 2.72Å; Q34-Q37 PolarHBondContact O-N 3.35Å; Q34-L38 PolarHBondContact O-N 2.98Å |
| 35 | T | 97.5 | Very high | 97.6 | Very high | 62 Ų | 62 | 96.3 Ų | 96.3 | 38% | 0.38 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 176.5 | -60.1 | 0 | 0 | 0 | 0 | 111.9 | E31 L32 Q33 L38 K39 | E31-T35 WeakPolarHBondContact O-CB 3.5Å; E31-T35 PolarHBondContact O-N 2.94Å; E31-T35 PolarHBondContact O-OG1 3.43Å; L32-T35 WeakPolarHBondContact O-CB 3.46Å; L32-T35 PolarHBondContact O-N 3.47Å; Q33-T35 VanDerWaalsContact C-N 3.32Å; Q33-T35 PolarHBondContact O-N 3.27Å; T35-L38 PolarHBondContact O-N 3.42Å; T35-K39 HydrophobicContact CG2-CD 4.35Å; T35-K39 WeakPolarHBondContact O-CG 3.47Å; T35-K39 PolarHBondContact O-N 3.26Å |
| 36 | I | 97 | Very high | 97.6 | Very high | 78 Ų | 78 | 95.8 Ų | 95.8 | 40% | 0.4 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 176 | -72.3 | 164.9 | 0 | 0 | 0 | 110 | L32 Q33 Q34 L38 K39 E40 | L32-I36 VanDerWaalsContact O-CG1 3.29Å; L32-I36 WeakPolarHBondContact O-CG1 3.36Å; L32-I36 PolarHBondContact O-N 3.01Å; Q33-I36 PolarHBondContact O-N 3.35Å; Q34-I36 VanDerWaalsContact C-N 3.34Å; Q34-I36 PolarHBondContact O-N 2.72Å; I36-L38 VanDerWaalsContact C-N 3.31Å; I36-L38 PolarHBondContact O-N 3Å; I36-K39 PolarHBondContact O-N 2.93Å; I36-K39 VanDerWaalsContact O-N 3.09Å; I36-E40 HydrophobicContact CG2-CG 4.31Å; I36-E40 WeakPolarHBondContact O-CG 3.46Å; I36-E40 PolarHBondContact O-N 3.06Å |
| 37 | Q | 97 | Very high | 97.6 | Very high | 117 Ų | 117 | 97.5 Ų | 97.5 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 179.4 | -70.6 | 175.3 | -3.6 | 0 | 0 | 112.3 | Q33 Q34 K39 E40 A41 | Q33-Q37 WeakPolarHBondContact O-CG 3.29Å; Q33-Q37 PolarHBondContact O-N 3.09Å; Q34-Q37 PolarHBondContact O-N 3.35Å; Q37-K39 PolarHBondContact O-N 3.49Å; Q37-E40 PolarHBondContact O-N 3.33Å; Q37-A41 PolarHBondContact O-N 3.17Å |
| 38 | L | 97.9 | Very high | 97.6 | Very high | 119 Ų | 119 | 98.8 Ų | 98.8 | 62% | 0.623 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.4 | -41.3 | 176.2 | -178.7 | 63.3 | 0 | 0 | 0 | 112.1 | Q34 T35 I36 A41 T42 | Q34-L38 PolarHBondContact O-N 2.98Å; T35-L38 PolarHBondContact O-N 3.42Å; I36-L38 VanDerWaalsContact C-N 3.31Å; I36-L38 PolarHBondContact O-N 3Å; L38-A41 PolarHBondContact O-N 3.3Å; L38-T42 PolarHBondContact O-N 3.36Å; L38-T42 PolarHBondContact O-OG1 3.05Å |
| 39 | K | 97.8 | Very high | 97.6 | Very high | 134 Ų | 134 | 99.7 Ų | 99.7 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67 | -40.3 | 176.7 | -75.1 | -179.5 | 178.1 | -173.5 | 0 | 111.9 | T35 I36 Q37 T42 I43 | T35-K39 HydrophobicContact CG2-CD 4.35Å; T35-K39 WeakPolarHBondContact O-CG 3.47Å; T35-K39 PolarHBondContact O-N 3.26Å; I36-K39 PolarHBondContact O-N 2.93Å; I36-K39 VanDerWaalsContact O-N 3.09Å; Q37-K39 PolarHBondContact O-N 3.49Å; K39-T42 PolarHBondContact O-N 3.27Å; K39-I43 VanDerWaalsContact O-CG1 3.31Å; K39-I43 WeakPolarHBondContact O-CG1 2.94Å; K39-I43 PolarHBondContact O-N 3.5Å |
| 40 | E | 98 | Very high | 97.6 | Very high | 120 Ų | 120 | 99.5 Ų | 99.5 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.7 | -44 | 175.2 | -72.6 | 177.7 | 157.3 | 0 | 0 | 111.5 | I36 Q37 T42 I43 K44 | I36-E40 HydrophobicContact CG2-CG 4.31Å; I36-E40 WeakPolarHBondContact O-CG 3.46Å; I36-E40 PolarHBondContact O-N 3.06Å; Q37-E40 PolarHBondContact O-N 3.33Å; E40-T42 VanDerWaalsContact C-N 3.33Å; E40-T42 PolarHBondContact O-N 3.18Å; E40-I43 PolarHBondContact O-N 3Å; E40-K44 PolarHBondContact O-N 2.93Å |
| 41 | A | 97.1 | Very high | 97.5 | Very high | 54 Ų | 54 | 100.2 Ų | 100.2 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q37 L38 K44 T45 | Q37-A41 PolarHBondContact O-N 3.17Å; L38-A41 PolarHBondContact O-N 3.3Å; A41-K44 WeakPolarHBondContact O-CB 3.41Å; A41-K44 PolarHBondContact O-N 3.08Å; A41-T45 PolarHBondContact O-N 3.36Å; A41-T45 VanDerWaalsContact O-N 3.08Å; A41-T45 PolarHBondContact O-OG1 3.01Å |
| 42 | T | 97.7 | Very high | 97.4 | Very high | 73 Ų | 73 | 100.2 Ų | 100.2 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 178 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | L38 K39 E40 K44 T45 L46 | L38-T42 PolarHBondContact O-N 3.36Å; L38-T42 PolarHBondContact O-OG1 3.05Å; K39-T42 PolarHBondContact O-N 3.27Å; E40-T42 VanDerWaalsContact C-N 3.33Å; E40-T42 PolarHBondContact O-N 3.18Å; T42-K44 VanDerWaalsContact C-N 3.29Å; T42-K44 PolarHBondContact O-N 3.11Å; T42-T45 PolarHBondContact O-N 2.84Å; T42-L46 HydrophobicContact CG2-CD1 4.2Å; T42-L46 WeakPolarHBondContact O-CG 3.37Å; T42-L46 PolarHBondContact O-N 3.09Å |
| 43 | I | 97.9 | Very high | 97.4 | Very high | 92 Ų | 92 | 100.4 Ų | 100.4 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 176.3 | -72.6 | 165.2 | 0 | 0 | 0 | 110.4 | K39 E40 L46 Q47 | K39-I43 VanDerWaalsContact O-CG1 3.31Å; K39-I43 WeakPolarHBondContact O-CG1 2.94Å; K39-I43 PolarHBondContact O-N 3.5Å; E40-I43 PolarHBondContact O-N 3Å; I43-L46 PolarHBondContact O-N 3.25Å; I43-Q47 HydrophobicContact CG2-CG 4.39Å; I43-Q47 WeakPolarHBondContact O-CB 3.4Å; I43-Q47 VanDerWaalsContact O-CG 3.29Å; I43-Q47 WeakPolarHBondContact O-CG 3.49Å; I43-Q47 PolarHBondContact O-N 3.28Å |
| 44 | K | 97.6 | Very high | 97.3 | Very high | 125 Ų | 125 | 99.4 Ų | 99.4 | 54% | 0.543 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 178.1 | -173.4 | -178.6 | 175.7 | -173.7 | 0 | 111.8 | E40 A41 T42 L46 Q47 E48 | E40-K44 PolarHBondContact O-N 2.93Å; A41-K44 WeakPolarHBondContact O-CB 3.41Å; A41-K44 PolarHBondContact O-N 3.08Å; T42-K44 VanDerWaalsContact C-N 3.29Å; T42-K44 PolarHBondContact O-N 3.11Å; K44-L46 PolarHBondContact O-N 3.29Å; K44-Q47 WeakPolarHBondContact O-CB 3.36Å; K44-Q47 PolarHBondContact O-N 3Å; K44-E48 VanDerWaalsContact CE-OE1 3.31Å; K44-E48 WeakPolarHBondContact CE-OE1 3.38Å; K44-E48 WeakPolarHBondContact O-CG 3.44Å; K44-E48 PolarHBondContact O-N 3.47Å |
| 45 | T | 96.9 | Very high | 97.2 | Very high | 70 Ų | 70 | 97.5 Ų | 97.5 | 43% | 0.429 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 175.8 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | A41 T42 Q47 E48 E49 | A41-T45 PolarHBondContact O-N 3.36Å; A41-T45 VanDerWaalsContact O-N 3.08Å; A41-T45 PolarHBondContact O-OG1 3.01Å; T42-T45 PolarHBondContact O-N 2.84Å; T45-Q47 VanDerWaalsContact C-N 3.3Å; T45-Q47 PolarHBondContact O-N 3.03Å; T45-E48 WeakPolarHBondContact O-CB 3.46Å; T45-E48 PolarHBondContact O-N 2.89Å; T45-E48 VanDerWaalsContact O-N 3.17Å; T45-E49 WeakPolarHBondContact O-CG 3.42Å; T45-E49 PolarHBondContact O-N 3.46Å |
| 46 | L | 97.6 | Very high | 97 | Very high | 98 Ų | 98 | 99 Ų | 99 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63 | -35.5 | 177.6 | -72.4 | 170.9 | 0 | 0 | 0 | 112.7 | T42 I43 K44 N50 | T42-L46 HydrophobicContact CG2-CD1 4.2Å; T42-L46 WeakPolarHBondContact O-CG 3.37Å; T42-L46 PolarHBondContact O-N 3.09Å; I43-L46 PolarHBondContact O-N 3.25Å; K44-L46 PolarHBondContact O-N 3.29Å; L46-N50 VanDerWaalsContact O-CB 3.28Å; L46-N50 WeakPolarHBondContact O-CB 3.29Å; L46-N50 PolarHBondContact O-N 2.78Å |
| 47 | Q | 97.9 | Very high | 96.9 | Very high | 115 Ų | 115 | 102.8 Ų | 102.8 | 54% | 0.537 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 174.2 | -75.3 | 172.8 | -19.2 | 0 | 0 | 111.5 | I43 K44 T45 N50 N51 | I43-Q47 HydrophobicContact CG2-CG 4.39Å; I43-Q47 WeakPolarHBondContact O-CB 3.4Å; I43-Q47 VanDerWaalsContact O-CG 3.29Å; I43-Q47 WeakPolarHBondContact O-CG 3.49Å; I43-Q47 PolarHBondContact O-N 3.28Å; K44-Q47 WeakPolarHBondContact O-CB 3.36Å; K44-Q47 PolarHBondContact O-N 3Å; T45-Q47 VanDerWaalsContact C-N 3.3Å; T45-Q47 PolarHBondContact O-N 3.03Å; Q47-N50 PolarHBondContact O-N 2.87Å; Q47-N51 WeakPolarHBondContact O-CB 3.42Å; Q47-N51 PolarHBondContact O-N 2.98Å; Q47-N51 PolarHBondContact O-ND2 3.43Å |
| 48 | E | 97.2 | Very high | 96.8 | Very high | 96 Ų | 96 | 102.3 Ų | 102.3 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 175.4 | -71.4 | 171.7 | -170.6 | 0 | 0 | 111.5 | K44 T45 N51 Q52 | K44-E48 VanDerWaalsContact CE-OE1 3.31Å; K44-E48 WeakPolarHBondContact CE-OE1 3.38Å; K44-E48 WeakPolarHBondContact O-CG 3.44Å; K44-E48 PolarHBondContact O-N 3.47Å; T45-E48 WeakPolarHBondContact O-CB 3.46Å; T45-E48 PolarHBondContact O-N 2.89Å; T45-E48 VanDerWaalsContact O-N 3.17Å; E48-N51 PolarHBondContact O-N 3.24Å; E48-Q52 WeakPolarHBondContact O-CG 3.31Å; E48-Q52 PolarHBondContact O-N 3.44Å |
| 49 | E | 97 | Very high | 96.5 | Very high | 106 Ų | 106 | 100.2 Ų | 100.2 | 50% | 0.495 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 175.5 | -71.9 | 175.9 | -177.7 | 0 | 0 | 112.2 | T45 N51 Q52 L53 | T45-E49 WeakPolarHBondContact O-CG 3.42Å; T45-E49 PolarHBondContact O-N 3.46Å; E49-N51 VanDerWaalsContact C-N 3.35Å; E49-N51 PolarHBondContact O-N 2.79Å; E49-Q52 PolarHBondContact O-N 3.38Å; E49-L53 PolarHBondContact O-N 3.33Å |
| 50 | N | 97.6 | Very high | 96.3 | Very high | 103 Ų | 103 | 98.7 Ų | 98.7 | 55% | 0.551 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.3 | -41.2 | 178 | -170.4 | 2.8 | 0 | 0 | 0 | 111.6 | L46 Q47 Q52 L53 S54 | L46-N50 VanDerWaalsContact O-CB 3.28Å; L46-N50 WeakPolarHBondContact O-CB 3.29Å; L46-N50 PolarHBondContact O-N 2.78Å; Q47-N50 PolarHBondContact O-N 2.87Å; N50-Q52 PolarHBondContact O-N 2.97Å; N50-L53 PolarHBondContact O-N 3.49Å; N50-S54 WeakPolarHBondContact O-CB 3.37Å; N50-S54 PolarHBondContact O-N 2.87Å |
| 51 | N | 96.6 | Very high | 96 | Very high | 106 Ų | 106 | 97.2 Ų | 97.2 | 57% | 0.567 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 175.3 | -72.1 | -22.5 | 0 | 0 | 0 | 111.6 | Q47 E48 E49 L53 S54 E55 | Q47-N51 WeakPolarHBondContact O-CB 3.42Å; Q47-N51 PolarHBondContact O-N 2.98Å; Q47-N51 PolarHBondContact O-ND2 3.43Å; E48-N51 PolarHBondContact O-N 3.24Å; E49-N51 VanDerWaalsContact C-N 3.35Å; E49-N51 PolarHBondContact O-N 2.79Å; N51-L53 PolarHBondContact O-N 3.03Å; N51-S54 PolarHBondContact O-N 3.04Å; N51-E55 WeakPolarHBondContact O-CG 3.34Å; N51-E55 PolarHBondContact O-N 3.36Å |
| 52 | Q | 96 | Very high | 95.7 | Very high | 126 Ų | 126 | 100.3 Ų | 100.3 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.4 | -42.3 | 175.8 | -69.6 | 174.6 | 22.7 | 0 | 0 | 112.1 | E48 E49 N50 E55 N56 | E48-Q52 WeakPolarHBondContact O-CG 3.31Å; E48-Q52 PolarHBondContact O-N 3.44Å; E49-Q52 PolarHBondContact O-N 3.38Å; N50-Q52 PolarHBondContact O-N 2.97Å; Q52-E55 PolarHBondContact O-N 2.86Å; Q52-N56 WeakPolarHBondContact O-CB 3.43Å; Q52-N56 VanDerWaalsContact O-CG 3.26Å; Q52-N56 PolarHBondContact O-N 3.48Å; Q52-N56 PolarHBondContact O-ND2 3.03Å |
| 53 | L | 96.9 | Very high | 95.3 | Very high | 115 Ų | 115 | 103.7 Ų | 103.7 | 60% | 0.602 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.1 | -42 | 177.2 | -175.6 | 61.1 | 0 | 0 | 0 | 111.8 | E49 N50 N51 N56 Y57 | E49-L53 PolarHBondContact O-N 3.33Å; N50-L53 PolarHBondContact O-N 3.49Å; N51-L53 PolarHBondContact O-N 3.03Å; L53-N56 PolarHBondContact O-N 3.39Å; L53-Y57 WeakPolarHBondContact O-CB 3.47Å; L53-Y57 PolarHBondContact O-N 3.28Å |
| 54 | S | 96 | Very high | 94.7 | Very high | 48 Ų | 48 | 104.1 Ų | 104.1 | 34% | 0.336 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 176.3 | -173.9 | 0 | 0 | 0 | 0 | 111.9 | N50 N51 Y57 K58 | N50-S54 WeakPolarHBondContact O-CB 3.37Å; N50-S54 PolarHBondContact O-N 2.87Å; N51-S54 PolarHBondContact O-N 3.04Å; S54-Y57 PolarHBondContact O-N 2.81Å; S54-K58 WeakPolarHBondContact O-CG 3.42Å; S54-K58 PolarHBondContact O-N 3.43Å |
| 55 | E | 95.1 | Very high | 93.9 | Very high | 91 Ų | 91 | 101.6 Ų | 101.6 | 43% | 0.425 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 175.7 | -70.3 | -54.4 | 126.1 | 0 | 0 | 112.3 | N51 Q52 Y57 K58 N59 | N51-E55 WeakPolarHBondContact O-CG 3.34Å; N51-E55 PolarHBondContact O-N 3.36Å; Q52-E55 PolarHBondContact O-N 2.86Å; E55-Y57 VanDerWaalsContact C-N 3.33Å; E55-Y57 PolarHBondContact O-N 3.21Å; E55-K58 PolarHBondContact O-N 3.49Å; E55-K58 IonicContact OE1-NZ 3.93Å; E55-K58 PolarHBondContact OE1-NZ 2.88Å; E55-N59 WeakPolarHBondContact O-CB 3.35Å; E55-N59 VanDerWaalsContact O-CG 3.25Å; E55-N59 PolarHBondContact O-N 3.41Å; E55-N59 PolarHBondContact O-ND2 3.26Å |
| 56 | N | 94.5 | Very high | 92.9 | Very high | 92 Ų | 92 | 101 Ų | 101 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 173.6 | -76.2 | -22.7 | 0 | 0 | 0 | 112 | Q52 L53 N59 I60 | Q52-N56 WeakPolarHBondContact O-CB 3.43Å; Q52-N56 VanDerWaalsContact O-CG 3.26Å; Q52-N56 PolarHBondContact O-N 3.48Å; Q52-N56 PolarHBondContact O-ND2 3.03Å; L53-N56 PolarHBondContact O-N 3.39Å; N56-N59 PolarHBondContact O-N 3.24Å; N56-I60 WeakPolarHBondContact O-CG1 3.49Å; N56-I60 PolarHBondContact O-N 3.32Å |
| 57 | Y | 94.4 | Very high | 91.4 | Very high | 159 Ų | 159 | 101.1 Ų | 101.1 | 62% | 0.624 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.3 | -47.7 | 176.2 | 176.7 | -99.7 | 0 | 0 | 0 | 111.8 | L53 S54 E55 N59 I60 L61 | L53-Y57 WeakPolarHBondContact O-CB 3.47Å; L53-Y57 PolarHBondContact O-N 3.28Å; S54-Y57 PolarHBondContact O-N 2.81Å; E55-Y57 VanDerWaalsContact C-N 3.33Å; E55-Y57 PolarHBondContact O-N 3.21Å; Y57-N59 VanDerWaalsContact C-N 3.33Å; Y57-N59 PolarHBondContact O-N 3.02Å; Y57-I60 PolarHBondContact O-N 3.01Å; Y57-L61 WeakPolarHBondContact O-CB 3.37Å; Y57-L61 PolarHBondContact O-N 3.46Å |
| 58 | K | 94.6 | Very high | 89.4 | Confident | 107 Ų | 107 | 101 Ų | 101 | 47% | 0.465 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 175.6 | -70.3 | 174.2 | -168 | 167.8 | 0 | 111.9 | S54 E55 I60 L61 Q62 | S54-K58 WeakPolarHBondContact O-CG 3.42Å; S54-K58 PolarHBondContact O-N 3.43Å; E55-K58 PolarHBondContact O-N 3.49Å; E55-K58 IonicContact OE1-NZ 3.93Å; E55-K58 PolarHBondContact OE1-NZ 2.88Å; K58-I60 PolarHBondContact O-N 3.35Å; K58-L61 PolarHBondContact O-N 3.02Å; K58-Q62 WeakPolarHBondContact O-CB 3.44Å; K58-Q62 PolarHBondContact O-N 2.99Å |
| 59 | N | 92.4 | Very high | 87.4 | Confident | 74 Ų | 74 | 102.1 Ų | 102.1 | 40% | 0.396 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 178.4 | -75.1 | -30.2 | 0 | 0 | 0 | 112.5 | E55 N56 Y57 K63 | E55-N59 WeakPolarHBondContact O-CB 3.35Å; E55-N59 VanDerWaalsContact O-CG 3.25Å; E55-N59 PolarHBondContact O-N 3.41Å; E55-N59 PolarHBondContact O-ND2 3.26Å; N56-N59 PolarHBondContact O-N 3.24Å; Y57-N59 VanDerWaalsContact C-N 3.33Å; Y57-N59 PolarHBondContact O-N 3.02Å; N59-K63 WeakPolarHBondContact O-CG 3.32Å; N59-K63 PolarHBondContact O-N 2.94Å |
| 60 | I | 92.5 | Very high | 85.3 | Confident | 103 Ų | 103 | 103.6 Ų | 103.6 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -45.8 | 175.9 | -69.2 | 166.6 | 0 | 0 | 0 | 110.4 | N56 Y57 K58 Q62 K63 L64 | N56-I60 WeakPolarHBondContact O-CG1 3.49Å; N56-I60 PolarHBondContact O-N 3.32Å; Y57-I60 PolarHBondContact O-N 3.01Å; K58-I60 PolarHBondContact O-N 3.35Å; I60-Q62 VanDerWaalsContact C-N 3.31Å; I60-Q62 PolarHBondContact O-N 2.98Å; I60-K63 PolarHBondContact O-N 3.04Å; I60-L64 HydrophobicContact CG2-CD1 4.14Å; I60-L64 HydrophobicContact CG2-CG 4.5Å; I60-L64 WeakPolarHBondContact O-CG 3.5Å; I60-L64 PolarHBondContact O-N 3.02Å |
| 61 | L | 92.1 | Very high | 83 | Confident | 88 Ų | 88 | 107.2 Ų | 107.2 | 46% | 0.461 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 178.4 | -175.8 | 63.7 | 0 | 0 | 0 | 111.5 | Y57 K58 L64 T65 | Y57-L61 WeakPolarHBondContact O-CB 3.37Å; Y57-L61 PolarHBondContact O-N 3.46Å; K58-L61 PolarHBondContact O-N 3.02Å; L61-L64 PolarHBondContact O-N 3.35Å; L61-T65 WeakPolarHBondContact O-CG2 3.43Å; L61-T65 PolarHBondContact O-N 2.92Å; L61-T65 PolarHBondContact O-OG1 3.43Å |
| 62 | Q | 90.7 | Very high | 80.9 | Confident | 120 Ų | 120 | 108.6 Ų | 108.6 | 56% | 0.561 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.8 | -43.5 | 175.5 | -171.5 | -179 | 49 | 0 | 0 | 112.2 | K58 I60 L64 T65 S66 | K58-Q62 WeakPolarHBondContact O-CB 3.44Å; K58-Q62 PolarHBondContact O-N 2.99Å; I60-Q62 VanDerWaalsContact C-N 3.31Å; I60-Q62 PolarHBondContact O-N 2.98Å; Q62-L64 VanDerWaalsContact C-N 3.31Å; Q62-L64 PolarHBondContact O-N 3.33Å; Q62-T65 PolarHBondContact O-N 3.27Å; Q62-T65 PolarHBondContact O-OG1 3.48Å; Q62-S66 WeakPolarHBondContact O-CB 3.24Å; Q62-S66 PolarHBondContact O-N 3.27Å; Q62-S66 PolarHBondContact O-OG 2.9Å; Q62-S66 VanDerWaalsContact O-OG 3.1Å |
| 63 | K | 89.9 | Confident | 78.6 | Confident | 143 Ų | 143 | 110.1 Ų | 110.1 | 62% | 0.622 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.3 | -39.9 | 176.4 | -74.9 | 175 | -179.8 | 178.1 | 0 | 112.1 | N59 I60 N67 | N59-K63 WeakPolarHBondContact O-CG 3.32Å; N59-K63 PolarHBondContact O-N 2.94Å; I60-K63 PolarHBondContact O-N 3.04Å; K63-N67 VanDerWaalsContact O-CB 3.28Å; K63-N67 WeakPolarHBondContact O-CB 3.48Å; K63-N67 PolarHBondContact O-N 2.92Å; K63-N67 PolarHBondContact O-ND2 3.23Å |
| 64 | L | 86 | Confident | 76.1 | Confident | 102 Ų | 102 | 108.3 Ų | 108.3 | 53% | 0.534 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.7 | -42.9 | 177 | -70.4 | 172 | 0 | 0 | 0 | 111.9 | I60 L61 Q62 N68 | I60-L64 HydrophobicContact CG2-CD1 4.14Å; I60-L64 HydrophobicContact CG2-CG 4.5Å; I60-L64 WeakPolarHBondContact O-CG 3.5Å; I60-L64 PolarHBondContact O-N 3.02Å; L61-L64 PolarHBondContact O-N 3.35Å; Q62-L64 VanDerWaalsContact C-N 3.31Å; Q62-L64 PolarHBondContact O-N 3.33Å; L64-N68 PolarHBondContact O-N 3.17Å; L64-N68 PolarHBondContact O-ND2 3.2Å |
| 65 | T | 81 | Confident | 73.7 | Confident | 72 Ų | 72 | 110.5 Ų | 110.5 | 44% | 0.442 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.5 | -40.9 | 178.5 | 56 | 0 | 0 | 0 | 0 | 112.1 | L61 Q62 N68 I69 | L61-T65 WeakPolarHBondContact O-CG2 3.43Å; L61-T65 PolarHBondContact O-N 2.92Å; L61-T65 PolarHBondContact O-OG1 3.43Å; Q62-T65 PolarHBondContact O-N 3.27Å; Q62-T65 PolarHBondContact O-OG1 3.48Å; T65-N68 PolarHBondContact O-N 3.43Å; T65-I69 PolarHBondContact O-N 3.03Å |
| 66 | S | 74.5 | Confident | 71.3 | Confident | 56 Ų | 56 | 114.6 Ų | 114.6 | 39% | 0.392 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65 | -38.1 | 175.8 | -62.4 | 0 | 0 | 0 | 0 | 113.2 | Q62 N68 I69 N70 | Q62-S66 WeakPolarHBondContact O-CB 3.24Å; Q62-S66 PolarHBondContact O-N 3.27Å; Q62-S66 PolarHBondContact O-OG 2.9Å; Q62-S66 VanDerWaalsContact O-OG 3.1Å; S66-N68 VanDerWaalsContact C-N 3.26Å; S66-N68 PolarHBondContact O-N 2.93Å; S66-I69 PolarHBondContact O-N 3.48Å; S66-N70 PolarHBondContact O-N 3.01Å |
| 67 | N | 65.6 | Low | 69.3 | Low | 102 Ų | 102 | 115.4 Ų | 115.4 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.9 | -28 | 177.7 | -75.2 | -17.3 | 0 | 0 | 0 | 112.9 | K63 | K63-N67 VanDerWaalsContact O-CB 3.28Å; K63-N67 WeakPolarHBondContact O-CB 3.48Å; K63-N67 PolarHBondContact O-N 2.92Å; K63-N67 PolarHBondContact O-ND2 3.23Å |
| 68 | N | 57.9 | Low | 66.8 | Low | 113 Ų | 113 | 113.5 Ų | 113.5 | 60% | 0.604 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -76.9 | -29.5 | 176.6 | -75.2 | -27.5 | 0 | 0 | 0 | 113.1 | L64 T65 S66 | L64-N68 PolarHBondContact O-N 3.17Å; L64-N68 PolarHBondContact O-ND2 3.2Å; T65-N68 PolarHBondContact O-N 3.43Å; S66-N68 VanDerWaalsContact C-N 3.26Å; S66-N68 PolarHBondContact O-N 2.93Å |
| 69 | I | 55.2 | Low | 64.7 | Low | 118 Ų | 118 | 114.6 Ų | 114.6 | 61% | 0.605 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -76.9 | -35.3 | -179.6 | -63.2 | 170.1 | 0 | 0 | 0 | 111 | T65 S66 | T65-I69 PolarHBondContact O-N 3.03Å; S66-I69 PolarHBondContact O-N 3.48Å |
| 70 | N | 52.3 | Low | 62.6 | Low | 138 Ų | 138 | 116.9 Ų | 116.9 | 74% | 0.738 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -82 | -12.9 | -175.4 | -79.9 | -11.9 | 0 | 0 | 0 | 115.5 | S66 | S66-N70 PolarHBondContact O-N 3.01Å |
| 71 | K | 49 | Very low | 60.5 | Low | 178 Ų | 178 | 119.4 Ų | 119.4 | 77% | 0.774 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -11.1 | 177.9 | -81.1 | -172.3 | 175.8 | -178.2 | 0 | 115.1 | ||
| 72 | N | 51.4 | Low | 58.5 | Low | 136 Ų | 136 | 124.1 Ų | 124.1 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -98.4 | 1.6 | -173.8 | -75 | -11.9 | 0 | 0 | 0 | 115.7 | ||
| 73 | N | 48.5 | Very low | 56.4 | Low | 158 Ų | 158 | 127.5 Ų | 127.5 | 85% | 0.845 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -108.9 | 15.9 | -176.9 | -85.1 | -2.8 | 0 | 0 | 0 | 115.3 | ||
| 74 | G | 44.2 | Very low | 54.3 | Low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -137.6 | 2.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 75 | S | 46 | Very low | 52.5 | Low | 94 Ų | 94 | 134.4 Ų | 134.4 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | trans | -127 | 112 | 179.9 | -162.6 | 0 | 0 | 0 | 0 | 110.5 | V77 | S75-V77 PolarHBondContact O-N 3.2Š| ||
| 76 | N | 44.5 | Very low | 51 | Low | 177 Ų | 177 | 137.1 Ų | 137.1 | 95% | 0.947 | 73% | 0.729 | S | S | * | * | trans | -57.7 | 80.1 | 164.9 | -97.9 | -19.2 | 0 | 0 | 0 | 109.3 | N78 | N76-N78 PolarHBondContact O-N 3.49Š| ||
| 77 | V | 52.7 | Low | 49.7 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | trans | -83.1 | 98.6 | 162.6 | -177.9 | 0 | 0 | 0 | 0 | 106.3 | S75 T79 | S75-V77 PolarHBondContact O-N 3.2Å; V77-T79 PolarHBondContact O-N 3Å | ||
| 78 | N | 41.9 | Very low | 48.9 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | trans | -49.5 | 101.1 | 169.9 | 176.4 | 6.2 | 0 | 0 | 0 | 110 | N76 N80 | N76-N78 PolarHBondContact O-N 3.49Å; N78-N80 VanDerWaalsContact C-N 3.33Å; N78-N80 VanDerWaalsContact OD1-CB 3.28Å; N78-N80 WeakPolarHBondContact OD1-CB 3.48Å; N78-N80 PolarHBondContact OD1-N 3.44Å; N78-N80 VanDerWaalsContact OD1-N 3.11Å; N78-N80 PolarHBondContact OD1-ND2 3.39Å; N78-N80 VanDerWaalsContact OD1-ND2 3.1Å | ||
| 79 | T | 50.9 | Low | 48.7 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -98.7 | 50.7 | 172.1 | 46.4 | 0 | 0 | 0 | 0 | 110.2 | V77 N81 | V77-T79 PolarHBondContact O-N 3Å; T79-N81 PolarHBondContact O-N 2.83Å | ||
| 80 | N | 48.4 | Very low | 48.3 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 66% | 0.658 | 78% | 0.78 | S | S | * | * | trans | -75.4 | 120.6 | 160.2 | -71.4 | -21.9 | 0 | 0 | 0 | 108 | N78 | N78-N80 VanDerWaalsContact C-N 3.33Å; N78-N80 VanDerWaalsContact OD1-CB 3.28Å; N78-N80 WeakPolarHBondContact OD1-CB 3.48Å; N78-N80 PolarHBondContact OD1-N 3.44Å; N78-N80 VanDerWaalsContact OD1-N 3.11Å; N78-N80 PolarHBondContact OD1-ND2 3.39Å; N78-N80 VanDerWaalsContact OD1-ND2 3.1Å | ||
| 81 | N | 48.7 | Very low | 48.4 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | 100.4 | 61.7 | 169 | -50.4 | -13.3 | 0 | 0 | 0 | 117.4 | T79 | T79-N81 PolarHBondContact O-N 2.83Š| ||
| 82 | M | 48.4 | Very low | 48.6 | Very low | 186 Ų | 186 | 145.9 Ų | 145.9 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | trans | -138 | 80.1 | 148 | -129.6 | 172 | -84 | 0 | 0 | 110.8 | R84 | M82-R84 PolarHBondContact O-N 3.03Š| ||
| 83 | K | 47.1 | Very low | 48.3 | Very low | 191 Ų | 191 | 148.7 Ų | 148.7 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | -74.9 | 116.7 | 170.5 | -159.4 | 179.6 | -172.8 | -176.4 | 0 | 107.5 | I85 | K83-I85 PolarHBondContact O-N 3.35Š| ||
| 84 | R | 45.7 | Very low | 48.2 | Very low | 246 Ų | 246 | 146.3 Ų | 146.3 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | trans | -56.8 | 112.7 | 174.1 | -71.5 | 174.1 | 155 | -152.7 | -6.2 | 110.2 | M82 | M82-R84 PolarHBondContact O-N 3.03Š| ||
| 85 | I | 48.9 | Very low | 48.5 | Very low | 145 Ų | 145 | 149.3 Ų | 149.3 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -130.5 | 119.2 | 161.7 | -63.5 | 165.5 | 0 | 0 | 0 | 104.3 | K83 | K83-I85 PolarHBondContact O-N 3.35Š| ||
| 86 | D | 48.4 | Very low | 48.9 | Very low | 128 Ų | 128 | 152 Ų | 152 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 60.5 | 88.5 | 161.1 | -176.4 | -3.8 | 0 | 0 | 0 | 116.9 | T88 | D86-T88 PolarHBondContact O-N 2.94Å; D86-T88 PolarHBondContact O-OG1 2.88Å |
| 87 | G | 48.4 | Very low | 49.2 | Very low | 85 Ų | 85 | 151.2 Ų | 151.2 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | S | Bend | 59.5 | -9.5 | 124.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||
| 88 | T | 48.7 | Very low | 48.9 | Very low | 104 Ų | 104 | 155.7 Ų | 155.7 | 64% | 0.638 | 80% | 0.795 | S | S | * | * | trans | -138.7 | 120.5 | -169.6 | 52.5 | 0 | 0 | 0 | 0 | 110.1 | D86 E90 | D86-T88 PolarHBondContact O-N 2.94Å; D86-T88 PolarHBondContact O-OG1 2.88Å; T88-E90 PolarHBondContact O-N 3.1Å; T88-E90 VanDerWaalsContact O-N 3.12Å | ||
| 89 | Y | 52.5 | Low | 49.2 | Very low | 233 Ų | 233 | 153.6 Ų | 153.6 | 91% | 0.914 | 79% | 0.79 | S | S | * | * | trans | -76.4 | 95 | 174.3 | -77.2 | -91.7 | 0 | 0 | 0 | 108.9 | I91 | Y89-I91 PolarHBondContact O-N 2.85Š| ||
| 90 | E | 47.6 | Very low | 49.4 | Very low | 170 Ų | 170 | 153.9 Ų | 153.9 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -82.4 | 104.3 | 159.7 | -73.3 | -166.1 | 163.6 | 0 | 0 | 109.1 | T88 N92 | T88-E90 PolarHBondContact O-N 3.1Å; T88-E90 VanDerWaalsContact O-N 3.12Å; E90-N92 PolarHBondContact O-N 3.17Å; E90-N92 VanDerWaalsContact O-N 3.13Å | ||
| 91 | I | 54.3 | Low | 49.7 | Very low | 153 Ų | 153 | 155.8 Ų | 155.8 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -71.4 | 103.4 | 171.1 | -63.3 | 167.1 | 0 | 0 | 0 | 107.3 | Y89 K93 | Y89-I91 PolarHBondContact O-N 2.85Å; I91-K93 PolarHBondContact O-N 3.32Å | ||
| 92 | N | 52.9 | Low | 49.7 | Very low | 145 Ų | 145 | 154.4 Ų | 154.4 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | -61.2 | 118.6 | 166.3 | -79.9 | -43.5 | 0 | 0 | 0 | 109 | E90 S94 | E90-N92 PolarHBondContact O-N 3.17Å; E90-N92 VanDerWaalsContact O-N 3.13Å; N92-S94 PolarHBondContact O-N 3.07Å | ||
| 93 | K | 45.3 | Very low | 49.7 | Very low | 194 Ų | 194 | 155.6 Ų | 155.6 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | -57.6 | 104.4 | 177.8 | -65.8 | 175.6 | 178.7 | 175.3 | 0 | 110 | I91 | I91-K93 PolarHBondContact O-N 3.32Š| ||
| 94 | S | 47.3 | Very low | 49.9 | Very low | 108 Ų | 108 | 155.5 Ų | 155.5 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -86.5 | 116.5 | 156.7 | -173.9 | 0 | 0 | 0 | 0 | 107.3 | N92 D96 | N92-S94 PolarHBondContact O-N 3.07Å; S94-D96 PolarHBondContact O-N 3.39Å; S94-D96 VanDerWaalsContact O-N 3.12Å | ||
| 95 | N | 48.9 | Very low | 50 | Low | 140 Ų | 140 | 151.7 Ų | 151.7 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -65.2 | 105.9 | 167.4 | -66.5 | -34.7 | 0 | 0 | 0 | 107.1 | ||
| 96 | D | 54.9 | Low | 49.9 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | 155.5 | 57.8 | 154.5 | -77.1 | -19.4 | 0 | 0 | 0 | 109.5 | S94 | S94-D96 PolarHBondContact O-N 3.39Å; S94-D96 VanDerWaalsContact O-N 3.12Å | ||
| 97 | D | 50.4 | Low | 49.9 | Very low | 161 Ų | 161 | 151.5 Ų | 151.5 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | trans | -160.6 | 112.7 | 160.7 | -96.8 | -32.5 | 0 | 0 | 0 | 108.9 | S99 | D97-S99 PolarHBondContact O-N 2.85Å; D97-S99 VanDerWaalsContact O-N 3.1Å | ||
| 98 | K | 47 | Very low | 50.2 | Low | 203 Ų | 203 | 153.7 Ų | 153.7 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -61.5 | 115.7 | 166.7 | -68.8 | -175.4 | -176.8 | -178.7 | 0 | 106.7 | I100 | K98-I100 PolarHBondContact O-N 3.33Å; K98-I100 VanDerWaalsContact O-N 3.16Å | ||
| 99 | S | 48 | Very low | 50.3 | Low | 75 Ų | 75 | 157.5 Ų | 157.5 | 52% | 0.524 | 78% | 0.776 | S | S | . | * | trans | -48.7 | 118.7 | 179.4 | 55.1 | 0 | 0 | 0 | 0 | 111.2 | D97 I101 D102 | D97-S99 PolarHBondContact O-N 2.85Å; D97-S99 VanDerWaalsContact O-N 3.1Å; S99-I101 PolarHBondContact O-N 2.97Å; S99-D102 PolarHBondContact OG-OD2 3.45Å | ||
| 100 | I | 55.5 | Low | 50.1 | Low | 135 Ų | 135 | 156.9 Ų | 156.9 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -72.7 | -9 | 167.7 | -71.7 | 175 | 0 | 0 | 0 | 111 | K98 D102 | K98-I100 PolarHBondContact O-N 3.33Å; K98-I100 VanDerWaalsContact O-N 3.16Å; I100-D102 VanDerWaalsContact C-N 3.35Å; I100-D102 PolarHBondContact O-N 3.28Å |
| 101 | I | 54.3 | Low | 50.7 | Low | 163 Ų | 163 | 154 Ų | 154 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -85.3 | -4.6 | -168.7 | -54.7 | 170.7 | 0 | 0 | 0 | 112.7 | S99 | S99-I101 PolarHBondContact O-N 2.97Š|
| 102 | D | 49.8 | Very low | 51 | Low | 127 Ų | 127 | 155.1 Ų | 155.1 | 68% | 0.679 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -98.2 | 16 | 176.9 | -76.6 | -49.1 | 0 | 0 | 0 | 115.3 | S99 I100 K104 | S99-D102 PolarHBondContact OG-OD2 3.45Å; I100-D102 VanDerWaalsContact C-N 3.35Å; I100-D102 PolarHBondContact O-N 3.28Å; D102-K104 PolarHBondContact O-N 2.83Å |
| 103 | R | 46.8 | Very low | 51.5 | Low | 212 Ų | 212 | 153.8 Ų | 153.8 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | -76 | 84.6 | 169.6 | -110.9 | -173.1 | -63.2 | -141.3 | -0.1 | 110.5 | Q105 | R103-Q105 PolarHBondContact O-N 2.91Š| ||
| 104 | K | 53.1 | Low | 52.1 | Low | 189 Ų | 189 | 150.7 Ų | 150.7 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | -32.4 | 117.7 | 164.4 | -66.8 | 177.7 | 176.2 | -178.6 | 0 | 112.1 | D102 | D102-K104 PolarHBondContact O-N 2.83Š| ||
| 105 | Q | 46 | Very low | 52.5 | Low | 166 Ų | 166 | 153.3 Ų | 153.3 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 22.1 | 105.5 | 137.5 | -64.7 | 176.2 | -42 | 0 | 0 | 116.2 | R103 | R103-Q105 PolarHBondContact O-N 2.91Š| ||
| 106 | N | 47 | Very low | 52.6 | Low | 139 Ų | 139 | 151.3 Ų | 151.3 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | trans | -126.7 | 87.3 | 140 | -164.5 | 1.4 | 0 | 0 | 0 | 107.6 | N108 | N106-N108 VanDerWaalsContact C-N 3.25Å; N106-N108 PolarHBondContact O-N 3.29Å | ||
| 107 | N | 48.7 | Very low | 52.3 | Low | 129 Ų | 129 | 152 Ų | 152 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | trans | -74.5 | 80.5 | 173.3 | -69.3 | -7.9 | 0 | 0 | 0 | 108.3 | ||||
| 108 | N | 55.8 | Low | 52.3 | Low | 131 Ų | 131 | 151.6 Ų | 151.6 | 70% | 0.701 | 75% | 0.746 | S | S | * | * | trans | -97.8 | 99.1 | 153.3 | -86.2 | -1.8 | 0 | 0 | 0 | 106.5 | N106 Y110 | N106-N108 VanDerWaalsContact C-N 3.25Å; N106-N108 PolarHBondContact O-N 3.29Å; N108-Y110 PolarHBondContact O-N 3.17Å | ||
| 109 | E | 49.9 | Very low | 52.6 | Low | 185 Ų | 185 | 150.8 Ų | 150.8 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | trans | -50.7 | 101.6 | 169.6 | -72.4 | 170.5 | 158.9 | 0 | 0 | 109.3 | S111 | E109-S111 PolarHBondContact O-N 2.95Š| ||
| 110 | Y | 49.5 | Very low | 52.6 | Low | 220 Ų | 220 | 158.9 Ų | 158.9 | 86% | 0.863 | 76% | 0.764 | S | S | * | * | trans | -75.4 | 101.2 | 159 | -106.7 | -91.5 | 0 | 0 | 0 | 106.7 | N108 Q112 | N108-Y110 PolarHBondContact O-N 3.17Å; Y110-Q112 PolarHBondContact O-N 3.45Å; Y110-Q112 VanDerWaalsContact O-N 3.09Å | ||
| 111 | S | 59.7 | Low | 52.3 | Low | 108 Ų | 108 | 161.2 Ų | 161.2 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -56.8 | 114.1 | 162.4 | -62.5 | 0 | 0 | 0 | 0 | 107.9 | E109 | E109-S111 PolarHBondContact O-N 2.95Š| ||
| 112 | Q | 60.6 | Low | 52.3 | Low | 178 Ų | 178 | 158.3 Ų | 158.3 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -61.4 | 135.3 | 169.3 | -65.9 | -131 | -51.6 | 0 | 0 | 108.4 | Y110 D114 | Y110-Q112 PolarHBondContact O-N 3.45Å; Y110-Q112 VanDerWaalsContact O-N 3.09Å; Q112-D114 PolarHBondContact O-N 3.4Å | ||
| 113 | P | 63.2 | Low | 52.7 | Low | 116 Ų | 116 | 158.1 Ų | 158.1 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -62.5 | 123.1 | 172.9 | 25 | -30.6 | 0 | 0 | 0 | 108.4 | Q115 | P113-Q115 PolarHBondContact O-N 2.79Å; P113-Q115 VanDerWaalsContact O-N 3.11Å | ||
| 114 | D | 58.3 | Low | 52.7 | Low | 129 Ų | 129 | 156.5 Ų | 156.5 | 69% | 0.69 | 78% | 0.776 | S | S | * | * | trans | -52.8 | 114.4 | 172.9 | -173.4 | 6.3 | 0 | 0 | 0 | 109 | Q112 N116 | Q112-D114 PolarHBondContact O-N 3.4Å; D114-N116 VanDerWaalsContact CG-ND2 3.34Å; D114-N116 PolarHBondContact O-N 3.02Å; D114-N116 PolarHBondContact OD1-ND2 3.48Å; D114-N116 PolarHBondContact OD2-ND2 3.12Å | ||
| 115 | Q | 55.3 | Low | 52.6 | Low | 163 Ų | 163 | 154 Ų | 154 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | -76.4 | 52.7 | 176 | -67.8 | -162.1 | -49.2 | 0 | 0 | 110.6 | P113 H117 | P113-Q115 PolarHBondContact O-N 2.79Å; P113-Q115 VanDerWaalsContact O-N 3.11Å; Q115-H117 VanDerWaalsContact C-N 3.27Å; Q115-H117 PolarHBondContact O-N 3.34Å | ||
| 116 | N | 51.1 | Low | 52.9 | Low | 99 Ų | 99 | 152 Ų | 152 | 53% | 0.529 | 77% | 0.772 | S | S | . | * | trans | -74.6 | 89.2 | 163.8 | -96.1 | -49.7 | 0 | 0 | 0 | 108.1 | D114 H118 | D114-N116 VanDerWaalsContact CG-ND2 3.34Å; D114-N116 PolarHBondContact O-N 3.02Å; D114-N116 PolarHBondContact OD1-ND2 3.48Å; D114-N116 PolarHBondContact OD2-ND2 3.12Å; N116-H118 PolarHBondContact O-N 2.95Å | ||
| 117 | H | 47.8 | Very low | 53.2 | Low | 164 Ų | 164 | 152.9 Ų | 152.9 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -63.5 | 67.8 | 162.7 | -73 | -64.9 | 0 | 0 | 0 | 109.9 | Q115 Q119 | Q115-H117 VanDerWaalsContact C-N 3.27Å; Q115-H117 PolarHBondContact O-N 3.34Å; H117-Q119 PolarHBondContact O-N 3.05Å | ||
| 118 | H | 51.9 | Low | 53.3 | Low | 153 Ų | 153 | 154.6 Ų | 154.6 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -69.8 | 117.2 | 157.6 | -70.6 | -49.9 | 0 | 0 | 0 | 106.8 | N116 R120 | N116-H118 PolarHBondContact O-N 2.95Å; H118-R120 VanDerWaalsContact C-N 3.32Å; H118-R120 PolarHBondContact O-N 3.47Å | ||
| 119 | Q | 52.1 | Low | 53.2 | Low | 186 Ų | 186 | 153.7 Ų | 153.7 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | trans | -48.5 | 99.2 | 168.4 | -60.9 | -175.1 | 9 | 0 | 0 | 107.7 | H117 E121 | H117-Q119 PolarHBondContact O-N 3.05Å; Q119-E121 PolarHBondContact O-N 3.24Å | ||
| 120 | R | 48.8 | Very low | 53.3 | Low | 245 Ų | 245 | 150.9 Ų | 150.9 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | trans | -69.5 | 103.4 | 167.2 | -113.3 | 178.9 | 177.2 | -117 | 1.3 | 104.8 | H118 S122 | H118-R120 VanDerWaalsContact C-N 3.32Å; H118-R120 PolarHBondContact O-N 3.47Å; R120-S122 PolarHBondContact O-N 3.14Å | ||
| 121 | E | 48.3 | Very low | 53.7 | Low | 183 Ų | 183 | 148.3 Ų | 148.3 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 124.1 | 165 | -66.1 | 178.4 | 172 | 0 | 0 | 107.6 | Q119 | Q119-E121 PolarHBondContact O-N 3.24Š|
| 122 | S | 54.7 | Low | 53.2 | Low | 103 Ų | 103 | 148.9 Ų | 148.9 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 140.4 | 171.9 | -71.6 | 0 | 0 | 0 | 0 | 109.2 | R120 M124 | R120-S122 PolarHBondContact O-N 3.14Å; S122-M124 PolarHBondContact O-N 2.97Å |
| 123 | P | 59 | Low | 52.7 | Low | 123 Ų | 123 | 149.2 Ų | 149.2 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 121.2 | 173.1 | 24.3 | -30.7 | 0 | 0 | 0 | 108 | N125 | P123-N125 PolarHBondContact O-N 2.94Š|
| 124 | M | 45 | Very low | 52.1 | Low | 178 Ų | 178 | 153.1 Ų | 153.1 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 137.9 | 173.4 | -96.2 | -157.1 | 80.1 | 0 | 0 | 109.5 | S122 | S122-M124 PolarHBondContact O-N 2.97Š|
| 125 | N | 51.4 | Low | 51.6 | Low | 135 Ų | 135 | 152.6 Ų | 152.6 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -31.1 | 142 | 173.5 | -75.8 | -43 | 0 | 0 | 0 | 113.4 | P123 I127 | P123-N125 PolarHBondContact O-N 2.94Å; N125-I127 PolarHBondContact O-N 3.05Å | ||
| 126 | P | 52.8 | Low | 51.4 | Low | 124 Ų | 124 | 151.9 Ų | 151.9 | 81% | 0.805 | 77% | 0.767 | S | S | * | * | trans | -57.1 | 119.9 | 171.8 | 25.4 | -31.3 | 0 | 0 | 0 | 108.3 | H128 | P126-H128 PolarHBondContact O-N 3.06Å; P126-H128 VanDerWaalsContact O-N 3.1Å | ||
| 127 | I | 53.6 | Low | 51.5 | Low | 158 Ų | 158 | 156.6 Ų | 156.6 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | trans | -58.4 | 117.7 | 174.2 | -44.3 | 166.3 | 0 | 0 | 0 | 105.4 | N125 M129 | N125-I127 PolarHBondContact O-N 3.05Å; I127-M129 PolarHBondContact O-N 3.32Å | ||
| 128 | H | 51.5 | Low | 51.4 | Low | 166 Ų | 166 | 158.6 Ų | 158.6 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -61.1 | 101.5 | 175.3 | -169.6 | 6.1 | 0 | 0 | 0 | 107.9 | P126 T130 | P126-H128 PolarHBondContact O-N 3.06Å; P126-H128 VanDerWaalsContact O-N 3.1Å; H128-T130 PolarHBondContact O-N 3.19Å; H128-T130 VanDerWaalsContact O-N 3.17Å | ||
| 129 | M | 52.7 | Low | 51.2 | Low | 111 Ų | 111 | 157.6 Ų | 157.6 | 55% | 0.547 | 79% | 0.79 | S | S | . | * | trans | -70.3 | 108.8 | 171 | -78.1 | -167.9 | -68.6 | 0 | 0 | 108.3 | I127 Y131 | I127-M129 PolarHBondContact O-N 3.32Å; M129-Y131 PolarHBondContact O-N 3.4Å | ||
| 130 | T | 51.9 | Low | 50.7 | Low | 126 Ų | 126 | 152.3 Ų | 152.3 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -74.9 | 112 | 162.9 | 26.5 | 0 | 0 | 0 | 0 | 108.5 | H128 | H128-T130 PolarHBondContact O-N 3.19Å; H128-T130 VanDerWaalsContact O-N 3.17Å | ||
| 131 | Y | 57.2 | Low | 50.4 | Low | 166 Ų | 166 | 152.7 Ų | 152.7 | 65% | 0.651 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 143.2 | 169.6 | -72.2 | -89.6 | 0 | 0 | 0 | 109.8 | M129 E133 | M129-Y131 PolarHBondContact O-N 3.4Å; Y131-E133 PolarHBondContact O-N 3.44Å |
| 132 | P | 49.4 | Very low | 50.5 | Low | 121 Ų | 121 | 151.2 Ų | 151.2 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 123.3 | 172.6 | 25.4 | -31.2 | 0 | 0 | 0 | 109.7 | K134 | P132-K134 PolarHBondContact O-N 3.2Š|
| 133 | E | 51.2 | Low | 50.2 | Low | 184 Ų | 184 | 153.7 Ų | 153.7 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -54 | 133.5 | 173.7 | -118.1 | 175.3 | 178.5 | 0 | 0 | 110 | Y131 V135 | Y131-E133 PolarHBondContact O-N 3.44Å; E133-V135 PolarHBondContact O-N 2.94Å |
| 134 | K | 49.7 | Very low | 49.8 | Very low | 199 Ų | 199 | 155.4 Ų | 155.4 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | -54.9 | 111.3 | 171.1 | -82.1 | -179.4 | 175 | 179.9 | 0 | 108.7 | P132 I136 | P132-K134 PolarHBondContact O-N 3.2Å; K134-I136 PolarHBondContact O-N 3.04Å | ||
| 135 | V | 47.8 | Very low | 50 | Low | 117 Ų | 117 | 154.1 Ų | 154.1 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | trans | -65.9 | 100 | 168.3 | -168.7 | 0 | 0 | 0 | 0 | 107.1 | E133 Y137 | E133-V135 PolarHBondContact O-N 2.94Å; V135-Y137 PolarHBondContact O-N 3.08Å; V135-Y137 VanDerWaalsContact O-N 3.14Å | ||
| 136 | I | 51.8 | Low | 49.9 | Very low | 148 Ų | 148 | 155.3 Ų | 155.3 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | -72 | 104 | 168.7 | -60.3 | 174.7 | 0 | 0 | 0 | 106 | K134 K138 | K134-I136 PolarHBondContact O-N 3.04Å; I136-K138 PolarHBondContact O-N 3.18Å | ||
| 137 | Y | 52.8 | Low | 49.8 | Very low | 198 Ų | 198 | 157.4 Ų | 157.4 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -61.7 | 102 | 165.7 | -76.8 | -86 | 0 | 0 | 0 | 108.4 | V135 T139 | V135-Y137 PolarHBondContact O-N 3.08Å; V135-Y137 VanDerWaalsContact O-N 3.14Å; Y137-T139 VanDerWaalsContact C-N 3.31Å; Y137-T139 PolarHBondContact O-N 3.23Å | ||
| 138 | K | 44.9 | Very low | 49.5 | Very low | 206 Ų | 206 | 157.4 Ų | 157.4 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | trans | -63.9 | 95.9 | 156 | -88.8 | -179.7 | 171.4 | 179.6 | 0 | 107.3 | I136 G140 | I136-K138 PolarHBondContact O-N 3.18Å; K138-G140 PolarHBondContact O-N 3.41Å | ||
| 139 | T | 49.4 | Very low | 49.3 | Very low | 133 Ų | 133 | 156.7 Ų | 156.7 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | trans | -71 | 116.1 | 154.9 | 40.7 | 0 | 0 | 0 | 0 | 107.5 | Y137 | Y137-T139 VanDerWaalsContact C-N 3.31Å; Y137-T139 PolarHBondContact O-N 3.23Å | ||
| 140 | G | 40.1 | Very low | 49 | Very low | 75 Ų | 75 | 160.5 Ų | 160.5 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | trans | -65.7 | 141.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K138 | K138-G140 PolarHBondContact O-N 3.41Š| ||
| 141 | L | 42.4 | Very low | 48.8 | Very low | 253 Ų | 253 | 163.6 Ų | 163.6 | 100% | 1.325 | 84% | 0.838 | S | S | * | * | trans | -122.8 | 0 | 146.9 | -84.1 | 168.9 | 0 | 0 | 0 | 106.6 |
Retrieved 141 of 141 residues in 25.6 ms
(Link to these results)