| 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 | 38.9 | Very low | 44.7 | Very low | 237 Ų | 237 | 155.2 Ų | 155.2 | 100% | 1.167 | 80% | 0.796 | S | S | * | * | 0 | 82 | 0 | -63.1 | -154.9 | -83.4 | 0 | 0 | 105.8 | |||||
| 2 | L | 44.5 | Very low | 45 | Very low | 170 Ų | 170 | 157 Ų | 157 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | 57.5 | 91.3 | 90.6 | -74 | 175.7 | 0 | 0 | 0 | 112.5 | |||||
| 3 | A | 45 | Very low | 45.3 | Very low | 95 Ų | 95 | 157.2 Ų | 157.2 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -158.7 | 79.7 | 145.8 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 4 | E | 43.8 | Very low | 46 | Very low | 174 Ų | 174 | 159.2 Ų | 159.2 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | 70.3 | 98.2 | 95 | -75 | -176 | 171.7 | 0 | 0 | 112.2 | L6 | E4-L6 PolarHBondContact O-N 3.44Š| |||
| 5 | N | 49.1 | Very low | 46.7 | Very low | 149 Ų | 149 | 158.1 Ų | 158.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | 8.6 | 101.6 | 144.6 | -68.5 | -21.7 | 0 | 0 | 0 | 115.8 | ||||
| 6 | L | 45.4 | Very low | 47.5 | Very low | 150 Ų | 150 | 157.3 Ų | 157.3 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -109.3 | 69.4 | 140.6 | -155.3 | 75 | 0 | 0 | 0 | 107.2 | E4 E8 | E4-L6 PolarHBondContact O-N 3.44Å; L6-E8 HydrophobicContact CD2-CG 4.32Å; L6-E8 HydrophobicContact CG-CG 4.3Å; L6-E8 PolarHBondContact O-N 3.48Å | ||
| 7 | V | 44.9 | Very low | 48.3 | Very low | 106 Ų | 106 | 155 Ų | 155 | 64% | 0.642 | 79% | 0.788 | S | S | * | * | trans | -64.9 | 93.7 | 149.9 | 173.5 | 0 | 0 | 0 | 0 | 103 | E9 | V7-E9 HydrophobicContact CG1-CG 4.36Å; V7-E9 PolarHBondContact O-N 3.49Å | ||
| 8 | E | 46 | Very low | 49.1 | Very low | 133 Ų | 133 | 157.9 Ų | 157.9 | 62% | 0.621 | 79% | 0.788 | S | S | * | * | trans | -57.8 | 97.5 | 156.6 | -85.9 | 177.9 | 159.3 | 0 | 0 | 104.6 | L6 F10 | L6-E8 HydrophobicContact CD2-CG 4.32Å; L6-E8 HydrophobicContact CG-CG 4.3Å; L6-E8 PolarHBondContact O-N 3.48Å; E8-F10 HydrophobicContact CB-CD2 4.34Å; E8-F10 HydrophobicContact CB-CE2 4.29Å; E8-F10 PolarHBondContact O-N 3.44Å | ||
| 9 | E | 45.7 | Very low | 49.8 | Very low | 170 Ų | 170 | 157.8 Ų | 157.8 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -54.5 | 89.9 | 155.9 | -71.8 | 175.4 | 167.2 | 0 | 0 | 105 | V7 E11 | V7-E9 HydrophobicContact CG1-CG 4.36Å; V7-E9 PolarHBondContact O-N 3.49Å; E9-E11 PolarHBondContact O-N 3.28Å | ||
| 10 | F | 40.6 | Very low | 51.4 | Low | 175 Ų | 175 | 156 Ų | 156 | 77% | 0.768 | 77% | 0.772 | S | S | * | * | trans | -59.7 | 86 | 151.3 | -79.4 | -91.5 | 0 | 0 | 0 | 104 | E8 M12 | E8-F10 HydrophobicContact CB-CD2 4.34Å; E8-F10 HydrophobicContact CB-CE2 4.29Å; E8-F10 PolarHBondContact O-N 3.44Å; F10-M12 PolarHBondContact O-N 3.28Å | ||
| 11 | E | 47.4 | Very low | 52.7 | Low | 148 Ų | 148 | 156 Ų | 156 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | -43.5 | 105.5 | 148.8 | -79.5 | -178 | 158.4 | 0 | 0 | 103.8 | E9 K13 | E9-E11 PolarHBondContact O-N 3.28Å; E11-K13 PolarHBondContact O-N 3.33Å | ||
| 12 | M | 48.1 | Very low | 54.8 | Low | 177 Ų | 177 | 151.3 Ų | 151.3 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | trans | -61.3 | 82.2 | 153.4 | -65 | -160.8 | -56.7 | 0 | 0 | 103.4 | F10 E14 | F10-M12 PolarHBondContact O-N 3.28Å; M12-E14 PolarHBondContact O-N 3.22Å | ||
| 13 | K | 49.1 | Very low | 56.8 | Low | 160 Ų | 160 | 146.7 Ų | 146.7 | 70% | 0.696 | 72% | 0.721 | S | S | * | * | trans | -52.8 | 102.8 | 154.6 | -83 | 179.9 | 176.3 | 177.2 | 0 | 102 | E11 D15 | E11-K13 PolarHBondContact O-N 3.33Å; K13-D15 VanDerWaalsContact C-N 3.29Å; K13-D15 PolarHBondContact O-N 3.05Å | ||
| 14 | E | 55.9 | Low | 58.8 | Low | 185 Ų | 185 | 146.8 Ų | 146.8 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | trans | -44.2 | 109.2 | 165 | -72.3 | 177.9 | 152.9 | 0 | 0 | 104.3 | M12 E16 | M12-E14 PolarHBondContact O-N 3.22Å; E14-E16 PolarHBondContact O-N 3.01Å | ||
| 15 | D | 55.6 | Low | 61 | Low | 142 Ų | 142 | 143.3 Ų | 143.3 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | trans | -46.8 | 123.4 | -176.6 | -76.5 | -50.5 | 0 | 0 | 0 | 106.8 | K13 | K13-D15 VanDerWaalsContact C-N 3.29Å; K13-D15 PolarHBondContact O-N 3.05Å | ||
| 16 | E | 59.8 | Low | 62.9 | Low | 145 Ų | 145 | 141 Ų | 141 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | trans | -41.4 | 129.8 | 175.1 | -80.4 | 173.5 | 147.1 | 0 | 0 | 108.2 | E14 W18 | E14-E16 PolarHBondContact O-N 3.01Å; E16-W18 VanDerWaalsContact C-N 3.29Å; E16-W18 PolarHBondContact O-N 3.46Å | ||
| 17 | P | 61.7 | Low | 65.2 | Low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 66% | 0.663 | S | S | * | * | trans | -61.9 | 96.5 | 178.2 | -20.7 | 31.6 | 0 | 0 | 0 | 108 | Y19 | P17-Y19 PolarHBondContact O-N 3.33Š| ||
| 18 | W | 62.7 | Low | 67.6 | Low | 208 Ų | 208 | 139.2 Ų | 139.2 | 79% | 0.788 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -66.7 | 10.5 | -173.5 | -82.4 | 90.5 | 0 | 0 | 0 | 113.7 | E16 | E16-W18 VanDerWaalsContact C-N 3.29Å; E16-W18 PolarHBondContact O-N 3.46Å |
| 19 | Y | 62.4 | Low | 69.8 | Low | 155 Ų | 155 | 137.7 Ų | 137.7 | 61% | 0.608 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -148.1 | 132.2 | 172 | -80.4 | -86.2 | 0 | 0 | 0 | 109.8 | P17 H21 | P17-Y19 PolarHBondContact O-N 3.33Å; Y19-H21 PolarHBondContact O-N 3.07Å |
| 20 | D | 80.8 | Confident | 72.2 | Confident | 121 Ų | 121 | 134.8 Ų | 134.8 | 65% | 0.647 | 65% | 0.645 | S | S | * | * | trans | -59.7 | 128.2 | 164.4 | -79.3 | -33.9 | 0 | 0 | 0 | 108.2 | Q22 D23 L24 | D20-Q22 PolarHBondContact O-N 2.7Å; D20-D23 PolarHBondContact O-N 2.94Å; D20-L24 PolarHBondContact O-N 2.78Å | ||
| 21 | H | 79.2 | Confident | 74.9 | Confident | 156 Ų | 156 | 129.2 Ų | 129.2 | 72% | 0.722 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -53.9 | -28.6 | -174.8 | -174.1 | 67.9 | 0 | 0 | 0 | 112.9 | Y19 Q25 | Y19-H21 PolarHBondContact O-N 3.07Å; H21-Q25 WeakPolarHBondContact O-CB 3.17Å; H21-Q25 PolarHBondContact O-N 3.22Å; H21-Q25 VanDerWaalsContact O-N 3.16Å |
| 22 | Q | 83 | Confident | 77.2 | Confident | 139 Ų | 139 | 125.3 Ų | 125.3 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -76.5 | -28.3 | 179.7 | -166.9 | 160.4 | 0.6 | 0 | 0 | 113.6 | D20 Q26 | D20-Q22 PolarHBondContact O-N 2.7Å; Q22-Q26 WeakPolarHBondContact O-CG 3.5Å; Q22-Q26 PolarHBondContact O-N 3.11Å; Q22-Q26 PolarHBondContact O-NE2 2.64Å |
| 23 | D | 86.8 | Confident | 79.5 | Confident | 74 Ų | 74 | 122.9 Ų | 122.9 | 40% | 0.396 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -79 | -41.6 | 176.7 | -70.3 | -13.9 | 0 | 0 | 0 | 110.4 | D20 Q25 Q26 D27 | D20-D23 PolarHBondContact O-N 2.94Å; D23-Q25 PolarHBondContact O-N 3.31Å; D23-Q26 PolarHBondContact O-N 2.84Å; D23-Q26 VanDerWaalsContact O-N 3.13Å; D23-D27 PolarHBondContact O-N 2.87Å |
| 24 | L | 87.5 | Confident | 81.8 | Confident | 97 Ų | 97 | 120.3 Ų | 120.3 | 51% | 0.508 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -58.8 | -38.7 | 171.4 | -179.3 | 62.7 | 0 | 0 | 0 | 111.8 | D20 L28 | D20-L24 PolarHBondContact O-N 2.78Å; L24-L28 VanDerWaalsContact O-CB 3.29Å; L24-L28 WeakPolarHBondContact O-CB 3.31Å; L24-L28 PolarHBondContact O-N 2.85Å |
| 25 | Q | 88.6 | Confident | 83.7 | Confident | 100 Ų | 100 | 113.3 Ų | 113.3 | 47% | 0.467 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.7 | -38.3 | 176.6 | -173.8 | 174.8 | 2.9 | 0 | 0 | 112.3 | H21 D23 Q29 | H21-Q25 WeakPolarHBondContact O-CB 3.17Å; H21-Q25 PolarHBondContact O-N 3.22Å; H21-Q25 VanDerWaalsContact O-N 3.16Å; D23-Q25 PolarHBondContact O-N 3.31Å; Q25-Q29 VanDerWaalsContact O-CG 3.26Å; Q25-Q29 WeakPolarHBondContact O-CG 3.4Å; Q25-Q29 PolarHBondContact O-N 3.39Å |
| 26 | Q | 90.6 | Very high | 85.7 | Confident | 100 Ų | 100 | 113.1 Ų | 113.1 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -68.7 | -44.9 | 176.2 | -76.9 | 167.5 | 67.3 | 0 | 0 | 112 | Q22 D23 L28 Q29 L30 | Q22-Q26 WeakPolarHBondContact O-CG 3.5Å; Q22-Q26 PolarHBondContact O-N 3.11Å; Q22-Q26 PolarHBondContact O-NE2 2.64Å; D23-Q26 PolarHBondContact O-N 2.84Å; D23-Q26 VanDerWaalsContact O-N 3.13Å; Q26-L28 VanDerWaalsContact C-N 3.3Å; Q26-L28 PolarHBondContact O-N 2.87Å; Q26-Q29 WeakPolarHBondContact O-CB 3.42Å; Q26-Q29 PolarHBondContact O-N 2.86Å; Q26-L30 PolarHBondContact O-N 2.9Å |
| 27 | D | 93.9 | Very high | 87.5 | Confident | 94 Ų | 94 | 110.4 Ų | 110.4 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.8 | -38.7 | 177.3 | -76.4 | -17.9 | 0 | 0 | 0 | 111.5 | D23 L30 A31 | D23-D27 PolarHBondContact O-N 2.87Å; D27-L30 PolarHBondContact O-N 3.45Å; D27-A31 VanDerWaalsContact O-CB 3.31Å; D27-A31 WeakPolarHBondContact O-CB 3.31Å; D27-A31 PolarHBondContact O-N 3.26Å |
| 28 | L | 93.8 | Very high | 89.2 | Confident | 125 Ų | 125 | 109.8 Ų | 109.8 | 65% | 0.654 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.5 | -40.1 | 174.8 | -173 | 66.8 | 0 | 0 | 0 | 111.9 | L24 Q26 A32 | L24-L28 VanDerWaalsContact O-CB 3.29Å; L24-L28 WeakPolarHBondContact O-CB 3.31Å; L24-L28 PolarHBondContact O-N 2.85Å; Q26-L28 VanDerWaalsContact C-N 3.3Å; Q26-L28 PolarHBondContact O-N 2.87Å; L28-A32 WeakPolarHBondContact O-CB 3.38Å; L28-A32 PolarHBondContact O-N 3.47Å |
| 29 | Q | 93.8 | Very high | 90.9 | Very high | 102 Ų | 102 | 105.3 Ų | 105.3 | 48% | 0.477 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 174.3 | -76.5 | 171.1 | -6 | 0 | 0 | 111.3 | Q25 Q26 A31 A32 E33 | Q25-Q29 VanDerWaalsContact O-CG 3.26Å; Q25-Q29 WeakPolarHBondContact O-CG 3.4Å; Q25-Q29 PolarHBondContact O-N 3.39Å; Q26-Q29 WeakPolarHBondContact O-CB 3.42Å; Q26-Q29 PolarHBondContact O-N 2.86Å; Q29-A31 PolarHBondContact O-N 2.78Å; Q29-A32 WeakPolarHBondContact O-CB 3.3Å; Q29-A32 PolarHBondContact O-N 2.72Å; Q29-E33 WeakPolarHBondContact O-CG 3.39Å; Q29-E33 PolarHBondContact O-N 3.49Å |
| 30 | L | 95.5 | Very high | 92.6 | Very high | 108 Ų | 108 | 101.2 Ų | 101.2 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.3 | -42.3 | 178.1 | -176.5 | 64.8 | 0 | 0 | 0 | 111.9 | Q26 D27 A32 E33 L34 | Q26-L30 PolarHBondContact O-N 2.9Å; D27-L30 PolarHBondContact O-N 3.45Å; L30-A32 VanDerWaalsContact C-N 3.3Å; L30-A32 PolarHBondContact O-N 2.81Å; L30-E33 PolarHBondContact O-N 3.02Å; L30-L34 WeakPolarHBondContact O-CB 3.33Å; L30-L34 PolarHBondContact O-N 3.17Å |
| 31 | A | 96.1 | Very high | 93.4 | Very high | 59 Ų | 59 | 102.9 Ų | 102.9 | 49% | 0.488 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D27 Q29 G35 | D27-A31 VanDerWaalsContact O-CB 3.31Å; D27-A31 WeakPolarHBondContact O-CB 3.31Å; D27-A31 PolarHBondContact O-N 3.26Å; Q29-A31 PolarHBondContact O-N 2.78Å; A31-G35 PolarHBondContact O-N 3.46Å |
| 32 | A | 95.9 | Very high | 94.3 | Very high | 65 Ų | 65 | 99.4 Ų | 99.4 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L28 Q29 L30 G35 K36 | L28-A32 WeakPolarHBondContact O-CB 3.38Å; L28-A32 PolarHBondContact O-N 3.47Å; Q29-A32 WeakPolarHBondContact O-CB 3.3Å; Q29-A32 PolarHBondContact O-N 2.72Å; L30-A32 VanDerWaalsContact C-N 3.3Å; L30-A32 PolarHBondContact O-N 2.81Å; A32-G35 PolarHBondContact O-N 3.4Å; A32-K36 WeakPolarHBondContact O-CB 3.06Å; A32-K36 PolarHBondContact O-N 3.14Å |
| 33 | E | 96.1 | Very high | 95 | Very high | 126 Ų | 126 | 95.5 Ų | 95.5 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.6 | -42.1 | 175.5 | -74.5 | -177.8 | 176.3 | 0 | 0 | 112.3 | Q29 L30 K36 T37 | Q29-E33 WeakPolarHBondContact O-CG 3.39Å; Q29-E33 PolarHBondContact O-N 3.49Å; L30-E33 PolarHBondContact O-N 3.02Å; E33-K36 PolarHBondContact O-N 2.82Å; E33-T37 PolarHBondContact O-N 3.35Å; E33-T37 PolarHBondContact O-OG1 2.9Å |
| 34 | L | 97.2 | Very high | 95.5 | Very high | 107 Ų | 107 | 98 Ų | 98 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.7 | -44.6 | 174.4 | -176.3 | 66.9 | 0 | 0 | 0 | 111 | L30 K36 T37 L38 | L30-L34 WeakPolarHBondContact O-CB 3.33Å; L30-L34 PolarHBondContact O-N 3.17Å; L34-K36 VanDerWaalsContact C-N 3.31Å; L34-K36 PolarHBondContact O-N 2.79Å; L34-T37 PolarHBondContact O-N 2.95Å; L34-L38 HydrophobicContact CG-CD1 4.22Å; L34-L38 WeakPolarHBondContact O-CB 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 3.05Å |
| 35 | G | 97.4 | Very high | 96 | Very high | 37 Ų | 37 | 98.2 Ų | 98.2 | 38% | 0.381 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.6 | -44.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A31 A32 L38 L39 | A31-G35 PolarHBondContact O-N 3.46Å; A32-G35 PolarHBondContact O-N 3.4Å; G35-L38 PolarHBondContact O-N 2.98Å; G35-L39 WeakPolarHBondContact O-CB 3.2Å; G35-L39 PolarHBondContact O-N 3.48Å |
| 36 | K | 97.7 | Very high | 96.4 | Very high | 138 Ų | 138 | 98.7 Ų | 98.7 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.9 | -47.6 | 174.1 | -176.5 | -175.6 | 175.2 | -171.1 | 0 | 111.6 | A32 E33 L34 L38 L39 D40 | A32-K36 WeakPolarHBondContact O-CB 3.06Å; A32-K36 PolarHBondContact O-N 3.14Å; E33-K36 PolarHBondContact O-N 2.82Å; L34-K36 VanDerWaalsContact C-N 3.31Å; L34-K36 PolarHBondContact O-N 2.79Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-L38 PolarHBondContact O-N 3.37Å; K36-L39 WeakPolarHBondContact O-CB 3.34Å; K36-L39 PolarHBondContact O-N 3.46Å; K36-D40 WeakPolarHBondContact O-CB 3.31Å; K36-D40 PolarHBondContact O-N 3.34Å |
| 37 | T | 96.9 | Very high | 96.8 | Very high | 89 Ų | 89 | 99.1 Ų | 99.1 | 55% | 0.546 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | -179.8 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | E33 L34 R41 | E33-T37 PolarHBondContact O-N 3.35Å; E33-T37 PolarHBondContact O-OG1 2.9Å; L34-T37 PolarHBondContact O-N 2.95Å; T37-R41 WeakPolarHBondContact O-CB 3.22Å; T37-R41 PolarHBondContact O-N 3.38Å |
| 38 | L | 98.1 | Very high | 96.9 | Very high | 105 Ų | 105 | 98 Ų | 98 | 55% | 0.55 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 175.2 | -72.8 | 173.8 | 0 | 0 | 0 | 111.8 | L34 G35 K36 N42 | L34-L38 HydrophobicContact CG-CD1 4.22Å; L34-L38 WeakPolarHBondContact O-CB 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 3.05Å; G35-L38 PolarHBondContact O-N 2.98Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-L38 PolarHBondContact O-N 3.37Å; L38-N42 VanDerWaalsContact O-CB 3.27Å; L38-N42 WeakPolarHBondContact O-CB 3.39Å; L38-N42 PolarHBondContact O-N 3.33Å |
| 39 | L | 98.2 | Very high | 97.1 | Very high | 114 Ų | 114 | 96 Ų | 96 | 60% | 0.597 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.1 | -48.6 | 175.4 | -154 | 102.1 | 0 | 0 | 0 | 110.5 | G35 K36 R41 N42 T43 | G35-L39 WeakPolarHBondContact O-CB 3.2Å; G35-L39 PolarHBondContact O-N 3.48Å; K36-L39 WeakPolarHBondContact O-CB 3.34Å; K36-L39 PolarHBondContact O-N 3.46Å; L39-R41 VanDerWaalsContact C-N 3.34Å; L39-R41 PolarHBondContact O-N 2.83Å; L39-N42 WeakPolarHBondContact O-CB 3.08Å; L39-N42 PolarHBondContact O-N 3.22Å; L39-T43 WeakPolarHBondContact O-CG2 3.29Å; L39-T43 PolarHBondContact O-N 3.42Å; L39-T43 PolarHBondContact O-OG1 2.91Å |
| 40 | D | 97.4 | Very high | 97.3 | Very high | 69 Ų | 69 | 97.3 Ų | 97.3 | 37% | 0.369 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.3 | -48.2 | 177.6 | -67.5 | -17.2 | 0 | 0 | 0 | 110.1 | K36 N42 T43 E44 | K36-D40 WeakPolarHBondContact O-CB 3.31Å; K36-D40 PolarHBondContact O-N 3.34Å; D40-N42 VanDerWaalsContact C-N 3.31Å; D40-N42 PolarHBondContact O-N 3.04Å; D40-T43 WeakPolarHBondContact CA-OG1 3.38Å; D40-T43 PolarHBondContact O-N 3.5Å; D40-T43 PolarHBondContact O-OG1 2.8Å; D40-E44 WeakPolarHBondContact O-CG 3.24Å; D40-E44 PolarHBondContact O-N 3.07Å |
| 41 | R | 97.5 | Very high | 97.5 | Very high | 156 Ų | 156 | 98.3 Ų | 98.3 | 59% | 0.589 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.4 | -37.7 | 175.2 | -176.3 | 175.9 | -178.2 | 79 | 1.6 | 112.9 | T37 L39 L45 | T37-R41 WeakPolarHBondContact O-CB 3.22Å; T37-R41 PolarHBondContact O-N 3.38Å; L39-R41 VanDerWaalsContact C-N 3.34Å; L39-R41 PolarHBondContact O-N 2.83Å; R41-L45 HydrophobicContact CG-CD1 4.44Å; R41-L45 VanDerWaalsContact O-CG 3.28Å; R41-L45 WeakPolarHBondContact O-CG 3.48Å; R41-L45 PolarHBondContact O-N 2.79Å; R41-L45 VanDerWaalsContact O-N 3.12Å |
| 42 | N | 97.8 | Very high | 97.5 | Very high | 84 Ų | 84 | 99.6 Ų | 99.6 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 177.5 | -173.1 | -115 | 0 | 0 | 0 | 110.8 | L38 L39 D40 E44 L45 E46 | L38-N42 VanDerWaalsContact O-CB 3.27Å; L38-N42 WeakPolarHBondContact O-CB 3.39Å; L38-N42 PolarHBondContact O-N 3.33Å; L39-N42 WeakPolarHBondContact O-CB 3.08Å; L39-N42 PolarHBondContact O-N 3.22Å; D40-N42 VanDerWaalsContact C-N 3.31Å; D40-N42 PolarHBondContact O-N 3.04Å; N42-E44 PolarHBondContact O-N 2.84Å; N42-L45 WeakPolarHBondContact O-CB 3.44Å; N42-L45 PolarHBondContact O-N 3.14Å; N42-E46 WeakPolarHBondContact O-CG 3.25Å; N42-E46 PolarHBondContact O-N 2.86Å; N42-E46 PolarHBondContact OD1-OE1 2.87Å |
| 43 | T | 97.5 | Very high | 97.6 | Very high | 56 Ų | 56 | 103.4 Ų | 103.4 | 34% | 0.344 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 174.6 | 58.6 | 0 | 0 | 0 | 0 | 112.5 | L39 D40 L45 E46 D47 | L39-T43 WeakPolarHBondContact O-CG2 3.29Å; L39-T43 PolarHBondContact O-N 3.42Å; L39-T43 PolarHBondContact O-OG1 2.91Å; D40-T43 WeakPolarHBondContact CA-OG1 3.38Å; D40-T43 PolarHBondContact O-N 3.5Å; D40-T43 PolarHBondContact O-OG1 2.8Å; T43-L45 VanDerWaalsContact C-N 3.31Å; T43-L45 PolarHBondContact O-N 3.27Å; T43-E46 PolarHBondContact O-N 3.25Å; T43-D47 WeakPolarHBondContact O-CB 3.47Å; T43-D47 PolarHBondContact O-N 3.36Å |
| 44 | E | 97.9 | Very high | 97.7 | Very high | 128 Ų | 128 | 100.7 Ų | 100.7 | 60% | 0.598 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.9 | -37.9 | 174.6 | -72.9 | 174.4 | -178.3 | 0 | 0 | 112.5 | D40 N42 S48 | D40-E44 WeakPolarHBondContact O-CG 3.24Å; D40-E44 PolarHBondContact O-N 3.07Å; N42-E44 PolarHBondContact O-N 2.84Å; E44-S48 VanDerWaalsContact O-CB 3.29Å; E44-S48 WeakPolarHBondContact O-CB 3.49Å; E44-S48 PolarHBondContact O-N 3.4Å |
| 45 | L | 97.9 | Very high | 97.8 | Very high | 100 Ų | 100 | 98.1 Ų | 98.1 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.2 | -39.9 | 176.6 | -72.4 | 171.7 | 0 | 0 | 0 | 111.6 | R41 N42 T43 S48 L49 | R41-L45 HydrophobicContact CG-CD1 4.44Å; R41-L45 VanDerWaalsContact O-CG 3.28Å; R41-L45 WeakPolarHBondContact O-CG 3.48Å; R41-L45 PolarHBondContact O-N 2.79Å; R41-L45 VanDerWaalsContact O-N 3.12Å; N42-L45 WeakPolarHBondContact O-CB 3.44Å; N42-L45 PolarHBondContact O-N 3.14Å; T43-L45 VanDerWaalsContact C-N 3.31Å; T43-L45 PolarHBondContact O-N 3.27Å; L45-S48 PolarHBondContact O-N 3.23Å; L45-L49 VanDerWaalsContact O-CB 3.3Å; L45-L49 WeakPolarHBondContact O-CB 3.44Å; L45-L49 PolarHBondContact O-N 3.47Å |
| 46 | E | 97.6 | Very high | 97.8 | Very high | 110 Ų | 110 | 99.8 Ų | 99.8 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -46.5 | 174.4 | -71.7 | 177.1 | 164.7 | 0 | 0 | 111.2 | N42 T43 S48 L49 Q50 | N42-E46 WeakPolarHBondContact O-CG 3.25Å; N42-E46 PolarHBondContact O-N 2.86Å; N42-E46 PolarHBondContact OD1-OE1 2.87Å; T43-E46 PolarHBondContact O-N 3.25Å; E46-S48 PolarHBondContact O-N 2.83Å; E46-L49 PolarHBondContact O-N 3.38Å; E46-Q50 WeakPolarHBondContact O-CB 3.35Å; E46-Q50 PolarHBondContact O-N 2.96Å |
| 47 | D | 97.9 | Very high | 97.9 | Very high | 110 Ų | 110 | 98.3 Ų | 98.3 | 59% | 0.588 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 176.4 | -77.4 | -16 | 0 | 0 | 0 | 111.6 | T43 L49 Q50 Q51 | T43-D47 WeakPolarHBondContact O-CB 3.47Å; T43-D47 PolarHBondContact O-N 3.36Å; D47-L49 VanDerWaalsContact C-N 3.35Å; D47-L49 PolarHBondContact O-N 3.4Å; D47-Q50 PolarHBondContact O-N 2.9Å; D47-Q51 WeakPolarHBondContact O-CB 3.45Å; D47-Q51 PolarHBondContact O-N 2.91Å |
| 48 | S | 97.7 | Very high | 97.9 | Very high | 69 Ų | 69 | 99.8 Ų | 99.8 | 48% | 0.483 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 176.8 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | E44 L45 E46 Q51 M52 | E44-S48 VanDerWaalsContact O-CB 3.29Å; E44-S48 WeakPolarHBondContact O-CB 3.49Å; E44-S48 PolarHBondContact O-N 3.4Å; L45-S48 PolarHBondContact O-N 3.23Å; E46-S48 PolarHBondContact O-N 2.83Å; S48-Q51 PolarHBondContact O-N 3.37Å; S48-M52 PolarHBondContact O-N 3.23Å |
| 49 | L | 97.9 | Very high | 97.9 | Very high | 85 Ų | 85 | 100 Ų | 100 | 45% | 0.445 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 175.8 | -178.5 | 68.5 | 0 | 0 | 0 | 110.9 | L45 E46 D47 Q51 M52 Y53 | L45-L49 VanDerWaalsContact O-CB 3.3Å; L45-L49 WeakPolarHBondContact O-CB 3.44Å; L45-L49 PolarHBondContact O-N 3.47Å; E46-L49 PolarHBondContact O-N 3.38Å; D47-L49 VanDerWaalsContact C-N 3.35Å; D47-L49 PolarHBondContact O-N 3.4Å; L49-Q51 VanDerWaalsContact C-N 3.34Å; L49-Q51 PolarHBondContact O-N 2.86Å; L49-M52 HydrophobicContact CD1-CE 3.75Å; L49-M52 WeakPolarHBondContact O-CB 3.36Å; L49-M52 PolarHBondContact O-N 3.45Å; L49-M52 VanDerWaalsContact O-N 3.15Å; L49-Y53 HydrophobicContact CD1-CD2 4.31Å; L49-Y53 HydrophobicContact CD1-CE2 3.77Å; L49-Y53 HydrophobicContact CD2-CE2 3.88Å; L49-Y53 HydrophobicContact CG-CD2 3.91Å; L49-Y53 HydrophobicContact CG-CE2 3.52Å; L49-Y53 WeakPolarHBondContact O-CD2 3.19Å; L49-Y53 PolarHBondContact O-N 3Å |
| 50 | Q | 97.9 | Very high | 97.9 | Very high | 129 Ų | 129 | 98.8 Ų | 98.8 | 60% | 0.603 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.2 | -41.1 | 177.5 | -171.9 | 165.7 | -14.3 | 0 | 0 | 111.4 | E46 D47 M52 Y53 T54 | E46-Q50 WeakPolarHBondContact O-CB 3.35Å; E46-Q50 PolarHBondContact O-N 2.96Å; D47-Q50 PolarHBondContact O-N 2.9Å; Q50-M52 VanDerWaalsContact C-N 3.32Å; Q50-M52 PolarHBondContact O-N 3.38Å; Q50-Y53 PolarHBondContact O-N 2.99Å; Q50-T54 WeakPolarHBondContact O-CG2 3.35Å; Q50-T54 PolarHBondContact O-N 3.36Å; Q50-T54 PolarHBondContact O-OG1 3.42Å |
| 51 | Q | 98.2 | Very high | 97.9 | Very high | 128 Ų | 128 | 100.9 Ų | 100.9 | 60% | 0.598 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -39.5 | 172.7 | -172.6 | -177.8 | 15.9 | 0 | 0 | 112.2 | D47 S48 L49 T54 T55 | D47-Q51 WeakPolarHBondContact O-CB 3.45Å; D47-Q51 PolarHBondContact O-N 2.91Å; S48-Q51 PolarHBondContact O-N 3.37Å; L49-Q51 VanDerWaalsContact C-N 3.34Å; L49-Q51 PolarHBondContact O-N 2.86Å; Q51-T54 WeakPolarHBondContact CA-OG1 3.41Å; Q51-T54 PolarHBondContact O-N 2.88Å; Q51-T54 PolarHBondContact O-OG1 2.86Å; Q51-T55 WeakPolarHBondContact O-CB 3.47Å; Q51-T55 VanDerWaalsContact O-CG2 3.32Å; Q51-T55 WeakPolarHBondContact O-CG2 3.43Å; Q51-T55 PolarHBondContact O-N 3.19Å; Q51-T55 PolarHBondContact O-OG1 2.89Å |
| 52 | M | 97.3 | Very high | 98 | Very high | 86 Ų | 86 | 99.2 Ų | 99.2 | 42% | 0.424 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 174.4 | -173 | -77.7 | -60.2 | 0 | 0 | 110.8 | S48 L49 Q50 T54 T55 N56 | S48-M52 PolarHBondContact O-N 3.23Å; L49-M52 HydrophobicContact CD1-CE 3.75Å; L49-M52 WeakPolarHBondContact O-CB 3.36Å; L49-M52 PolarHBondContact O-N 3.45Å; L49-M52 VanDerWaalsContact O-N 3.15Å; Q50-M52 VanDerWaalsContact C-N 3.32Å; Q50-M52 PolarHBondContact O-N 3.38Å; M52-T54 PolarHBondContact O-N 3.48Å; M52-T55 WeakPolarHBondContact CA-OG1 3.29Å; M52-T55 PolarHBondContact O-N 2.97Å; M52-T55 PolarHBondContact O-OG1 2.95Å; M52-N56 VanDerWaalsContact O-CB 3.29Å; M52-N56 WeakPolarHBondContact O-CB 3.24Å; M52-N56 PolarHBondContact O-N 3.26Å; M52-N56 HydrophobicContact SD-CB 4.47Å |
| 53 | Y | 98.3 | Very high | 98 | Very high | 146 Ų | 146 | 100 Ų | 100 | 57% | 0.573 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.6 | -43.7 | 175.1 | -78.1 | -61 | 0 | 0 | 0 | 113 | L49 Q50 N56 Q57 | L49-Y53 HydrophobicContact CD1-CD2 4.31Å; L49-Y53 HydrophobicContact CD1-CE2 3.77Å; L49-Y53 HydrophobicContact CD2-CE2 3.88Å; L49-Y53 HydrophobicContact CG-CD2 3.91Å; L49-Y53 HydrophobicContact CG-CE2 3.52Å; L49-Y53 WeakPolarHBondContact O-CD2 3.19Å; L49-Y53 PolarHBondContact O-N 3Å; Q50-Y53 PolarHBondContact O-N 2.99Å; Y53-N56 PolarHBondContact O-N 3.44Å; Y53-Q57 WeakPolarHBondContact O-CB 3.3Å; Y53-Q57 PolarHBondContact O-N 3.38Å |
| 54 | T | 98.2 | Very high | 98 | Very high | 69 Ų | 69 | 102.2 Ų | 102.2 | 42% | 0.423 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 178.5 | 56.9 | 0 | 0 | 0 | 0 | 111.6 | Q50 Q51 M52 N56 Q57 E58 | Q50-T54 WeakPolarHBondContact O-CG2 3.35Å; Q50-T54 PolarHBondContact O-N 3.36Å; Q50-T54 PolarHBondContact O-OG1 3.42Å; Q51-T54 WeakPolarHBondContact CA-OG1 3.41Å; Q51-T54 PolarHBondContact O-N 2.88Å; Q51-T54 PolarHBondContact O-OG1 2.86Å; M52-T54 PolarHBondContact O-N 3.48Å; T54-N56 VanDerWaalsContact C-N 3.34Å; T54-N56 PolarHBondContact O-N 3.34Å; T54-Q57 PolarHBondContact O-N 2.86Å; T54-E58 WeakPolarHBondContact O-CG 3.36Å; T54-E58 PolarHBondContact O-N 2.94Å |
| 55 | T | 98.1 | Very high | 98 | Very high | 53 Ų | 53 | 103.2 Ų | 103.2 | 33% | 0.325 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -37 | 178.2 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | Q51 M52 E58 Q59 | Q51-T55 WeakPolarHBondContact O-CB 3.47Å; Q51-T55 VanDerWaalsContact O-CG2 3.32Å; Q51-T55 WeakPolarHBondContact O-CG2 3.43Å; Q51-T55 PolarHBondContact O-N 3.19Å; Q51-T55 PolarHBondContact O-OG1 2.89Å; M52-T55 WeakPolarHBondContact CA-OG1 3.29Å; M52-T55 PolarHBondContact O-N 2.97Å; M52-T55 PolarHBondContact O-OG1 2.95Å; T55-E58 PolarHBondContact O-N 3.33Å; T55-Q59 VanDerWaalsContact O-CG 3.28Å; T55-Q59 WeakPolarHBondContact O-CG 3.21Å; T55-Q59 PolarHBondContact O-N 3.02Å |
| 56 | N | 98.3 | Very high | 98.1 | Very high | 72 Ų | 72 | 102.2 Ų | 102.2 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 173.9 | -171.1 | -96 | 0 | 0 | 0 | 111.5 | M52 Y53 T54 E58 Q59 L60 | M52-N56 VanDerWaalsContact O-CB 3.29Å; M52-N56 WeakPolarHBondContact O-CB 3.24Å; M52-N56 PolarHBondContact O-N 3.26Å; M52-N56 HydrophobicContact SD-CB 4.47Å; Y53-N56 PolarHBondContact O-N 3.44Å; T54-N56 VanDerWaalsContact C-N 3.34Å; T54-N56 PolarHBondContact O-N 3.34Å; N56-E58 PolarHBondContact O-N 3.29Å; N56-Q59 WeakPolarHBondContact O-CB 3.36Å; N56-Q59 PolarHBondContact O-N 3.47Å; N56-L60 WeakPolarHBondContact O-CG 3.34Å; N56-L60 PolarHBondContact O-N 2.89Å |
| 57 | Q | 98.3 | Very high | 98.1 | Very high | 106 Ų | 106 | 101 Ų | 101 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 176.9 | -171.3 | 64.2 | 27.3 | 0 | 0 | 112.2 | Y53 T54 L60 Q61 | Y53-Q57 WeakPolarHBondContact O-CB 3.3Å; Y53-Q57 PolarHBondContact O-N 3.38Å; T54-Q57 PolarHBondContact O-N 2.86Å; Q57-L60 PolarHBondContact O-N 3.42Å; Q57-Q61 WeakPolarHBondContact O-CG 3.29Å; Q57-Q61 PolarHBondContact O-N 2.86Å; Q57-Q61 VanDerWaalsContact O-N 3.1Å |
| 58 | E | 97.7 | Very high | 98.1 | Very high | 121 Ų | 121 | 101.8 Ų | 101.8 | 57% | 0.565 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.1 | -43.2 | 174.8 | -71.2 | 171.9 | 179.3 | 0 | 0 | 111.6 | T54 T55 N56 L60 Q61 E62 | T54-E58 WeakPolarHBondContact O-CG 3.36Å; T54-E58 PolarHBondContact O-N 2.94Å; T55-E58 PolarHBondContact O-N 3.33Å; N56-E58 PolarHBondContact O-N 3.29Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 3.47Å; E58-Q61 WeakPolarHBondContact O-CB 3.48Å; E58-Q61 PolarHBondContact O-N 3.04Å; E58-E62 PolarHBondContact O-N 2.96Å |
| 59 | Q | 98.1 | Very high | 98.1 | Very high | 110 Ų | 110 | 102.9 Ų | 102.9 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 176 | -73.7 | 173.3 | -9.9 | 0 | 0 | 112.1 | T55 N56 Q61 E62 I63 | T55-Q59 VanDerWaalsContact O-CG 3.28Å; T55-Q59 WeakPolarHBondContact O-CG 3.21Å; T55-Q59 PolarHBondContact O-N 3.02Å; N56-Q59 WeakPolarHBondContact O-CB 3.36Å; N56-Q59 PolarHBondContact O-N 3.47Å; Q59-Q61 VanDerWaalsContact C-N 3.33Å; Q59-Q61 PolarHBondContact O-N 3.43Å; Q59-E62 PolarHBondContact O-N 3.27Å; Q59-I63 VanDerWaalsContact O-CG1 3.27Å; Q59-I63 WeakPolarHBondContact O-CG1 3.24Å; Q59-I63 PolarHBondContact O-N 3Å |
| 60 | L | 98.4 | Very high | 98.2 | Very high | 87 Ų | 87 | 103.4 Ų | 103.4 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 175.6 | -72.4 | 173.1 | 0 | 0 | 0 | 111.6 | N56 Q57 E58 I63 E64 | N56-L60 WeakPolarHBondContact O-CG 3.34Å; N56-L60 PolarHBondContact O-N 2.89Å; Q57-L60 PolarHBondContact O-N 3.42Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 3.47Å; L60-I63 PolarHBondContact O-N 3.05Å; L60-E64 PolarHBondContact O-N 2.91Å |
| 61 | Q | 98 | Very high | 98.2 | Very high | 113 Ų | 113 | 100.7 Ų | 100.7 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 175.2 | -69.5 | 174.4 | -5.7 | 0 | 0 | 112.1 | Q57 E58 Q59 E64 Y65 | Q57-Q61 WeakPolarHBondContact O-CG 3.29Å; Q57-Q61 PolarHBondContact O-N 2.86Å; Q57-Q61 VanDerWaalsContact O-N 3.1Å; E58-Q61 WeakPolarHBondContact O-CB 3.48Å; E58-Q61 PolarHBondContact O-N 3.04Å; Q59-Q61 VanDerWaalsContact C-N 3.33Å; Q59-Q61 PolarHBondContact O-N 3.43Å; Q61-E64 PolarHBondContact O-N 2.91Å; Q61-Y65 PolarHBondContact O-N 3.38Å |
| 62 | E | 98.2 | Very high | 98.2 | Very high | 121 Ų | 121 | 100 Ų | 100 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.6 | -45 | 175.3 | -175.5 | 177.5 | -175.8 | 0 | 0 | 111.5 | E58 Q59 E64 Y65 L66 | E58-E62 PolarHBondContact O-N 2.96Å; Q59-E62 PolarHBondContact O-N 3.27Å; E62-E64 VanDerWaalsContact C-N 3.3Å; E62-E64 PolarHBondContact O-N 2.95Å; E62-Y65 PolarHBondContact O-N 3.43Å; E62-L66 HydrophobicContact CG-CD1 4.01Å; E62-L66 HydrophobicContact CG-CG 4.41Å; E62-L66 WeakPolarHBondContact O-CB 3.49Å; E62-L66 WeakPolarHBondContact O-CG 3.49Å; E62-L66 PolarHBondContact O-N 2.86Å |
| 63 | I | 97.9 | Very high | 98.2 | Very high | 101 Ų | 101 | 100.8 Ų | 100.8 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 175.9 | -69.7 | 165.1 | 0 | 0 | 0 | 110.2 | Q59 L60 L66 T67 | Q59-I63 VanDerWaalsContact O-CG1 3.27Å; Q59-I63 WeakPolarHBondContact O-CG1 3.24Å; Q59-I63 PolarHBondContact O-N 3Å; L60-I63 PolarHBondContact O-N 3.05Å; I63-L66 PolarHBondContact O-N 3.41Å; I63-T67 VanDerWaalsContact O-CB 3.28Å; I63-T67 WeakPolarHBondContact O-CB 3.33Å; I63-T67 PolarHBondContact O-N 3.02Å; I63-T67 PolarHBondContact O-OG1 3.43Å |
| 64 | E | 98.4 | Very high | 98.2 | Very high | 103 Ų | 103 | 99.8 Ų | 99.8 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63 | -44.4 | 178.5 | -167.2 | -171.3 | 161.1 | 0 | 0 | 111.7 | L60 Q61 E62 T67 K68 | L60-E64 PolarHBondContact O-N 2.91Å; Q61-E64 PolarHBondContact O-N 2.91Å; E62-E64 VanDerWaalsContact C-N 3.3Å; E62-E64 PolarHBondContact O-N 2.95Å; E64-T67 PolarHBondContact O-N 2.97Å; E64-K68 WeakPolarHBondContact O-CG 3.19Å; E64-K68 PolarHBondContact O-N 2.98Å; E64-K68 WeakPolarHBondContact OE1-CE 3.33Å; E64-K68 IonicContact OE1-NZ 2.65Å; E64-K68 PolarHBondContact OE1-NZ 3.46Å |
| 65 | Y | 98.5 | Very high | 98.2 | Very high | 149 Ų | 149 | 100.9 Ų | 100.9 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.5 | -47.6 | 176.8 | 176.5 | -97.1 | 0 | 0 | 0 | 112.1 | Q61 E62 T67 K68 Q69 | Q61-Y65 PolarHBondContact O-N 3.38Å; E62-Y65 PolarHBondContact O-N 3.43Å; Y65-T67 VanDerWaalsContact C-N 3.3Å; Y65-T67 PolarHBondContact O-N 2.88Å; Y65-K68 PolarHBondContact O-N 2.85Å; Y65-Q69 PolarHBondContact O-N 3.24Å |
| 66 | L | 98.6 | Very high | 98.2 | Very high | 78 Ų | 78 | 102.1 Ų | 102.1 | 41% | 0.408 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 177.3 | -70.1 | 173.9 | 0 | 0 | 0 | 111.4 | E62 I63 Q69 V70 | E62-L66 HydrophobicContact CG-CD1 4.01Å; E62-L66 HydrophobicContact CG-CG 4.41Å; E62-L66 WeakPolarHBondContact O-CB 3.49Å; E62-L66 WeakPolarHBondContact O-CG 3.49Å; E62-L66 PolarHBondContact O-N 2.86Å; I63-L66 PolarHBondContact O-N 3.41Å; L66-Q69 PolarHBondContact O-N 2.81Å; L66-V70 WeakPolarHBondContact O-CG2 3.49Å; L66-V70 PolarHBondContact O-N 2.7Å |
| 67 | T | 97.9 | Very high | 98.2 | Very high | 85 Ų | 85 | 103.6 Ų | 103.6 | 52% | 0.521 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 175.8 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | I63 E64 Y65 Q69 V70 E71 | I63-T67 VanDerWaalsContact O-CB 3.28Å; I63-T67 WeakPolarHBondContact O-CB 3.33Å; I63-T67 PolarHBondContact O-N 3.02Å; I63-T67 PolarHBondContact O-OG1 3.43Å; E64-T67 PolarHBondContact O-N 2.97Å; Y65-T67 VanDerWaalsContact C-N 3.3Å; Y65-T67 PolarHBondContact O-N 2.88Å; T67-Q69 VanDerWaalsContact C-N 3.33Å; T67-Q69 PolarHBondContact O-N 3.47Å; T67-V70 PolarHBondContact O-N 2.92Å; T67-E71 PolarHBondContact O-N 2.8Å |
| 68 | K | 98.5 | Very high | 98.2 | Very high | 126 Ų | 126 | 102.5 Ų | 102.5 | 55% | 0.548 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 174.6 | -72.6 | 173 | -176.4 | 168 | 0 | 111.9 | E64 Y65 E71 L72 | E64-K68 WeakPolarHBondContact O-CG 3.19Å; E64-K68 PolarHBondContact O-N 2.98Å; E64-K68 WeakPolarHBondContact OE1-CE 3.33Å; E64-K68 IonicContact OE1-NZ 2.65Å; E64-K68 PolarHBondContact OE1-NZ 3.46Å; Y65-K68 PolarHBondContact O-N 2.85Å; K68-E71 PolarHBondContact O-N 3.22Å; K68-L72 PolarHBondContact O-N 2.76Å |
| 69 | Q | 98.4 | Very high | 98.2 | Very high | 93 Ų | 93 | 102 Ų | 102 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 177.2 | -171.1 | 176.5 | 39.6 | 0 | 0 | 111.9 | Y65 L66 T67 L72 L73 | Y65-Q69 PolarHBondContact O-N 3.24Å; L66-Q69 PolarHBondContact O-N 2.81Å; T67-Q69 VanDerWaalsContact C-N 3.33Å; T67-Q69 PolarHBondContact O-N 3.47Å; Q69-L72 PolarHBondContact O-N 3.49Å; Q69-L73 WeakPolarHBondContact O-CG 3.48Å; Q69-L73 PolarHBondContact O-N 3.01Å |
| 70 | V | 98.2 | Very high | 98.2 | Very high | 96 Ų | 96 | 100.7 Ų | 100.7 | 58% | 0.582 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.2 | -41.3 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | L66 T67 L72 L73 R74 | L66-V70 WeakPolarHBondContact O-CG2 3.49Å; L66-V70 PolarHBondContact O-N 2.7Å; T67-V70 PolarHBondContact O-N 2.92Å; V70-L72 PolarHBondContact O-N 3.09Å; V70-L73 PolarHBondContact O-N 3.08Å; V70-R74 PolarHBondContact O-N 3.34Å |
| 71 | E | 98.2 | Very high | 98.2 | Very high | 72 Ų | 72 | 99 Ų | 99 | 34% | 0.336 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -40.3 | 177.7 | -176.5 | 54.9 | -151.7 | 0 | 0 | 111.7 | T67 K68 L73 R74 Q75 | T67-E71 PolarHBondContact O-N 2.8Å; K68-E71 PolarHBondContact O-N 3.22Å; E71-L73 PolarHBondContact O-N 3.47Å; E71-R74 WeakPolarHBondContact O-CB 3.31Å; E71-R74 PolarHBondContact O-N 3.41Å; E71-R74 IonicContact OE1-CZ 3.01Å; E71-R74 IonicContact OE1-NE 3.38Å; E71-R74 PolarHBondContact OE1-NE 3.23Å; E71-R74 IonicContact OE1-NH2 3.19Å; E71-R74 PolarHBondContact OE1-NH2 3.41Å; E71-R74 IonicContact OE2-CZ 3.33Å; E71-R74 IonicContact OE2-NE 3.05Å; E71-R74 PolarHBondContact OE2-NE 3.24Å; E71-R74 IonicContact OE2-NH2 3.99Å; E71-Q75 WeakPolarHBondContact O-CG 3.45Å; E71-Q75 PolarHBondContact O-N 3.31Å; E71-Q75 PolarHBondContact OE1-NE2 3.42Å |
| 72 | L | 98.3 | Very high | 98.2 | Very high | 114 Ų | 114 | 98.4 Ų | 98.4 | 60% | 0.597 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 173.5 | -179 | 63.1 | 0 | 0 | 0 | 111.9 | K68 Q69 V70 R74 Q75 M76 | K68-L72 PolarHBondContact O-N 2.76Å; Q69-L72 PolarHBondContact O-N 3.49Å; V70-L72 PolarHBondContact O-N 3.09Å; L72-R74 VanDerWaalsContact C-N 3.31Å; L72-R74 PolarHBondContact O-N 3.35Å; L72-Q75 PolarHBondContact O-N 2.99Å; L72-M76 WeakPolarHBondContact O-CB 3.46Å; L72-M76 PolarHBondContact O-N 3.16Å |
| 73 | L | 98.3 | Very high | 98.2 | Very high | 101 Ų | 101 | 97.2 Ų | 97.2 | 53% | 0.529 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 175.1 | -72.4 | 172.3 | 0 | 0 | 0 | 111.7 | Q69 V70 E71 M76 N77 | Q69-L73 WeakPolarHBondContact O-CG 3.48Å; Q69-L73 PolarHBondContact O-N 3.01Å; V70-L73 PolarHBondContact O-N 3.08Å; E71-L73 PolarHBondContact O-N 3.47Å; L73-M76 PolarHBondContact O-N 3.18Å; L73-N77 WeakPolarHBondContact O-CB 3.44Å; L73-N77 PolarHBondContact O-N 2.95Å |
| 74 | R | 98.3 | Very high | 98.2 | Very high | 125 Ų | 125 | 99.9 Ų | 99.9 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 174.3 | -166 | -170.6 | 73.2 | 73.7 | 3 | 110.8 | V70 E71 L72 N77 E78 | V70-R74 PolarHBondContact O-N 3.34Å; E71-R74 WeakPolarHBondContact O-CB 3.31Å; E71-R74 PolarHBondContact O-N 3.41Å; E71-R74 IonicContact OE1-CZ 3.01Å; E71-R74 IonicContact OE1-NE 3.38Å; E71-R74 PolarHBondContact OE1-NE 3.23Å; E71-R74 IonicContact OE1-NH2 3.19Å; E71-R74 PolarHBondContact OE1-NH2 3.41Å; E71-R74 IonicContact OE2-CZ 3.33Å; E71-R74 IonicContact OE2-NE 3.05Å; E71-R74 PolarHBondContact OE2-NE 3.24Å; E71-R74 IonicContact OE2-NH2 3.99Å; L72-R74 VanDerWaalsContact C-N 3.31Å; L72-R74 PolarHBondContact O-N 3.35Å; R74-N77 PolarHBondContact O-N 3.47Å; R74-E78 IonicContact CZ-OE2 2.75Å; R74-E78 IonicContact NH1-OE2 3.95Å; R74-E78 PolarHBondContact NH1-OE2 2.8Å; R74-E78 WeakPolarHBondContact O-CB 3.36Å; R74-E78 PolarHBondContact O-N 3.4Å |
| 75 | Q | 98 | Very high | 98.2 | Very high | 93 Ų | 93 | 101.2 Ų | 101.2 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -46.3 | 177.1 | -70.4 | 173 | 12 | 0 | 0 | 111.8 | E71 L72 N77 E78 Q79 | E71-Q75 WeakPolarHBondContact O-CG 3.45Å; E71-Q75 PolarHBondContact O-N 3.31Å; E71-Q75 PolarHBondContact OE1-NE2 3.42Å; L72-Q75 PolarHBondContact O-N 2.99Å; Q75-N77 VanDerWaalsContact C-N 3.33Å; Q75-N77 PolarHBondContact O-N 3.29Å; Q75-E78 PolarHBondContact O-N 2.82Å; Q75-Q79 WeakPolarHBondContact O-CG 3.25Å; Q75-Q79 PolarHBondContact O-N 2.92Å |
| 76 | M | 97.9 | Very high | 98.2 | Very high | 78 Ų | 78 | 99.6 Ų | 99.6 | 38% | 0.384 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 176.3 | -176.9 | -129.5 | 67.7 | 0 | 0 | 111.4 | L72 L73 E78 Q79 H80 | L72-M76 WeakPolarHBondContact O-CB 3.46Å; L72-M76 PolarHBondContact O-N 3.16Å; L73-M76 PolarHBondContact O-N 3.18Å; M76-E78 VanDerWaalsContact C-N 3.31Å; M76-E78 PolarHBondContact O-N 3.34Å; M76-Q79 PolarHBondContact O-N 2.94Å; M76-H80 WeakPolarHBondContact CE-CE1 3.39Å; M76-H80 WeakPolarHBondContact CE-ND1 3.43Å; M76-H80 PolarHBondContact O-CD2 2.88Å; M76-H80 VanDerWaalsContact O-CD2 3.28Å; M76-H80 PolarHBondContact O-N 3.44Å; M76-H80 PolarHBondContact SD-CE1 3.04Å |
| 77 | N | 97.6 | Very high | 98.2 | Very high | 104 Ų | 104 | 101.1 Ų | 101.1 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65 | -37.9 | 178.6 | -165.7 | 25.4 | 0 | 0 | 0 | 111.6 | L73 R74 Q75 Q79 H80 A81 | L73-N77 WeakPolarHBondContact O-CB 3.44Å; L73-N77 PolarHBondContact O-N 2.95Å; R74-N77 PolarHBondContact O-N 3.47Å; Q75-N77 VanDerWaalsContact C-N 3.33Å; Q75-N77 PolarHBondContact O-N 3.29Å; N77-Q79 VanDerWaalsContact C-N 3.35Å; N77-H80 PolarHBondContact O-N 3.04Å; N77-A81 PolarHBondContact O-N 3.43Å |
| 78 | E | 98.1 | Very high | 98.2 | Very high | 82 Ų | 82 | 101 Ų | 101 | 38% | 0.383 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 174.4 | -166.1 | 176.4 | 146.9 | 0 | 0 | 112.1 | R74 Q75 M76 A81 K82 | R74-E78 IonicContact CZ-OE2 2.75Å; R74-E78 IonicContact NH1-OE2 3.95Å; R74-E78 PolarHBondContact NH1-OE2 2.8Å; R74-E78 WeakPolarHBondContact O-CB 3.36Å; R74-E78 PolarHBondContact O-N 3.4Å; Q75-E78 PolarHBondContact O-N 2.82Å; M76-E78 VanDerWaalsContact C-N 3.31Å; M76-E78 PolarHBondContact O-N 3.34Å; E78-A81 PolarHBondContact O-N 2.97Å; E78-K82 WeakPolarHBondContact O-CG 3.3Å; E78-K82 PolarHBondContact O-N 3.46Å; E78-K82 VanDerWaalsContact O-N 3.13Å; E78-K82 IonicContact OE1-NZ 3.17Å; E78-K82 PolarHBondContact OE1-NZ 2.85Å |
| 79 | Q | 98.2 | Very high | 98.2 | Very high | 110 Ų | 110 | 97 Ų | 97 | 51% | 0.514 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 171.8 | -63.5 | -58.1 | -29.3 | 0 | 0 | 111.7 | Q75 M76 N77 A81 K82 V83 | Q75-Q79 WeakPolarHBondContact O-CG 3.25Å; Q75-Q79 PolarHBondContact O-N 2.92Å; M76-Q79 PolarHBondContact O-N 2.94Å; N77-Q79 VanDerWaalsContact C-N 3.35Å; Q79-A81 VanDerWaalsContact C-N 3.34Å; Q79-A81 PolarHBondContact O-N 3.21Å; Q79-K82 PolarHBondContact O-N 3.14Å; Q79-V83 WeakPolarHBondContact O-CG2 3.38Å; Q79-V83 PolarHBondContact O-N 3.34Å |
| 80 | H | 98.1 | Very high | 98.1 | Very high | 83 Ų | 83 | 94.8 Ų | 94.8 | 38% | 0.384 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 175.8 | -70.5 | -170.7 | 0 | 0 | 0 | 111.5 | M76 N77 K82 V83 Y84 | M76-H80 WeakPolarHBondContact CE-CE1 3.39Å; M76-H80 WeakPolarHBondContact CE-ND1 3.43Å; M76-H80 PolarHBondContact O-CD2 2.88Å; M76-H80 VanDerWaalsContact O-CD2 3.28Å; M76-H80 PolarHBondContact O-N 3.44Å; M76-H80 PolarHBondContact SD-CE1 3.04Å; N77-H80 PolarHBondContact O-N 3.04Å; H80-K82 VanDerWaalsContact C-N 3.34Å; H80-K82 PolarHBondContact O-N 3.43Å; H80-V83 PolarHBondContact O-N 3.37Å; H80-Y84 HydrophobicContact CB-CE2 4.15Å; H80-Y84 WeakPolarHBondContact O-CD2 3.4Å; H80-Y84 PolarHBondContact O-N 3.47Å |
| 81 | A | 97.9 | Very high | 98.1 | Very high | 53 Ų | 53 | 92 Ų | 92 | 44% | 0.438 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | N77 E78 Q79 V83 Y84 E85 | N77-A81 PolarHBondContact O-N 3.43Å; E78-A81 PolarHBondContact O-N 2.97Å; Q79-A81 VanDerWaalsContact C-N 3.34Å; Q79-A81 PolarHBondContact O-N 3.21Å; A81-V83 PolarHBondContact O-N 2.88Å; A81-Y84 PolarHBondContact O-N 2.78Å; A81-E85 PolarHBondContact O-N 3.49Å |
| 82 | K | 98.4 | Very high | 98.1 | Very high | 99 Ų | 99 | 94.2 Ų | 94.2 | 43% | 0.43 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.1 | -71 | 170.2 | -174.1 | 167.3 | 0 | 112.5 | E78 Q79 H80 E85 Q86 | E78-K82 WeakPolarHBondContact O-CG 3.3Å; E78-K82 PolarHBondContact O-N 3.46Å; E78-K82 VanDerWaalsContact O-N 3.13Å; E78-K82 IonicContact OE1-NZ 3.17Å; E78-K82 PolarHBondContact OE1-NZ 2.85Å; Q79-K82 PolarHBondContact O-N 3.14Å; H80-K82 VanDerWaalsContact C-N 3.34Å; H80-K82 PolarHBondContact O-N 3.43Å; K82-E85 PolarHBondContact O-N 2.87Å; K82-Q86 WeakPolarHBondContact O-CB 3.45Å; K82-Q86 PolarHBondContact O-N 3.34Å |
| 83 | V | 98.5 | Very high | 98.1 | Very high | 96 Ų | 96 | 93.9 Ų | 93.9 | 58% | 0.582 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.6 | -40.9 | 176.8 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | Q79 H80 A81 Q86 L87 | Q79-V83 WeakPolarHBondContact O-CG2 3.38Å; Q79-V83 PolarHBondContact O-N 3.34Å; H80-V83 PolarHBondContact O-N 3.37Å; A81-V83 PolarHBondContact O-N 2.88Å; V83-Q86 PolarHBondContact O-N 2.98Å; V83-L87 WeakPolarHBondContact O-CB 3.47Å; V83-L87 PolarHBondContact O-N 3.35Å |
| 84 | Y | 98.4 | Very high | 98.1 | Very high | 158 Ų | 158 | 94.8 Ų | 94.8 | 62% | 0.62 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.1 | -41.6 | 176.1 | -69.5 | -48.1 | 0 | 0 | 0 | 112.4 | H80 A81 L87 D88 | H80-Y84 HydrophobicContact CB-CE2 4.15Å; H80-Y84 WeakPolarHBondContact O-CD2 3.4Å; H80-Y84 PolarHBondContact O-N 3.47Å; A81-Y84 PolarHBondContact O-N 2.78Å; Y84-L87 PolarHBondContact O-N 3.43Å; Y84-D88 WeakPolarHBondContact O-CB 3.28Å; Y84-D88 PolarHBondContact O-N 3.03Å |
| 85 | E | 97.6 | Very high | 98.1 | Very high | 131 Ų | 131 | 94.5 Ų | 94.5 | 61% | 0.612 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.6 | -45.6 | 174.7 | -174.9 | 176.3 | -172.5 | 0 | 0 | 111.4 | A81 K82 L87 D88 V89 | A81-E85 PolarHBondContact O-N 3.49Å; K82-E85 PolarHBondContact O-N 2.87Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-L87 PolarHBondContact O-N 3.41Å; E85-D88 PolarHBondContact O-N 2.9Å; E85-V89 WeakPolarHBondContact O-CG2 3.4Å; E85-V89 PolarHBondContact O-N 3.43Å |
| 86 | Q | 98.6 | Very high | 98.1 | Very high | 115 Ų | 115 | 96.7 Ų | 96.7 | 54% | 0.537 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 176 | -174.4 | 61.9 | 50.8 | 0 | 0 | 111.8 | K82 V83 D88 V89 T90 | K82-Q86 WeakPolarHBondContact O-CB 3.45Å; K82-Q86 PolarHBondContact O-N 3.34Å; V83-Q86 PolarHBondContact O-N 2.98Å; Q86-D88 VanDerWaalsContact C-N 3.34Å; Q86-D88 PolarHBondContact O-N 2.91Å; Q86-V89 PolarHBondContact O-N 3.25Å; Q86-T90 WeakPolarHBondContact O-CG2 3.28Å; Q86-T90 PolarHBondContact O-N 3.2Å; Q86-T90 PolarHBondContact O-OG1 2.91Å |
| 87 | L | 98.5 | Very high | 98.1 | Very high | 109 Ų | 109 | 96.4 Ų | 96.4 | 57% | 0.571 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.9 | -43.6 | 177.4 | -176 | 66 | 0 | 0 | 0 | 111 | V83 Y84 E85 T90 A91 | V83-L87 WeakPolarHBondContact O-CB 3.47Å; V83-L87 PolarHBondContact O-N 3.35Å; Y84-L87 PolarHBondContact O-N 3.43Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-L87 PolarHBondContact O-N 3.41Å; L87-T90 WeakPolarHBondContact CA-OG1 3.3Å; L87-T90 PolarHBondContact O-N 3.34Å; L87-T90 PolarHBondContact O-OG1 3.19Å; L87-A91 WeakPolarHBondContact O-CB 3.48Å; L87-A91 PolarHBondContact O-N 3.03Å |
| 88 | D | 98.2 | Very high | 98.1 | Very high | 82 Ų | 82 | 96.1 Ų | 96.1 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 178.1 | -171.1 | 27.8 | 0 | 0 | 0 | 111.8 | Y84 E85 Q86 A91 R92 | Y84-D88 WeakPolarHBondContact O-CB 3.28Å; Y84-D88 PolarHBondContact O-N 3.03Å; E85-D88 PolarHBondContact O-N 2.9Å; Q86-D88 VanDerWaalsContact C-N 3.34Å; Q86-D88 PolarHBondContact O-N 2.91Å; D88-A91 PolarHBondContact O-N 2.73Å; D88-R92 WeakPolarHBondContact O-CB 3.41Å; D88-R92 WeakPolarHBondContact O-CG 3.4Å; D88-R92 PolarHBondContact O-N 3.43Å; D88-R92 PolarHBondContact O-NE 3.4Å; D88-R92 IonicContact OD1-CZ 2.78Å; D88-R92 IonicContact OD1-NE 3.81Å; D88-R92 PolarHBondContact OD1-NE 2.89Å; D88-R92 IonicContact OD1-NH2 3.82Å; D88-R92 IonicContact OD2-CZ 2.76Å; D88-R92 IonicContact OD2-NE 2.62Å; D88-R92 PolarHBondContact OD2-NE 3.16Å; D88-R92 IonicContact OD2-NH2 3.34Å; D88-R92 PolarHBondContact OD2-NH2 3Å |
| 89 | V | 98.1 | Very high | 98.1 | Very high | 42 Ų | 42 | 98.8 Ų | 98.8 | 26% | 0.255 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.5 | -50.4 | 171.8 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | E85 Q86 A91 R92 E93 | E85-V89 WeakPolarHBondContact O-CG2 3.4Å; E85-V89 PolarHBondContact O-N 3.43Å; Q86-V89 PolarHBondContact O-N 3.25Å; V89-A91 VanDerWaalsContact C-N 3.32Å; V89-A91 PolarHBondContact O-N 3.31Å; V89-R92 PolarHBondContact O-N 2.94Å; V89-E93 HydrophobicContact CG1-CG 4.47Å; V89-E93 WeakPolarHBondContact CG1-OE1 3.39Å; V89-E93 WeakPolarHBondContact O-CG 3.35Å; V89-E93 PolarHBondContact O-N 2.86Å |
| 90 | T | 97.6 | Very high | 98.2 | Very high | 47 Ų | 47 | 100.3 Ų | 100.3 | 29% | 0.288 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -35.8 | -179.9 | 59.3 | 0 | 0 | 0 | 0 | 112.9 | Q86 L87 E93 L94 | Q86-T90 WeakPolarHBondContact O-CG2 3.28Å; Q86-T90 PolarHBondContact O-N 3.2Å; Q86-T90 PolarHBondContact O-OG1 2.91Å; L87-T90 WeakPolarHBondContact CA-OG1 3.3Å; L87-T90 PolarHBondContact O-N 3.34Å; L87-T90 PolarHBondContact O-OG1 3.19Å; T90-E93 PolarHBondContact O-N 3.11Å; T90-L94 WeakPolarHBondContact O-CB 3.38Å; T90-L94 VanDerWaalsContact O-CG 3.24Å; T90-L94 WeakPolarHBondContact O-CG 3.45Å; T90-L94 PolarHBondContact O-N 3.49Å |
| 91 | A | 97.4 | Very high | 98.2 | Very high | 38 Ų | 38 | 102 Ų | 102 | 31% | 0.314 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L87 D88 V89 L94 E95 | L87-A91 WeakPolarHBondContact O-CB 3.48Å; L87-A91 PolarHBondContact O-N 3.03Å; D88-A91 PolarHBondContact O-N 2.73Å; V89-A91 VanDerWaalsContact C-N 3.32Å; V89-A91 PolarHBondContact O-N 3.31Å; A91-L94 PolarHBondContact O-N 2.92Å; A91-E95 WeakPolarHBondContact O-CG 3.35Å; A91-E95 PolarHBondContact O-N 3.1Å |
| 92 | R | 97.9 | Very high | 98.2 | Very high | 118 Ų | 118 | 102.5 Ų | 102.5 | 45% | 0.445 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 176.5 | -72.8 | -175.4 | -104.5 | 111.4 | -16.4 | 112.6 | D88 V89 L94 E95 E96 | D88-R92 WeakPolarHBondContact O-CB 3.41Å; D88-R92 WeakPolarHBondContact O-CG 3.4Å; D88-R92 PolarHBondContact O-N 3.43Å; D88-R92 PolarHBondContact O-NE 3.4Å; D88-R92 IonicContact OD1-CZ 2.78Å; D88-R92 IonicContact OD1-NE 3.81Å; D88-R92 PolarHBondContact OD1-NE 2.89Å; D88-R92 IonicContact OD1-NH2 3.82Å; D88-R92 IonicContact OD2-CZ 2.76Å; D88-R92 IonicContact OD2-NE 2.62Å; D88-R92 PolarHBondContact OD2-NE 3.16Å; D88-R92 IonicContact OD2-NH2 3.34Å; D88-R92 PolarHBondContact OD2-NH2 3Å; V89-R92 PolarHBondContact O-N 2.94Å; R92-L94 PolarHBondContact O-N 3.28Å; R92-E95 PolarHBondContact O-N 3.14Å; R92-E96 PolarHBondContact O-N 3.38Å |
| 93 | E | 98.4 | Very high | 98.2 | Very high | 107 Ų | 107 | 100.4 Ų | 100.4 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 174.5 | -71.1 | 172.6 | -179.2 | 0 | 0 | 112.1 | V89 T90 E96 T97 | V89-E93 HydrophobicContact CG1-CG 4.47Å; V89-E93 WeakPolarHBondContact CG1-OE1 3.39Å; V89-E93 WeakPolarHBondContact O-CG 3.35Å; V89-E93 PolarHBondContact O-N 2.86Å; T90-E93 PolarHBondContact O-N 3.11Å; E93-E96 PolarHBondContact O-N 2.96Å; E93-T97 VanDerWaalsContact O-CG2 3.29Å; E93-T97 WeakPolarHBondContact O-CG2 3.4Å; E93-T97 PolarHBondContact O-N 3.5Å; E93-T97 PolarHBondContact O-OG1 2.97Å |
| 94 | L | 97.9 | Very high | 98.2 | Very high | 120 Ų | 120 | 100.1 Ų | 100.1 | 63% | 0.628 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.2 | -38.5 | 175.4 | -73 | 173.8 | 0 | 0 | 0 | 112.1 | T90 A91 R92 T97 N98 | T90-L94 WeakPolarHBondContact O-CB 3.38Å; T90-L94 VanDerWaalsContact O-CG 3.24Å; T90-L94 WeakPolarHBondContact O-CG 3.45Å; T90-L94 PolarHBondContact O-N 3.49Å; A91-L94 PolarHBondContact O-N 2.92Å; R92-L94 PolarHBondContact O-N 3.28Å; L94-T97 WeakPolarHBondContact CA-OG1 3.49Å; L94-T97 PolarHBondContact O-OG1 3.3Å; L94-N98 WeakPolarHBondContact O-CB 3.4Å; L94-N98 PolarHBondContact O-N 2.99Å |
| 95 | E | 98.1 | Very high | 98.2 | Very high | 119 Ų | 119 | 95.8 Ų | 95.8 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.8 | -44.1 | 174.1 | -74.5 | 177.1 | -177.7 | 0 | 0 | 111.9 | A91 R92 N98 Q99 | A91-E95 WeakPolarHBondContact O-CG 3.35Å; A91-E95 PolarHBondContact O-N 3.1Å; R92-E95 PolarHBondContact O-N 3.14Å; E95-N98 PolarHBondContact O-N 2.91Å; E95-Q99 VanDerWaalsContact O-CG 3.3Å; E95-Q99 WeakPolarHBondContact O-CG 3.38Å; E95-Q99 PolarHBondContact O-N 3.32Å |
| 96 | E | 98.4 | Very high | 98.2 | Very high | 139 Ų | 139 | 95.5 Ų | 95.5 | 65% | 0.65 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.6 | -47.8 | 177.7 | -174 | -177.4 | 171.4 | 0 | 0 | 111.5 | R92 E93 N98 Q99 K100 | R92-E96 PolarHBondContact O-N 3.38Å; E93-E96 PolarHBondContact O-N 2.96Å; E96-N98 VanDerWaalsContact C-N 3.3Å; E96-N98 PolarHBondContact O-N 2.93Å; E96-Q99 PolarHBondContact O-N 2.88Å; E96-K100 WeakPolarHBondContact O-CB 3.32Å; E96-K100 PolarHBondContact O-N 3.23Å |
| 97 | T | 98.2 | Very high | 98.2 | Very high | 73 Ų | 73 | 92.5 Ų | 92.5 | 45% | 0.448 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 177.4 | 54.4 | 0 | 0 | 0 | 0 | 111.8 | E93 L94 K100 L101 | E93-T97 VanDerWaalsContact O-CG2 3.29Å; E93-T97 WeakPolarHBondContact O-CG2 3.4Å; E93-T97 PolarHBondContact O-N 3.5Å; E93-T97 PolarHBondContact O-OG1 2.97Å; L94-T97 WeakPolarHBondContact CA-OG1 3.49Å; L94-T97 PolarHBondContact O-OG1 3.3Å; T97-K100 PolarHBondContact O-N 2.94Å; T97-L101 VanDerWaalsContact O-CG 3.3Å; T97-L101 WeakPolarHBondContact O-CG 3.5Å; T97-L101 PolarHBondContact O-N 2.98Å |
| 98 | N | 98.1 | Very high | 98.2 | Very high | 98 Ų | 98 | 90.1 Ų | 90.1 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -47.7 | 174.7 | -168.8 | -27 | 0 | 0 | 0 | 111.6 | L94 E95 E96 K100 L101 V102 | L94-N98 WeakPolarHBondContact O-CB 3.4Å; L94-N98 PolarHBondContact O-N 2.99Å; E95-N98 PolarHBondContact O-N 2.91Å; E96-N98 VanDerWaalsContact C-N 3.3Å; E96-N98 PolarHBondContact O-N 2.93Å; N98-K100 VanDerWaalsContact C-N 3.28Å; N98-K100 PolarHBondContact O-N 2.69Å; N98-L101 PolarHBondContact O-N 3.49Å; N98-V102 WeakPolarHBondContact O-CG2 3.41Å; N98-V102 PolarHBondContact O-N 2.88Å |
| 99 | Q | 98.3 | Very high | 98.2 | Very high | 137 Ų | 137 | 91.6 Ų | 91.6 | 64% | 0.64 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57.2 | -42.4 | 175.7 | -73.1 | 176.8 | 26.7 | 0 | 0 | 111.9 | E95 E96 V102 A103 | E95-Q99 VanDerWaalsContact O-CG 3.3Å; E95-Q99 WeakPolarHBondContact O-CG 3.38Å; E95-Q99 PolarHBondContact O-N 3.32Å; E96-Q99 PolarHBondContact O-N 2.88Å; Q99-V102 PolarHBondContact O-N 3.48Å; Q99-A103 WeakPolarHBondContact O-CB 3.48Å; Q99-A103 PolarHBondContact O-N 3.32Å |
| 100 | K | 98.5 | Very high | 98.2 | Very high | 143 Ų | 143 | 96 Ų | 96 | 62% | 0.622 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.7 | -48.4 | 175.5 | -174.4 | 177.9 | 180 | 177.9 | 0 | 112 | E96 T97 N98 V102 A103 D104 | E96-K100 WeakPolarHBondContact O-CB 3.32Å; E96-K100 PolarHBondContact O-N 3.23Å; T97-K100 PolarHBondContact O-N 2.94Å; N98-K100 VanDerWaalsContact C-N 3.28Å; N98-K100 PolarHBondContact O-N 2.69Å; K100-V102 VanDerWaalsContact C-N 3.3Å; K100-V102 PolarHBondContact O-N 2.89Å; K100-A103 WeakPolarHBondContact O-CB 3.48Å; K100-A103 PolarHBondContact O-N 3.1Å; K100-A103 VanDerWaalsContact O-N 3.16Å; K100-D104 PolarHBondContact O-N 3.33Å |
| 101 | L | 98.5 | Very high | 98.3 | Very high | 118 Ų | 118 | 100.5 Ų | 100.5 | 62% | 0.618 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.2 | -38.1 | 176.8 | -73.1 | 173.2 | 0 | 0 | 0 | 112.3 | T97 N98 D104 S105 | T97-L101 VanDerWaalsContact O-CG 3.3Å; T97-L101 WeakPolarHBondContact O-CG 3.5Å; T97-L101 PolarHBondContact O-N 2.98Å; N98-L101 PolarHBondContact O-N 3.49Å; L101-D104 PolarHBondContact O-N 3.49Å; L101-S105 WeakPolarHBondContact O-CB 3.29Å; L101-S105 PolarHBondContact O-N 3.12Å |
| 102 | V | 98.7 | Very high | 98.3 | Very high | 64 Ų | 64 | 103.7 Ų | 103.7 | 39% | 0.388 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 175 | 170 | 0 | 0 | 0 | 0 | 111.1 | N98 Q99 K100 S105 K106 | N98-V102 WeakPolarHBondContact O-CG2 3.41Å; N98-V102 PolarHBondContact O-N 2.88Å; Q99-V102 PolarHBondContact O-N 3.48Å; K100-V102 VanDerWaalsContact C-N 3.3Å; K100-V102 PolarHBondContact O-N 2.89Å; V102-S105 PolarHBondContact O-N 2.89Å; V102-K106 HydrophobicContact CG1-CD 4.3Å; V102-K106 WeakPolarHBondContact O-CB 3.25Å; V102-K106 VanDerWaalsContact O-CG 3.31Å; V102-K106 WeakPolarHBondContact O-CG 3.49Å; V102-K106 PolarHBondContact O-N 2.9Å |
| 103 | A | 98.3 | Very high | 98.3 | Very high | 55 Ų | 55 | 102.5 Ų | 102.5 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q99 K100 S105 K106 A107 | Q99-A103 WeakPolarHBondContact O-CB 3.48Å; Q99-A103 PolarHBondContact O-N 3.32Å; K100-A103 WeakPolarHBondContact O-CB 3.48Å; K100-A103 PolarHBondContact O-N 3.1Å; K100-A103 VanDerWaalsContact O-N 3.16Å; A103-S105 PolarHBondContact O-N 3.35Å; A103-K106 PolarHBondContact O-N 3.42Å; A103-A107 WeakPolarHBondContact O-CB 3.46Å; A103-A107 PolarHBondContact O-N 3.47Å |
| 104 | D | 98.5 | Very high | 98.3 | Very high | 90 Ų | 90 | 100 Ų | 100 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 177.1 | -71.8 | -13.6 | 0 | 0 | 0 | 111.5 | K100 L101 A107 S108 | K100-D104 PolarHBondContact O-N 3.33Å; L101-D104 PolarHBondContact O-N 3.49Å; D104-A107 PolarHBondContact O-N 3.28Å; D104-S108 WeakPolarHBondContact O-CB 3.39Å; D104-S108 PolarHBondContact O-N 3.45Å |
| 105 | S | 98.2 | Very high | 98.3 | Very high | 66 Ų | 66 | 98.6 Ų | 98.6 | 46% | 0.462 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.3 | -48.3 | 174 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | L101 V102 A103 A107 S108 Q109 | L101-S105 WeakPolarHBondContact O-CB 3.29Å; L101-S105 PolarHBondContact O-N 3.12Å; V102-S105 PolarHBondContact O-N 2.89Å; A103-S105 PolarHBondContact O-N 3.35Å; S105-A107 PolarHBondContact O-N 2.73Å; S105-S108 PolarHBondContact O-N 3.32Å; S105-S108 PolarHBondContact O-OG 2.96Å; S105-Q109 WeakPolarHBondContact O-CB 3.42Å; S105-Q109 PolarHBondContact O-N 3.49Å |
| 106 | K | 98.5 | Very high | 98.3 | Very high | 125 Ų | 125 | 95.7 Ų | 95.7 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 175.5 | -74.5 | 174.6 | -179.2 | 177.9 | 0 | 112.4 | V102 A103 S108 Q109 Q110 | V102-K106 HydrophobicContact CG1-CD 4.3Å; V102-K106 WeakPolarHBondContact O-CB 3.25Å; V102-K106 VanDerWaalsContact O-CG 3.31Å; V102-K106 WeakPolarHBondContact O-CG 3.49Å; V102-K106 PolarHBondContact O-N 2.9Å; A103-K106 PolarHBondContact O-N 3.42Å; K106-S108 VanDerWaalsContact C-N 3.35Å; K106-Q109 PolarHBondContact O-N 2.88Å; K106-Q110 WeakPolarHBondContact O-CG 3.44Å; K106-Q110 PolarHBondContact O-N 2.92Å |
| 107 | A | 98.4 | Very high | 98.3 | Very high | 52 Ų | 52 | 94.7 Ų | 94.7 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A103 D104 S105 Q109 Q110 K111 | A103-A107 WeakPolarHBondContact O-CB 3.46Å; A103-A107 PolarHBondContact O-N 3.47Å; D104-A107 PolarHBondContact O-N 3.28Å; S105-A107 PolarHBondContact O-N 2.73Å; A107-Q109 VanDerWaalsContact C-N 3.35Å; A107-Q110 PolarHBondContact O-N 3.26Å; A107-K111 PolarHBondContact O-N 2.86Å |
| 108 | S | 97.8 | Very high | 98.3 | Very high | 59 Ų | 59 | 94.8 Ų | 94.8 | 41% | 0.413 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 175.2 | 79 | 0 | 0 | 0 | 0 | 112.1 | D104 S105 K106 K111 I112 | D104-S108 WeakPolarHBondContact O-CB 3.39Å; D104-S108 PolarHBondContact O-N 3.45Å; S105-S108 PolarHBondContact O-N 3.32Å; S105-S108 PolarHBondContact O-OG 2.96Å; K106-S108 VanDerWaalsContact C-N 3.35Å; S108-K111 WeakPolarHBondContact O-CB 3.48Å; S108-K111 PolarHBondContact O-N 3.27Å; S108-I112 WeakPolarHBondContact O-CG1 3.36Å; S108-I112 PolarHBondContact O-N 3.05Å |
| 109 | Q | 98.4 | Very high | 98.3 | Very high | 113 Ų | 113 | 94.3 Ų | 94.3 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 176.5 | -173.2 | 176.8 | 9.3 | 0 | 0 | 111.3 | S105 K106 A107 K111 I112 L113 | S105-Q109 WeakPolarHBondContact O-CB 3.42Å; S105-Q109 PolarHBondContact O-N 3.49Å; K106-Q109 PolarHBondContact O-N 2.88Å; A107-Q109 VanDerWaalsContact C-N 3.35Å; Q109-K111 VanDerWaalsContact C-N 3.3Å; Q109-K111 PolarHBondContact O-N 2.98Å; Q109-I112 PolarHBondContact O-N 2.99Å; Q109-L113 WeakPolarHBondContact O-CG 3.47Å; Q109-L113 PolarHBondContact O-N 3.22Å |
| 110 | Q | 98.3 | Very high | 98.3 | Very high | 136 Ų | 136 | 93 Ų | 93 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.4 | -41.7 | 173.7 | -73 | 173.1 | -11.2 | 0 | 0 | 111.6 | K106 A107 L113 S114 | K106-Q110 WeakPolarHBondContact O-CG 3.44Å; K106-Q110 PolarHBondContact O-N 2.92Å; A107-Q110 PolarHBondContact O-N 3.26Å; Q110-L113 PolarHBondContact O-N 2.93Å; Q110-S114 PolarHBondContact O-N 2.93Å |
| 111 | K | 98.5 | Very high | 98.2 | Very high | 141 Ų | 141 | 89.7 Ų | 89.7 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 175.6 | -171.7 | 174.6 | -177.4 | 176.7 | 0 | 111.9 | A107 S108 Q109 S114 L115 | A107-K111 PolarHBondContact O-N 2.86Å; S108-K111 WeakPolarHBondContact O-CB 3.48Å; S108-K111 PolarHBondContact O-N 3.27Å; Q109-K111 VanDerWaalsContact C-N 3.3Å; Q109-K111 PolarHBondContact O-N 2.98Å; K111-S114 PolarHBondContact O-N 3.28Å; K111-S114 PolarHBondContact O-OG 2.86Å; K111-L115 HydrophobicContact CG-CD1 4.34Å; K111-L115 WeakPolarHBondContact O-CG 3.43Å; K111-L115 PolarHBondContact O-N 2.82Å |
| 112 | I | 98.2 | Very high | 98.2 | Very high | 104 Ų | 104 | 89.1 Ų | 89.1 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 175 | -68.9 | 164.6 | 0 | 0 | 0 | 110.2 | S108 Q109 S114 L115 T116 | S108-I112 WeakPolarHBondContact O-CG1 3.36Å; S108-I112 PolarHBondContact O-N 3.05Å; Q109-I112 PolarHBondContact O-N 2.99Å; I112-S114 PolarHBondContact O-N 2.91Å; I112-L115 PolarHBondContact O-N 2.89Å; I112-T116 PolarHBondContact O-N 2.89Å; I112-T116 PolarHBondContact O-OG1 3.47Å |
| 113 | L | 98.3 | Very high | 98.1 | Very high | 93 Ų | 93 | 90.9 Ų | 90.9 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.2 | -46.8 | 178.4 | -68.4 | 173.7 | 0 | 0 | 0 | 111.7 | Q109 Q110 L115 T116 E117 | Q109-L113 WeakPolarHBondContact O-CG 3.47Å; Q109-L113 PolarHBondContact O-N 3.22Å; Q110-L113 PolarHBondContact O-N 2.93Å; L113-L115 VanDerWaalsContact C-N 3.31Å; L113-L115 PolarHBondContact O-N 3.18Å; L113-T116 WeakPolarHBondContact O-CB 3.47Å; L113-T116 PolarHBondContact O-N 3.28Å; L113-T116 VanDerWaalsContact O-N 3.16Å; L113-E117 WeakPolarHBondContact O-CG 3.5Å; L113-E117 PolarHBondContact O-N 3.41Å |
| 114 | S | 98.4 | Very high | 98.1 | Very high | 54 Ų | 54 | 92.3 Ų | 92.3 | 38% | 0.378 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.8 | -39.8 | 177.1 | 71.2 | 0 | 0 | 0 | 0 | 112.9 | Q110 K111 I112 E117 T118 | Q110-S114 PolarHBondContact O-N 2.93Å; K111-S114 PolarHBondContact O-N 3.28Å; K111-S114 PolarHBondContact O-OG 2.86Å; I112-S114 PolarHBondContact O-N 2.91Å; S114-E117 PolarHBondContact O-N 3.47Å; S114-T118 WeakPolarHBondContact O-CG2 3.17Å; S114-T118 PolarHBondContact O-N 3.29Å; S114-T118 VanDerWaalsContact O-N 3.09Å |
| 115 | L | 97.9 | Very high | 98 | Very high | 91 Ų | 91 | 92.6 Ų | 92.6 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.1 | -41 | 176.9 | -71.6 | 172.2 | 0 | 0 | 0 | 111.1 | K111 I112 L113 E117 T118 I119 | K111-L115 HydrophobicContact CG-CD1 4.34Å; K111-L115 WeakPolarHBondContact O-CG 3.43Å; K111-L115 PolarHBondContact O-N 2.82Å; I112-L115 PolarHBondContact O-N 2.89Å; L113-L115 VanDerWaalsContact C-N 3.31Å; L113-L115 PolarHBondContact O-N 3.18Å; L115-E117 VanDerWaalsContact C-N 3.35Å; L115-E117 PolarHBondContact O-N 3.18Å; L115-T118 PolarHBondContact O-N 2.93Å; L115-T118 PolarHBondContact O-OG1 3.38Å; L115-I119 VanDerWaalsContact O-CG1 3.32Å; L115-I119 WeakPolarHBondContact O-CG1 3.35Å; L115-I119 PolarHBondContact O-N 3.35Å |
| 116 | T | 97.8 | Very high | 97.9 | Very high | 58 Ų | 58 | 93.7 Ų | 93.7 | 36% | 0.356 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 174.7 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | I112 L113 T118 I119 E120 | I112-T116 PolarHBondContact O-N 2.89Å; I112-T116 PolarHBondContact O-OG1 3.47Å; L113-T116 WeakPolarHBondContact O-CB 3.47Å; L113-T116 PolarHBondContact O-N 3.28Å; L113-T116 VanDerWaalsContact O-N 3.16Å; T116-T118 VanDerWaalsContact C-N 3.34Å; T116-T118 PolarHBondContact O-N 2.87Å; T116-I119 WeakPolarHBondContact O-CB 3.36Å; T116-I119 PolarHBondContact O-N 2.84Å; T116-I119 VanDerWaalsContact O-N 3.11Å; T116-E120 WeakPolarHBondContact O-CG 3.38Å; T116-E120 PolarHBondContact O-N 2.95Å |
| 117 | E | 98.1 | Very high | 97.9 | Very high | 118 Ų | 118 | 91.9 Ų | 91.9 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.3 | -44.2 | 175.4 | -71.8 | 169.8 | -169.1 | 0 | 0 | 111.6 | L113 S114 L115 I119 E120 C121 | L113-E117 WeakPolarHBondContact O-CG 3.5Å; L113-E117 PolarHBondContact O-N 3.41Å; S114-E117 PolarHBondContact O-N 3.47Å; L115-E117 VanDerWaalsContact C-N 3.35Å; L115-E117 PolarHBondContact O-N 3.18Å; E117-I119 VanDerWaalsContact C-N 3.32Å; E117-I119 PolarHBondContact O-N 2.94Å; E117-E120 PolarHBondContact O-N 3.33Å; E117-C121 PolarHBondContact O-N 3.43Å; E117-C121 PolarHBondContact O-SG 3.02Å; E117-C121 VanDerWaalsContact O-SG 3.35Å |
| 118 | T | 97.9 | Very high | 97.8 | Very high | 75 Ų | 75 | 94.8 Ų | 94.8 | 46% | 0.46 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -37 | 175.8 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | S114 L115 T116 C121 L122 | S114-T118 WeakPolarHBondContact O-CG2 3.17Å; S114-T118 PolarHBondContact O-N 3.29Å; S114-T118 VanDerWaalsContact O-N 3.09Å; L115-T118 PolarHBondContact O-N 2.93Å; L115-T118 PolarHBondContact O-OG1 3.38Å; T116-T118 VanDerWaalsContact C-N 3.34Å; T116-T118 PolarHBondContact O-N 2.87Å; T118-C121 PolarHBondContact O-N 3.4Å; T118-L122 VanDerWaalsContact O-CG 3.28Å; T118-L122 WeakPolarHBondContact O-CG 3.43Å; T118-L122 PolarHBondContact O-N 3.29Å |
| 119 | I | 98.1 | Very high | 97.7 | Very high | 89 Ų | 89 | 96.9 Ų | 96.9 | 46% | 0.456 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 176.9 | -70.4 | 166.1 | 0 | 0 | 0 | 110.1 | L115 T116 E117 L122 Q123 | L115-I119 VanDerWaalsContact O-CG1 3.32Å; L115-I119 WeakPolarHBondContact O-CG1 3.35Å; L115-I119 PolarHBondContact O-N 3.35Å; T116-I119 WeakPolarHBondContact O-CB 3.36Å; T116-I119 PolarHBondContact O-N 2.84Å; T116-I119 VanDerWaalsContact O-N 3.11Å; E117-I119 VanDerWaalsContact C-N 3.32Å; E117-I119 PolarHBondContact O-N 2.94Å; I119-L122 PolarHBondContact O-N 3.36Å; I119-L122 VanDerWaalsContact O-N 3.16Å; I119-Q123 HydrophobicContact CG2-CG 4.27Å; I119-Q123 WeakPolarHBondContact O-CB 3.42Å; I119-Q123 VanDerWaalsContact O-CG 3.29Å; I119-Q123 WeakPolarHBondContact O-CG 3.38Å; I119-Q123 PolarHBondContact O-N 2.95Å |
| 120 | E | 98 | Very high | 97.6 | Very high | 108 Ų | 108 | 97 Ų | 97 | 51% | 0.505 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 176.9 | -70.9 | 176.2 | -174.6 | 0 | 0 | 111.8 | T116 E117 L122 Q123 T124 | T116-E120 WeakPolarHBondContact O-CG 3.38Å; T116-E120 PolarHBondContact O-N 2.95Å; E117-E120 PolarHBondContact O-N 3.33Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 3.48Å; E120-Q123 PolarHBondContact O-N 2.97Å; E120-T124 WeakPolarHBondContact O-CG2 3.26Å; E120-T124 PolarHBondContact O-N 3.16Å; E120-T124 PolarHBondContact O-OG1 3.49Å; E120-T124 VanDerWaalsContact O-OG1 3.04Å |
| 121 | C | 97.9 | Very high | 97.5 | Very high | 75 Ų | 75 | 94 Ų | 94 | 51% | 0.507 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 172.5 | -68.5 | 0 | 0 | 0 | 0 | 112.4 | E117 T118 T124 N125 | E117-C121 PolarHBondContact O-N 3.43Å; E117-C121 PolarHBondContact O-SG 3.02Å; E117-C121 VanDerWaalsContact O-SG 3.35Å; T118-C121 PolarHBondContact O-N 3.4Å; C121-T124 WeakPolarHBondContact CA-OG1 3.32Å; C121-T124 PolarHBondContact O-OG1 2.93Å; C121-N125 VanDerWaalsContact O-CG 3.24Å; C121-N125 PolarHBondContact O-N 2.88Å; C121-N125 PolarHBondContact O-ND2 3.43Å |
| 122 | L | 97.3 | Very high | 97.3 | Very high | 105 Ų | 105 | 91.2 Ų | 91.2 | 55% | 0.55 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.3 | -39.1 | 176.4 | -70.8 | 172.8 | 0 | 0 | 0 | 112.1 | T118 I119 E120 N125 I126 | T118-L122 VanDerWaalsContact O-CG 3.28Å; T118-L122 WeakPolarHBondContact O-CG 3.43Å; T118-L122 PolarHBondContact O-N 3.29Å; I119-L122 PolarHBondContact O-N 3.36Å; I119-L122 VanDerWaalsContact O-N 3.16Å; E120-L122 VanDerWaalsContact C-N 3.32Å; E120-L122 PolarHBondContact O-N 3.48Å; L122-N125 PolarHBondContact O-N 3.39Å; L122-I126 VanDerWaalsContact O-CG1 3.3Å; L122-I126 WeakPolarHBondContact O-CG1 3.42Å; L122-I126 PolarHBondContact O-N 3.25Å |
| 123 | Q | 97.5 | Very high | 97.1 | Very high | 102 Ų | 102 | 90.4 Ų | 90.4 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 176.1 | -75.7 | 171.2 | -14.6 | 0 | 0 | 111.2 | I119 E120 N125 I126 D127 | I119-Q123 HydrophobicContact CG2-CG 4.27Å; I119-Q123 WeakPolarHBondContact O-CB 3.42Å; I119-Q123 VanDerWaalsContact O-CG 3.29Å; I119-Q123 WeakPolarHBondContact O-CG 3.38Å; I119-Q123 PolarHBondContact O-N 2.95Å; E120-Q123 PolarHBondContact O-N 2.97Å; Q123-N125 VanDerWaalsContact C-N 3.3Å; Q123-N125 PolarHBondContact O-N 3.26Å; Q123-I126 WeakPolarHBondContact O-CB 3.43Å; Q123-I126 PolarHBondContact O-N 2.93Å; Q123-I126 VanDerWaalsContact O-N 3.08Å; Q123-D127 VanDerWaalsContact O-CG 3.28Å; Q123-D127 PolarHBondContact O-N 3.19Å |
| 124 | T | 97.4 | Very high | 96.8 | Very high | 85 Ų | 85 | 90.8 Ų | 90.8 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60 | -38.6 | 176.6 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | E120 C121 D127 H128 | E120-T124 WeakPolarHBondContact O-CG2 3.26Å; E120-T124 PolarHBondContact O-N 3.16Å; E120-T124 PolarHBondContact O-OG1 3.49Å; E120-T124 VanDerWaalsContact O-OG1 3.04Å; C121-T124 WeakPolarHBondContact CA-OG1 3.32Å; C121-T124 PolarHBondContact O-OG1 2.93Å; T124-D127 PolarHBondContact O-N 2.92Å; T124-H128 WeakPolarHBondContact O-CB 3.45Å; T124-H128 PolarHBondContact O-N 3.3Å |
| 125 | N | 96.7 | Very high | 96.5 | Very high | 96 Ų | 96 | 94.6 Ų | 94.6 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 173.1 | -73.8 | -32.5 | 0 | 0 | 0 | 112.6 | C121 L122 Q123 H128 L129 | C121-N125 VanDerWaalsContact O-CG 3.24Å; C121-N125 PolarHBondContact O-N 2.88Å; C121-N125 PolarHBondContact O-ND2 3.43Å; L122-N125 PolarHBondContact O-N 3.39Å; Q123-N125 VanDerWaalsContact C-N 3.3Å; Q123-N125 PolarHBondContact O-N 3.26Å; N125-H128 PolarHBondContact O-N 2.85Å; N125-L129 WeakPolarHBondContact O-CB 3.31Å; N125-L129 WeakPolarHBondContact O-CG 3.49Å; N125-L129 PolarHBondContact O-N 3.43Å |
| 126 | I | 97.3 | Very high | 96.1 | Very high | 88 Ų | 88 | 96 Ų | 96 | 45% | 0.451 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 175.8 | -71.9 | 166.1 | 0 | 0 | 0 | 110.2 | L122 Q123 H128 L129 Q130 | L122-I126 VanDerWaalsContact O-CG1 3.3Å; L122-I126 WeakPolarHBondContact O-CG1 3.42Å; L122-I126 PolarHBondContact O-N 3.25Å; Q123-I126 WeakPolarHBondContact O-CB 3.43Å; Q123-I126 PolarHBondContact O-N 2.93Å; Q123-I126 VanDerWaalsContact O-N 3.08Å; I126-H128 VanDerWaalsContact C-N 3.3Å; I126-H128 PolarHBondContact O-N 2.75Å; I126-L129 PolarHBondContact O-N 3.25Å; I126-Q130 HydrophobicContact CG2-CG 4.22Å; I126-Q130 WeakPolarHBondContact O-CB 3.42Å; I126-Q130 VanDerWaalsContact O-CG 3.28Å; I126-Q130 WeakPolarHBondContact O-CG 3.49Å; I126-Q130 PolarHBondContact O-N 2.98Å |
| 127 | D | 97.3 | Very high | 95.7 | Very high | 88 Ų | 88 | 99.1 Ų | 99.1 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 179 | -66.9 | -20.5 | 0 | 0 | 0 | 111.5 | Q123 T124 Q130 S131 | Q123-D127 VanDerWaalsContact O-CG 3.28Å; Q123-D127 PolarHBondContact O-N 3.19Å; T124-D127 PolarHBondContact O-N 2.92Å; D127-Q130 PolarHBondContact O-N 3Å; D127-S131 WeakPolarHBondContact O-CB 3.46Å; D127-S131 PolarHBondContact O-N 3.43Å; D127-S131 PolarHBondContact O-OG 2.88Å |
| 128 | H | 97 | Very high | 94.7 | Very high | 112 Ų | 112 | 96.9 Ų | 96.9 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -47 | 174.2 | -176.4 | 62.8 | 0 | 0 | 0 | 112 | T124 N125 I126 S131 Q132 | T124-H128 WeakPolarHBondContact O-CB 3.45Å; T124-H128 PolarHBondContact O-N 3.3Å; N125-H128 PolarHBondContact O-N 2.85Å; I126-H128 VanDerWaalsContact C-N 3.3Å; I126-H128 PolarHBondContact O-N 2.75Å; H128-S131 WeakPolarHBondContact O-CB 3.49Å; H128-S131 PolarHBondContact O-N 2.96Å; H128-Q132 PolarHBondContact CD2-NE2 2.96Å; H128-Q132 PolarHBondContact NE2-NE2 3.43Å; H128-Q132 PolarHBondContact O-N 3.47Å |
| 129 | L | 96.3 | Very high | 93.6 | Very high | 104 Ų | 104 | 96.3 Ų | 96.3 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 176 | -72.8 | 172.5 | 0 | 0 | 0 | 111.9 | N125 I126 S131 Q132 V133 | N125-L129 WeakPolarHBondContact O-CB 3.31Å; N125-L129 WeakPolarHBondContact O-CG 3.49Å; N125-L129 PolarHBondContact O-N 3.43Å; I126-L129 PolarHBondContact O-N 3.25Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 3.38Å; L129-Q132 PolarHBondContact O-N 3.24Å; L129-V133 WeakPolarHBondContact O-CG2 3.3Å; L129-V133 PolarHBondContact O-N 3.34Å |
| 130 | Q | 95.9 | Very high | 91.7 | Very high | 114 Ų | 114 | 93.7 Ų | 93.7 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 174.7 | -75.4 | 178.2 | 6.4 | 0 | 0 | 111.5 | I126 D127 V133 E134 | I126-Q130 HydrophobicContact CG2-CG 4.22Å; I126-Q130 WeakPolarHBondContact O-CB 3.42Å; I126-Q130 VanDerWaalsContact O-CG 3.28Å; I126-Q130 WeakPolarHBondContact O-CG 3.49Å; I126-Q130 PolarHBondContact O-N 2.98Å; D127-Q130 PolarHBondContact O-N 3Å; Q130-V133 PolarHBondContact O-N 2.62Å; Q130-E134 PolarHBondContact O-N 3.19Å |
| 131 | S | 95.1 | Very high | 89.7 | Confident | 75 Ų | 75 | 98.7 Ų | 98.7 | 52% | 0.524 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 175.8 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | D127 H128 L129 V133 E134 E135 | D127-S131 WeakPolarHBondContact O-CB 3.46Å; D127-S131 PolarHBondContact O-N 3.43Å; D127-S131 PolarHBondContact O-OG 2.88Å; H128-S131 WeakPolarHBondContact O-CB 3.49Å; H128-S131 PolarHBondContact O-N 2.96Å; L129-S131 VanDerWaalsContact C-N 3.33Å; L129-S131 PolarHBondContact O-N 3.38Å; S131-V133 VanDerWaalsContact C-N 3.34Å; S131-V133 PolarHBondContact O-N 3.33Å; S131-E134 PolarHBondContact O-N 3.45Å; S131-E135 WeakPolarHBondContact O-CB 3.36Å; S131-E135 PolarHBondContact O-N 2.97Å |
| 132 | Q | 95.4 | Very high | 87.5 | Confident | 81 Ų | 81 | 97.8 Ų | 97.8 | 38% | 0.379 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 174.8 | -70.8 | -173.8 | 40.8 | 0 | 0 | 112.3 | H128 L129 E135 L136 | H128-Q132 PolarHBondContact CD2-NE2 2.96Å; H128-Q132 PolarHBondContact NE2-NE2 3.43Å; H128-Q132 PolarHBondContact O-N 3.47Å; L129-Q132 PolarHBondContact O-N 3.24Å; Q132-E135 PolarHBondContact O-N 3.5Å; Q132-L136 WeakPolarHBondContact O-CB 3.3Å; Q132-L136 WeakPolarHBondContact O-CG 3.2Å; Q132-L136 PolarHBondContact O-N 3.26Å |
| 133 | V | 92.9 | Very high | 85.3 | Confident | 87 Ų | 87 | 102.3 Ų | 102.3 | 53% | 0.527 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 177.8 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | L129 Q130 S131 E135 L136 K137 | L129-V133 WeakPolarHBondContact O-CG2 3.3Å; L129-V133 PolarHBondContact O-N 3.34Å; Q130-V133 PolarHBondContact O-N 2.62Å; S131-V133 VanDerWaalsContact C-N 3.34Å; S131-V133 PolarHBondContact O-N 3.33Å; V133-E135 VanDerWaalsContact C-N 3.35Å; V133-L136 PolarHBondContact O-N 2.89Å; V133-K137 WeakPolarHBondContact O-CB 3.49Å; V133-K137 PolarHBondContact O-N 3.3Å |
| 134 | E | 92.9 | Very high | 82.8 | Confident | 101 Ų | 101 | 108.6 Ų | 108.6 | 47% | 0.472 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -69.1 | -32.2 | 176.6 | -70.6 | -59.9 | 147.7 | 0 | 0 | 112.2 | Q130 S131 K137 S138 | Q130-E134 PolarHBondContact O-N 3.19Å; S131-E134 PolarHBondContact O-N 3.45Å; E134-K137 PolarHBondContact O-N 3.22Å; E134-K137 IonicContact OE1-NZ 2.81Å; E134-K137 PolarHBondContact OE1-NZ 3.44Å; E134-K137 IonicContact OE2-NZ 3.24Å; E134-K137 PolarHBondContact OE2-NZ 2.78Å; E134-S138 VanDerWaalsContact O-CB 3.31Å; E134-S138 WeakPolarHBondContact O-CB 3.45Å; E134-S138 PolarHBondContact O-N 3.02Å; E134-S138 PolarHBondContact O-OG 2.92Å |
| 135 | E | 92.6 | Very high | 80.5 | Confident | 135 Ų | 135 | 109.3 Ų | 109.3 | 63% | 0.631 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.7 | -44.1 | 170.6 | -168.8 | 178.1 | -176.1 | 0 | 0 | 112.1 | S131 Q132 V133 K137 S138 S139 | S131-E135 WeakPolarHBondContact O-CB 3.36Å; S131-E135 PolarHBondContact O-N 2.97Å; Q132-E135 PolarHBondContact O-N 3.5Å; V133-E135 VanDerWaalsContact C-N 3.35Å; E135-K137 VanDerWaalsContact C-N 3.33Å; E135-K137 PolarHBondContact O-N 3.43Å; E135-S138 WeakPolarHBondContact CA-OG 3.35Å; E135-S138 PolarHBondContact O-N 2.99Å; E135-S138 PolarHBondContact O-OG 3.3Å; E135-S139 VanDerWaalsContact O-CB 3.3Å; E135-S139 WeakPolarHBondContact O-CB 3.48Å; E135-S139 PolarHBondContact O-N 3.44Å; E135-S139 PolarHBondContact O-OG 2.92Å |
| 136 | L | 89.2 | Confident | 77.9 | Confident | 121 Ų | 121 | 112.4 Ų | 112.4 | 63% | 0.634 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.5 | -35.8 | 174 | -73.1 | 174.2 | 0 | 0 | 0 | 112.4 | Q132 V133 S139 G140 | Q132-L136 WeakPolarHBondContact O-CB 3.3Å; Q132-L136 WeakPolarHBondContact O-CG 3.2Å; Q132-L136 PolarHBondContact O-N 3.26Å; V133-L136 PolarHBondContact O-N 2.89Å; L136-S139 VanDerWaalsContact CA-OG 3.29Å; L136-S139 WeakPolarHBondContact CA-OG 3.37Å; L136-S139 PolarHBondContact O-OG 3.25Å; L136-S139 VanDerWaalsContact O-OG 3.07Å; L136-G140 WeakPolarHBondContact O-CA 3.4Å; L136-G140 PolarHBondContact O-N 3.42Å |
| 137 | K | 88.3 | Confident | 74.9 | Confident | 122 Ų | 122 | 111.5 Ų | 111.5 | 53% | 0.53 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73.7 | -36.3 | 178.4 | -175.1 | 173.2 | 159.7 | -153.2 | 0 | 112.3 | V133 E134 E135 R141 | V133-K137 WeakPolarHBondContact O-CB 3.49Å; V133-K137 PolarHBondContact O-N 3.3Å; E134-K137 PolarHBondContact O-N 3.22Å; E134-K137 IonicContact OE1-NZ 2.81Å; E134-K137 PolarHBondContact OE1-NZ 3.44Å; E134-K137 IonicContact OE2-NZ 3.24Å; E134-K137 PolarHBondContact OE2-NZ 2.78Å; E135-K137 VanDerWaalsContact C-N 3.33Å; E135-K137 PolarHBondContact O-N 3.43Å; K137-R141 WeakPolarHBondContact O-CB 3.3Å; K137-R141 PolarHBondContact O-N 3.37Å |
| 138 | S | 76.8 | Confident | 72.5 | Confident | 72 Ų | 72 | 116.9 Ų | 116.9 | 50% | 0.503 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -71.7 | -43.6 | 173.4 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | E134 E135 R141 G142 | E134-S138 VanDerWaalsContact O-CB 3.31Å; E134-S138 WeakPolarHBondContact O-CB 3.45Å; E134-S138 PolarHBondContact O-N 3.02Å; E134-S138 PolarHBondContact O-OG 2.92Å; E135-S138 WeakPolarHBondContact CA-OG 3.35Å; E135-S138 PolarHBondContact O-N 2.99Å; E135-S138 PolarHBondContact O-OG 3.3Å; S138-R141 WeakPolarHBondContact O-CB 3.48Å; S138-R141 PolarHBondContact O-N 2.95Å; S138-G142 PolarHBondContact O-N 3.49Å |
| 139 | S | 75.6 | Confident | 69.6 | Low | 62 Ų | 62 | 117.1 Ų | 117.1 | 43% | 0.434 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.9 | -35.5 | 173.3 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | E135 L136 G142 R143 | E135-S139 VanDerWaalsContact O-CB 3.3Å; E135-S139 WeakPolarHBondContact O-CB 3.48Å; E135-S139 PolarHBondContact O-N 3.44Å; E135-S139 PolarHBondContact O-OG 2.92Å; L136-S139 VanDerWaalsContact CA-OG 3.29Å; L136-S139 WeakPolarHBondContact CA-OG 3.37Å; L136-S139 PolarHBondContact O-OG 3.25Å; L136-S139 VanDerWaalsContact O-OG 3.07Å; S139-G142 PolarHBondContact O-N 3.18Å; S139-R143 PolarHBondContact O-N 3.39Å |
| 140 | G | 58.7 | Low | 66.9 | Low | 34 Ų | 34 | 119 Ų | 119 | 35% | 0.351 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -69.7 | -27.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L136 G142 R143 | L136-G140 WeakPolarHBondContact O-CA 3.4Å; L136-G140 PolarHBondContact O-N 3.42Å; G140-G142 VanDerWaalsContact C-N 3.29Å; G140-G142 PolarHBondContact O-N 3.5Å; G140-R143 PolarHBondContact O-N 2.89Å |
| 141 | R | 55.5 | Low | 64 | Low | 213 Ų | 213 | 122.8 Ų | 122.8 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.1 | -29.7 | 170.4 | -115.4 | 176.4 | 178 | -109.6 | 2.5 | 112.3 | K137 S138 | K137-R141 WeakPolarHBondContact O-CB 3.3Å; K137-R141 PolarHBondContact O-N 3.37Å; S138-R141 WeakPolarHBondContact O-CB 3.48Å; S138-R141 PolarHBondContact O-N 2.95Å |
| 142 | G | 51.8 | Low | 61.1 | Low | 57 Ų | 57 | 128.1 Ų | 128.1 | 59% | 0.588 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -14.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S138 S139 G140 | S138-G142 PolarHBondContact O-N 3.49Å; S139-G142 PolarHBondContact O-N 3.18Å; G140-G142 VanDerWaalsContact C-N 3.29Å; G140-G142 PolarHBondContact O-N 3.5Å |
| 143 | R | 51.4 | Low | 58.5 | Low | 200 Ų | 200 | 133.8 Ų | 133.8 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 16.7 | -177.6 | -70.6 | -163 | -170.5 | -97.5 | 3.9 | 115.3 | S139 G140 S145 | S139-R143 PolarHBondContact O-N 3.39Å; G140-R143 PolarHBondContact O-N 2.89Å; R143-S145 PolarHBondContact O-N 3.44Å |
| 144 | R | 45.3 | Very low | 56.1 | Low | 234 Ų | 234 | 135.8 Ų | 135.8 | 88% | 0.883 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 7.5 | 169.3 | -73.8 | -170.9 | -171.1 | -171.7 | 2.3 | 114.3 | ||
| 145 | S | 47.8 | Very low | 53.7 | Low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.1 | 19.1 | 178.1 | 68.2 | 0 | 0 | 0 | 0 | 115.7 | R143 | R143-S145 PolarHBondContact O-N 3.44Š|
| 146 | Q | 41.8 | Very low | 51.5 | Low | 160 Ų | 160 | 135.1 Ų | 135.1 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -129.5 | 105.7 | 173.3 | -150.9 | 93.1 | 3.7 | 0 | 0 | 109.8 | ||||
| 147 | G | 34.7 | Very low | 49.7 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | -68.2 | 165.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 148 | K | 46.6 | Very low | 47.8 | Very low | 202 Ų | 202 | 136.2 Ų | 136.2 | 88% | 0.878 | 73% | 0.734 | S | S | * | * | trans | 22.4 | 120.3 | 145.8 | -63.3 | -175.4 | 173.6 | -173.3 | 0 | 118.4 | ||||
| 149 | C | 36.5 | Very low | 46.7 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | trans | -167.5 | 105.9 | 133.2 | -129.6 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 150 | D | 39.3 | Very low | 45.7 | Very low | 142 Ų | 142 | 137.2 Ų | 137.2 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | 34.8 | 94.5 | 75.6 | -72.2 | -26.3 | 0 | 0 | 0 | 112.7 | |||||
| 151 | Q | 36 | Very low | 45.5 | Very low | 194 Ų | 194 | 140.5 Ų | 140.5 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | trans | -158.2 | 141.6 | 132 | -114.6 | 177.2 | 45.8 | 0 | 0 | 112.8 | ||||
| 152 | E | 33.4 | Very low | 45.4 | Very low | 188 Ų | 188 | 138 Ų | 138 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | trans | -81.3 | 149.7 | -168.4 | -60.9 | 166.4 | 129.9 | 0 | 0 | 112 | ||||
| 153 | K | 41.6 | Very low | 45.7 | Very low | 200 Ų | 200 | 141.9 Ų | 141.9 | 87% | 0.87 | 75% | 0.75 | S | S | * | * | trans | -3.6 | 150.7 | 150.9 | -79.5 | 176.6 | -179.4 | 175.1 | 0 | 118 | ||||
| 154 | P | 42.7 | Very low | 45.9 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | -147.8 | 174.2 | 54.9 | 34.3 | -10.6 | 0 | 0 | 0 | 117.8 | |||||
| 155 | A | 42.8 | Very low | 46.3 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -58.5 | 149.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | S157 | A155-S157 PolarHBondContact O-N 2.89Š| ||
| 156 | P | 46.5 | Very low | 46.7 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | trans | -89.3 | 97.4 | 155 | 33.5 | -22.9 | 0 | 0 | 0 | 108.3 | ||||
| 157 | S | 50.7 | Low | 47.4 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 66% | 0.664 | 71% | 0.713 | S | S | * | * | trans | -89.2 | 137.7 | 161.5 | -160.5 | 0 | 0 | 0 | 0 | 108.1 | A155 | A155-S157 PolarHBondContact O-N 2.89Š| ||
| 158 | F | 49.3 | Very low | 48.3 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 81.2 | 40.8 | 164.7 | -83.4 | -87.3 | 0 | 0 | 0 | 121 | L161 | F158-L161 HydrophobicContact CE1-CD1 3.96Š|
| 159 | A | 53.1 | Low | 48.4 | Very low | 63 Ų | 63 | 136.1 Ų | 136.1 | 52% | 0.521 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -107.6 | -24.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L161 | A159-L161 PolarHBondContact O-N 3.32Š|
| 160 | C | 53.8 | Low | 49.2 | Very low | 92 Ų | 92 | 137.9 Ų | 137.9 | 62% | 0.622 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -70.1 | -24.9 | -173 | -178.3 | 0 | 0 | 0 | 0 | 114.3 | L164 | C160-L164 VanDerWaalsContact O-CG 3.31Å; C160-L164 WeakPolarHBondContact O-CG 3.29Å |
| 161 | L | 54.7 | Low | 49.8 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 54% | 0.539 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -87.1 | -19 | -176.6 | -69.5 | 176.1 | 0 | 0 | 0 | 114.3 | F158 A159 Y165 | F158-L161 HydrophobicContact CE1-CD1 3.96Å; A159-L161 PolarHBondContact O-N 3.32Å; L161-Y165 WeakPolarHBondContact O-CD2 3.14Å |
| 162 | K | 54.1 | Low | 50.7 | Low | 159 Ų | 159 | 135 Ų | 135 | 69% | 0.691 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -82.5 | -38.4 | 177.9 | -167.2 | 167.7 | -178.6 | 177 | 0 | 111.5 | L164 Y165 D166 | K162-L164 VanDerWaalsContact C-N 3.33Å; K162-L164 PolarHBondContact O-N 3.49Å; K162-Y165 PolarHBondContact O-N 3.31Å; K162-D166 PolarHBondContact O-N 2.95Å |
| 163 | E | 58.2 | Low | 51.8 | Low | 139 Ų | 139 | 134.4 Ų | 134.4 | 65% | 0.65 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -66.9 | -31.9 | 177 | -68.6 | 177.2 | 174.7 | 0 | 0 | 112.7 | Y165 L167 | E163-Y165 VanDerWaalsContact C-N 3.34Å; E163-Y165 PolarHBondContact O-N 2.95Å; E163-L167 WeakPolarHBondContact O-CB 3.24Å; E163-L167 PolarHBondContact O-N 3.26Å |
| 164 | L | 55.4 | Low | 52.5 | Low | 105 Ų | 105 | 129.6 Ų | 129.6 | 55% | 0.55 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -71.5 | -25.9 | 176.5 | -69 | 177.2 | 0 | 0 | 0 | 113.7 | C160 K162 | C160-L164 VanDerWaalsContact O-CG 3.31Å; C160-L164 WeakPolarHBondContact O-CG 3.29Å; K162-L164 VanDerWaalsContact C-N 3.33Å; K162-L164 PolarHBondContact O-N 3.49Å |
| 165 | Y | 52.8 | Low | 53.2 | Low | 176 Ų | 176 | 130.8 Ų | 130.8 | 69% | 0.69 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -82.9 | -34.6 | 176 | -93.1 | -94.1 | 0 | 0 | 0 | 112.3 | L161 K162 E163 R168 | L161-Y165 WeakPolarHBondContact O-CD2 3.14Å; K162-Y165 PolarHBondContact O-N 3.31Å; E163-Y165 VanDerWaalsContact C-N 3.34Å; E163-Y165 PolarHBondContact O-N 2.95Å; Y165-R168 PolarHBondContact O-N 3.41Å |
| 166 | D | 55.9 | Low | 54 | Low | 91 Ų | 91 | 130.8 Ų | 130.8 | 49% | 0.487 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -70.3 | -35.3 | 173.8 | -75.6 | -21.2 | 0 | 0 | 0 | 111.6 | K162 R168 Q169 | K162-D166 PolarHBondContact O-N 2.95Å; D166-R168 PolarHBondContact O-N 2.84Å; D166-Q169 PolarHBondContact O-N 3.41Å |
| 167 | L | 57.3 | Low | 54.7 | Low | 113 Ų | 113 | 129.7 Ų | 129.7 | 59% | 0.592 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.7 | -22 | 177.6 | -149.6 | 69.8 | 0 | 0 | 0 | 113.1 | E163 F171 | E163-L167 WeakPolarHBondContact O-CB 3.24Å; E163-L167 PolarHBondContact O-N 3.26Å; L167-F171 WeakPolarHBondContact O-CD2 3.39Å; L167-F171 WeakPolarHBondContact O-CE2 3.37Å |
| 168 | R | 52.8 | Low | 55.2 | Low | 201 Ų | 201 | 126.8 Ų | 126.8 | 76% | 0.758 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -78 | -26.8 | 178.1 | -158.7 | -178.6 | -158.1 | -153.5 | 5 | 113.1 | Y165 D166 | Y165-R168 PolarHBondContact O-N 3.41Å; D166-R168 PolarHBondContact O-N 2.84Å |
| 169 | Q | 48.5 | Very low | 55.7 | Low | 159 Ų | 159 | 125.2 Ų | 125.2 | 74% | 0.743 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -82.7 | -12.3 | 179.1 | -78.7 | -165.5 | -8.7 | 0 | 0 | 113.9 | D166 | D166-Q169 PolarHBondContact O-N 3.41Å |
| 170 | H | 54 | Low | 56 | Low | 153 Ų | 153 | 128.9 Ų | 128.9 | 71% | 0.708 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 3.4 | 176.5 | -68.2 | -24.7 | 0 | 0 | 0 | 114.6 | V172 | H170-V172 PolarHBondContact O-N 3.28Š|
| 171 | F | 51.3 | Low | 56.4 | Low | 158 Ų | 158 | 127.9 Ų | 127.9 | 69% | 0.693 | 60% | 0.603 | S | S | * | * | trans | -80.2 | 48.3 | 166.6 | -76.5 | -82.2 | 0 | 0 | 0 | 112.1 | L167 Y173 | L167-F171 WeakPolarHBondContact O-CD2 3.39Å; L167-F171 WeakPolarHBondContact O-CE2 3.37Å; F171-Y173 PolarHBondContact O-N 2.79Å | ||
| 172 | V | 56.8 | Low | 56.7 | Low | 119 Ų | 119 | 127.5 Ų | 127.5 | 72% | 0.721 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -75.2 | 116.8 | 149.8 | 178.8 | 0 | 0 | 0 | 0 | 103.6 | H170 D174 | H170-V172 PolarHBondContact O-N 3.28Å; V172-D174 VanDerWaalsContact C-N 3.31Å; V172-D174 PolarHBondContact O-N 2.92Å |
| 173 | Y | 56.5 | Low | 56.9 | Low | 175 Ų | 175 | 123.3 Ų | 123.3 | 69% | 0.686 | 60% | 0.596 | S | S | * | * | trans | -44.1 | 97.2 | 178.9 | -89.4 | -94.2 | 0 | 0 | 0 | 110.1 | F171 H175 | F171-Y173 PolarHBondContact O-N 2.79Å; Y173-H175 PolarHBondContact O-N 2.94Å; Y173-H175 VanDerWaalsContact O-N 3.11Å; Y173-H175 PolarHBondContact O-ND1 3.01Å | ||
| 174 | D | 55.6 | Low | 56.7 | Low | 98 Ų | 98 | 122.4 Ų | 122.4 | 52% | 0.524 | 60% | 0.595 | S | S | . | * | trans | -59.3 | 121.4 | 177.5 | -165.6 | 0.5 | 0 | 0 | 0 | 105.1 | V172 V176 F177 A178 | V172-D174 VanDerWaalsContact C-N 3.31Å; V172-D174 PolarHBondContact O-N 2.92Å; D174-V176 PolarHBondContact O-N 3.29Å; D174-F177 HydrophobicContact CB-CB 3.96Å; D174-F177 WeakPolarHBondContact O-CA 3.4Å; D174-F177 WeakPolarHBondContact O-CB 3.21Å; D174-F177 PolarHBondContact O-N 3.17Å; D174-A178 PolarHBondContact O-N 2.91Å | ||
| 175 | H | 56.4 | Low | 56.6 | Low | 155 Ų | 155 | 125 Ų | 125 | 72% | 0.718 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.2 | -24.2 | -178.5 | -73.3 | 6.4 | 0 | 0 | 0 | 110.1 | Y173 E179 | Y173-H175 PolarHBondContact O-N 2.94Å; Y173-H175 VanDerWaalsContact O-N 3.11Å; Y173-H175 PolarHBondContact O-ND1 3.01Å; H175-E179 WeakPolarHBondContact O-CB 3.5Å; H175-E179 PolarHBondContact O-N 2.97Å |
| 176 | V | 61.1 | Low | 56.8 | Low | 88 Ų | 88 | 120.9 Ų | 120.9 | 53% | 0.533 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.6 | -35.3 | 170.1 | -170.8 | 0 | 0 | 0 | 0 | 112.6 | D174 K180 | D174-V176 PolarHBondContact O-N 3.29Å; V176-K180 WeakPolarHBondContact O-CB 3.36Å; V176-K180 PolarHBondContact O-N 3.21Å |
| 177 | F | 60.3 | Low | 57 | Low | 109 Ų | 109 | 123.1 Ų | 123.1 | 48% | 0.478 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -76 | -39.7 | 175.6 | -174.9 | -105.7 | 0 | 0 | 0 | 112 | D174 K180 I181 | D174-F177 HydrophobicContact CB-CB 3.96Å; D174-F177 WeakPolarHBondContact O-CA 3.4Å; D174-F177 WeakPolarHBondContact O-CB 3.21Å; D174-F177 PolarHBondContact O-N 3.17Å; F177-K180 PolarHBondContact O-N 2.98Å; F177-I181 HydrophobicContact CD1-CD1 3.57Å; F177-I181 HydrophobicContact CD1-CG1 4.43Å; F177-I181 HydrophobicContact CE1-CD1 3.21Å; F177-I181 HydrophobicContact CE1-CG1 4.23Å; F177-I181 HydrophobicContact CE2-CD1 4.44Å; F177-I181 HydrophobicContact CG-CD1 4.34Å; F177-I181 HydrophobicContact CZ-CD1 3.7Å; F177-I181 HydrophobicContact CZ-CG1 4.36Å; F177-I181 VanDerWaalsContact O-CG1 3.31Å; F177-I181 WeakPolarHBondContact O-CG1 3.38Å; F177-I181 PolarHBondContact O-N 3.39Å |
| 178 | A | 61.8 | Low | 57.2 | Low | 34 Ų | 34 | 120.6 Ų | 120.6 | 28% | 0.281 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.3 | -39.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | D174 I181 T182 | D174-A178 PolarHBondContact O-N 2.91Å; A178-I181 PolarHBondContact O-N 2.95Å; A178-T182 VanDerWaalsContact O-CB 3.3Å; A178-T182 WeakPolarHBondContact O-CB 3.47Å; A178-T182 PolarHBondContact O-N 3.2Å; A178-T182 PolarHBondContact O-OG1 3.27Å |
| 179 | E | 59.7 | Low | 58.1 | Low | 139 Ų | 139 | 113.2 Ų | 113.2 | 65% | 0.65 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.9 | -36.5 | 173.3 | -167.9 | 173.6 | -152.5 | 0 | 0 | 111.3 | H175 T182 S183 | H175-E179 WeakPolarHBondContact O-CB 3.5Å; H175-E179 PolarHBondContact O-N 2.97Å; E179-T182 PolarHBondContact O-N 3.42Å; E179-S183 WeakPolarHBondContact O-CB 3.33Å; E179-S183 PolarHBondContact O-N 2.97Å |
| 180 | K | 59.4 | Low | 59.5 | Low | 141 Ų | 141 | 109.9 Ų | 109.9 | 61% | 0.613 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.4 | -38.9 | 171.9 | -124.5 | 169.8 | -179.4 | -179.6 | 0 | 113.5 | V176 F177 L184 | V176-K180 WeakPolarHBondContact O-CB 3.36Å; V176-K180 PolarHBondContact O-N 3.21Å; F177-K180 PolarHBondContact O-N 2.98Å; K180-L184 WeakPolarHBondContact O-CB 3.45Å; K180-L184 WeakPolarHBondContact O-CD1 3.45Å; K180-L184 WeakPolarHBondContact O-CG 3.39Å; K180-L184 PolarHBondContact O-N 2.89Å |
| 181 | I | 61.9 | Low | 60.7 | Low | 70 Ų | 70 | 108 Ų | 108 | 36% | 0.359 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.4 | -42.5 | 174.4 | -69.6 | 168.4 | 0 | 0 | 0 | 110.1 | F177 A178 S183 L184 Q185 | F177-I181 HydrophobicContact CD1-CD1 3.57Å; F177-I181 HydrophobicContact CD1-CG1 4.43Å; F177-I181 HydrophobicContact CE1-CD1 3.21Å; F177-I181 HydrophobicContact CE1-CG1 4.23Å; F177-I181 HydrophobicContact CE2-CD1 4.44Å; F177-I181 HydrophobicContact CG-CD1 4.34Å; F177-I181 HydrophobicContact CZ-CD1 3.7Å; F177-I181 HydrophobicContact CZ-CG1 4.36Å; F177-I181 VanDerWaalsContact O-CG1 3.31Å; F177-I181 WeakPolarHBondContact O-CG1 3.38Å; F177-I181 PolarHBondContact O-N 3.39Å; A178-I181 PolarHBondContact O-N 2.95Å; I181-S183 VanDerWaalsContact C-N 3.32Å; I181-S183 PolarHBondContact O-N 3.11Å; I181-L184 PolarHBondContact O-N 3.37Å; I181-Q185 VanDerWaalsContact O-CB 3.29Å; I181-Q185 WeakPolarHBondContact O-CB 3.35Å; I181-Q185 PolarHBondContact O-N 2.93Å |
| 182 | T | 60.4 | Low | 62.3 | Low | 96 Ų | 96 | 105.6 Ų | 105.6 | 59% | 0.589 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67 | -34.6 | 177.2 | -49 | 0 | 0 | 0 | 0 | 111.4 | A178 E179 Q185 S186 | A178-T182 VanDerWaalsContact O-CB 3.3Å; A178-T182 WeakPolarHBondContact O-CB 3.47Å; A178-T182 PolarHBondContact O-N 3.2Å; A178-T182 PolarHBondContact O-OG1 3.27Å; E179-T182 PolarHBondContact O-N 3.42Å; T182-Q185 PolarHBondContact O-N 3.29Å; T182-S186 PolarHBondContact O-N 3.04Å; T182-S186 VanDerWaalsContact O-N 3.14Å |
| 183 | S | 58.1 | Low | 63.8 | Low | 70 Ų | 70 | 104.7 Ų | 104.7 | 49% | 0.49 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.5 | -31.3 | 172.5 | 159.8 | 0 | 0 | 0 | 0 | 113.6 | E179 I181 S186 | E179-S183 WeakPolarHBondContact O-CB 3.33Å; E179-S183 PolarHBondContact O-N 2.97Å; I181-S183 VanDerWaalsContact C-N 3.32Å; I181-S183 PolarHBondContact O-N 3.11Å; S183-S186 PolarHBondContact O-OG 3.04Å |
| 184 | L | 54.7 | Low | 65.4 | Low | 121 Ų | 121 | 102.7 Ų | 102.7 | 63% | 0.634 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -75.1 | -31.2 | 171.8 | -76.7 | 164.2 | 0 | 0 | 0 | 111.1 | K180 I181 S186 Q187 | K180-L184 WeakPolarHBondContact O-CB 3.45Å; K180-L184 WeakPolarHBondContact O-CD1 3.45Å; K180-L184 WeakPolarHBondContact O-CG 3.39Å; K180-L184 PolarHBondContact O-N 2.89Å; I181-L184 PolarHBondContact O-N 3.37Å; L184-S186 VanDerWaalsContact C-N 3.29Å; L184-Q187 PolarHBondContact O-N 3.05Å |
| 185 | Q | 53 | Low | 67.1 | Low | 158 Ų | 158 | 102.1 Ų | 102.1 | 74% | 0.738 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -8.6 | 175.6 | -165.5 | 158 | 13.5 | 0 | 0 | 113.5 | I181 T182 | I181-Q185 VanDerWaalsContact O-CB 3.29Å; I181-Q185 WeakPolarHBondContact O-CB 3.35Å; I181-Q185 PolarHBondContact O-N 2.93Å; T182-Q185 PolarHBondContact O-N 3.29Å |
| 186 | S | 57.1 | Low | 68.8 | Low | 91 Ų | 91 | 99 Ų | 99 | 64% | 0.636 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -8.4 | 169.4 | 66 | 0 | 0 | 0 | 0 | 113.9 | T182 S183 L184 | T182-S186 PolarHBondContact O-N 3.04Å; T182-S186 VanDerWaalsContact O-N 3.14Å; S183-S186 PolarHBondContact O-OG 3.04Å; L184-S186 VanDerWaalsContact C-N 3.29Å |
| 187 | Q | 60.7 | Low | 70.4 | Confident | 138 Ų | 138 | 100.4 Ų | 100.4 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -80.4 | 122.5 | 164 | -73.2 | -76.7 | -25 | 0 | 0 | 106.5 | L184 S189 | L184-Q187 PolarHBondContact O-N 3.05Å; Q187-S189 PolarHBondContact O-N 3.18Å |
| 188 | P | 60.9 | Low | 72.1 | Confident | 59 Ų | 59 | 100.6 Ų | 100.6 | 38% | 0.383 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 128 | 177.2 | 26.2 | -33.4 | 0 | 0 | 0 | 107.8 | E192 E193 | P188-E192 WeakPolarHBondContact CA-OE2 3.08Å; P188-E192 HydrophobicContact CB-CB 4.37Å; P188-E193 HydrophobicContact CB-CG 3.84Å; P188-E193 HydrophobicContact CG-CG 3.82Å; P188-E193 WeakPolarHBondContact CG-OE1 3.44Å |
| 189 | S | 71.6 | Confident | 73.7 | Confident | 46 Ų | 46 | 103.8 Ų | 103.8 | 32% | 0.322 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 147.5 | 173 | 56.2 | 0 | 0 | 0 | 0 | 108.6 | Q187 D191 E192 E193 | Q187-S189 PolarHBondContact O-N 3.18Å; S189-D191 PolarHBondContact O-N 3.47Å; S189-E192 PolarHBondContact N-OE2 3.43Å; S189-E192 WeakPolarHBondContact O-CA 3.24Å; S189-E192 WeakPolarHBondContact O-CB 3.42Å; S189-E192 PolarHBondContact O-N 3.44Å; S189-E192 VanDerWaalsContact OG-CG 3.22Å; S189-E192 WeakPolarHBondContact OG-CG 3.43Å; S189-E192 PolarHBondContact OG-N 3.27Å; S189-E192 PolarHBondContact OG-OE2 3.47Å; S189-E193 PolarHBondContact O-N 3.27Å; S189-E193 VanDerWaalsContact O-N 3.14Å |
| 190 | P | 77.4 | Confident | 75.5 | Confident | 90 Ų | 90 | 103.1 Ų | 103.1 | 58% | 0.584 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -52.6 | -33.8 | 179.8 | 19.3 | -31.8 | 0 | 0 | 0 | 111.9 | E192 E193 E194 | P190-E192 PolarHBondContact O-N 3.45Å; P190-E193 PolarHBondContact O-N 3.13Å; P190-E194 WeakPolarHBondContact O-CG 3.35Å; P190-E194 PolarHBondContact O-N 3.02Å |
| 191 | D | 81.1 | Confident | 77.3 | Confident | 114 Ų | 114 | 99.1 Ų | 99.1 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.9 | -33.7 | 175 | -57.7 | -16.7 | 0 | 0 | 0 | 113.1 | S189 N195 | S189-D191 PolarHBondContact O-N 3.47Å; D191-N195 VanDerWaalsContact O-CB 3.24Å; D191-N195 WeakPolarHBondContact O-CB 3.44Å; D191-N195 PolarHBondContact O-N 3.23Å |
| 192 | E | 85 | Confident | 79 | Confident | 107 Ų | 107 | 98.9 Ų | 98.9 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.4 | -38.5 | 175.2 | -77.8 | 166.2 | 157.5 | 0 | 0 | 111.9 | P188 S189 P190 N195 E196 | P188-E192 WeakPolarHBondContact CA-OE2 3.08Å; P188-E192 HydrophobicContact CB-CB 4.37Å; S189-E192 PolarHBondContact N-OE2 3.43Å; S189-E192 WeakPolarHBondContact O-CA 3.24Å; S189-E192 WeakPolarHBondContact O-CB 3.42Å; S189-E192 PolarHBondContact O-N 3.44Å; S189-E192 VanDerWaalsContact OG-CG 3.22Å; S189-E192 WeakPolarHBondContact OG-CG 3.43Å; S189-E192 PolarHBondContact OG-N 3.27Å; S189-E192 PolarHBondContact OG-OE2 3.47Å; P190-E192 PolarHBondContact O-N 3.45Å; E192-N195 PolarHBondContact O-N 3.37Å; E192-E196 WeakPolarHBondContact O-CG 3.37Å; E192-E196 PolarHBondContact O-N 2.94Å |
| 193 | E | 87.1 | Confident | 80.8 | Confident | 100 Ų | 100 | 98.3 Ų | 98.3 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 173.4 | -62.5 | -171.3 | 156.9 | 0 | 0 | 110.6 | P188 S189 P190 N195 E196 H197 | P188-E193 HydrophobicContact CB-CG 3.84Å; P188-E193 HydrophobicContact CG-CG 3.82Å; P188-E193 WeakPolarHBondContact CG-OE1 3.44Å; S189-E193 PolarHBondContact O-N 3.27Å; S189-E193 VanDerWaalsContact O-N 3.14Å; P190-E193 PolarHBondContact O-N 3.13Å; E193-N195 VanDerWaalsContact C-N 3.29Å; E193-N195 PolarHBondContact O-N 3.22Å; E193-E196 PolarHBondContact O-N 2.9Å; E193-H197 WeakPolarHBondContact O-CB 3.36Å; E193-H197 PolarHBondContact O-CD2 2.89Å; E193-H197 PolarHBondContact O-N 2.92Å |
| 194 | E | 90.9 | Very high | 82.7 | Confident | 133 Ų | 133 | 100.3 Ų | 100.3 | 62% | 0.621 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.2 | -39.7 | 174.7 | -74.3 | -176.1 | -172.6 | 0 | 0 | 112 | P190 H197 L198 | P190-E194 WeakPolarHBondContact O-CG 3.35Å; P190-E194 PolarHBondContact O-N 3.02Å; E194-H197 PolarHBondContact O-N 2.89Å; E194-L198 VanDerWaalsContact O-CB 3.29Å; E194-L198 WeakPolarHBondContact O-CB 3.48Å; E194-L198 PolarHBondContact O-N 3.43Å |
| 195 | N | 90 | Very high | 84.7 | Confident | 86 Ų | 86 | 99.4 Ų | 99.4 | 46% | 0.46 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 177.1 | -157.9 | -23 | 0 | 0 | 0 | 111.8 | D191 E192 E193 L198 K199 | D191-N195 VanDerWaalsContact O-CB 3.24Å; D191-N195 WeakPolarHBondContact O-CB 3.44Å; D191-N195 PolarHBondContact O-N 3.23Å; E192-N195 PolarHBondContact O-N 3.37Å; E193-N195 VanDerWaalsContact C-N 3.29Å; E193-N195 PolarHBondContact O-N 3.22Å; N195-L198 PolarHBondContact O-N 3Å; N195-K199 WeakPolarHBondContact O-CB 3.28Å; N195-K199 VanDerWaalsContact O-CG 3.25Å; N195-K199 WeakPolarHBondContact O-CG 3.47Å; N195-K199 PolarHBondContact O-N 2.94Å; N195-K199 VanDerWaalsContact OD1-CE 3.31Å; N195-K199 WeakPolarHBondContact OD1-CE 3.34Å |
| 196 | E | 92.8 | Very high | 86.9 | Confident | 90 Ų | 90 | 97.6 Ų | 97.6 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 172.8 | -73.7 | -57 | 124.5 | 0 | 0 | 112.3 | E192 E193 K199 K200 | E192-E196 WeakPolarHBondContact O-CG 3.37Å; E192-E196 PolarHBondContact O-N 2.94Å; E193-E196 PolarHBondContact O-N 2.9Å; E196-K199 PolarHBondContact O-N 3.16Å; E196-K199 WeakPolarHBondContact OE1-CD 3.43Å; E196-K199 IonicContact OE1-NZ 2.72Å; E196-K199 PolarHBondContact OE1-NZ 3.39Å; E196-K200 WeakPolarHBondContact O-CB 3.48Å; E196-K200 VanDerWaalsContact O-CG 3.24Å; E196-K200 WeakPolarHBondContact O-CG 3.48Å; E196-K200 PolarHBondContact O-N 2.87Å |
| 197 | H | 93.9 | Very high | 88.8 | Confident | 117 Ų | 117 | 96 Ų | 96 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 171.6 | -79.9 | -68.6 | 0 | 0 | 0 | 111.5 | E193 E194 K200 T201 | E193-H197 WeakPolarHBondContact O-CB 3.36Å; E193-H197 PolarHBondContact O-CD2 2.89Å; E193-H197 PolarHBondContact O-N 2.92Å; E194-H197 PolarHBondContact O-N 2.89Å; H197-K200 WeakPolarHBondContact O-CB 3.39Å; H197-K200 PolarHBondContact O-N 3.27Å; H197-T201 WeakPolarHBondContact O-CG2 3.31Å; H197-T201 PolarHBondContact O-N 2.91Å; H197-T201 PolarHBondContact O-OG1 3.44Å |
| 198 | L | 96.3 | Very high | 90.5 | Very high | 112 Ų | 112 | 94.5 Ų | 94.5 | 59% | 0.586 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.1 | -38 | 178.6 | -159.3 | 67.8 | 0 | 0 | 0 | 111.7 | E194 N195 T201 V202 | E194-L198 VanDerWaalsContact O-CB 3.29Å; E194-L198 WeakPolarHBondContact O-CB 3.48Å; E194-L198 PolarHBondContact O-N 3.43Å; N195-L198 PolarHBondContact O-N 3Å; L198-T201 WeakPolarHBondContact CA-OG1 3.46Å; L198-T201 PolarHBondContact O-N 3.37Å; L198-T201 PolarHBondContact O-OG1 2.89Å; L198-V202 WeakPolarHBondContact O-CB 3.31Å; L198-V202 WeakPolarHBondContact O-CG2 3.43Å; L198-V202 PolarHBondContact O-N 2.97Å |
| 199 | K | 96.6 | Very high | 92.3 | Very high | 102 Ų | 102 | 96 Ų | 96 | 44% | 0.443 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 171.5 | -73.4 | 171.8 | -163.2 | 167.3 | 0 | 111.5 | N195 E196 V202 T203 | N195-K199 WeakPolarHBondContact O-CB 3.28Å; N195-K199 VanDerWaalsContact O-CG 3.25Å; N195-K199 WeakPolarHBondContact O-CG 3.47Å; N195-K199 PolarHBondContact O-N 2.94Å; N195-K199 VanDerWaalsContact OD1-CE 3.31Å; N195-K199 WeakPolarHBondContact OD1-CE 3.34Å; E196-K199 PolarHBondContact O-N 3.16Å; E196-K199 WeakPolarHBondContact OE1-CD 3.43Å; E196-K199 IonicContact OE1-NZ 2.72Å; E196-K199 PolarHBondContact OE1-NZ 3.39Å; K199-V202 PolarHBondContact O-N 3.44Å; K199-T203 WeakPolarHBondContact O-CG2 3.21Å; K199-T203 PolarHBondContact O-N 3.49Å; K199-T203 PolarHBondContact O-OG1 2.75Å |
| 200 | K | 96.9 | Very high | 93.5 | Very high | 124 Ų | 124 | 97 Ų | 97 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 176.2 | -72.3 | 167.3 | -173 | 170.1 | 0 | 112.2 | E196 H197 T203 M204 | E196-K200 WeakPolarHBondContact O-CB 3.48Å; E196-K200 VanDerWaalsContact O-CG 3.24Å; E196-K200 WeakPolarHBondContact O-CG 3.48Å; E196-K200 PolarHBondContact O-N 2.87Å; H197-K200 WeakPolarHBondContact O-CB 3.39Å; H197-K200 PolarHBondContact O-N 3.27Å; K200-T203 PolarHBondContact O-OG1 3.17Å; K200-M204 VanDerWaalsContact O-CB 3.29Å; K200-M204 WeakPolarHBondContact O-CB 3.43Å; K200-M204 PolarHBondContact O-N 2.9Å |
| 201 | T | 97.6 | Very high | 94.5 | Very high | 58 Ų | 58 | 96.8 Ų | 96.8 | 36% | 0.356 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.8 | -39.1 | 176.5 | 58.2 | 0 | 0 | 0 | 0 | 111.3 | H197 L198 M204 L205 | H197-T201 WeakPolarHBondContact O-CG2 3.31Å; H197-T201 PolarHBondContact O-N 2.91Å; H197-T201 PolarHBondContact O-OG1 3.44Å; L198-T201 WeakPolarHBondContact CA-OG1 3.46Å; L198-T201 PolarHBondContact O-N 3.37Å; L198-T201 PolarHBondContact O-OG1 2.89Å; T201-M204 PolarHBondContact O-N 2.96Å; T201-L205 WeakPolarHBondContact O-CB 3.39Å; T201-L205 VanDerWaalsContact O-CG 3.24Å; T201-L205 WeakPolarHBondContact O-CG 3.09Å; T201-L205 PolarHBondContact O-N 3.32Å |
| 202 | V | 97.4 | Very high | 95.3 | Very high | 65 Ų | 65 | 95.6 Ų | 95.6 | 39% | 0.394 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 175.1 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | L198 K199 L205 Q206 | L198-V202 WeakPolarHBondContact O-CB 3.31Å; L198-V202 WeakPolarHBondContact O-CG2 3.43Å; L198-V202 PolarHBondContact O-N 2.97Å; K199-V202 PolarHBondContact O-N 3.44Å; V202-L205 PolarHBondContact O-N 2.96Å; V202-Q206 HydrophobicContact CG1-CG 4.4Å; V202-Q206 WeakPolarHBondContact O-CB 3.41Å; V202-Q206 WeakPolarHBondContact O-CG 3.32Å; V202-Q206 PolarHBondContact O-N 3.31Å |
| 203 | T | 97.7 | Very high | 95.9 | Very high | 83 Ų | 83 | 98.1 Ų | 98.1 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -38.5 | 177.5 | 55.8 | 0 | 0 | 0 | 0 | 112 | K199 K200 Q206 A207 | K199-T203 WeakPolarHBondContact O-CG2 3.21Å; K199-T203 PolarHBondContact O-N 3.49Å; K199-T203 PolarHBondContact O-OG1 2.75Å; K200-T203 PolarHBondContact O-OG1 3.17Å; T203-Q206 PolarHBondContact O-N 2.91Å; T203-A207 WeakPolarHBondContact O-CB 3.48Å; T203-A207 PolarHBondContact O-N 3.42Å |
| 204 | M | 97.7 | Very high | 96.4 | Very high | 113 Ų | 113 | 99.5 Ų | 99.5 | 56% | 0.557 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.2 | -47.6 | 173.3 | -179.3 | 179.6 | 68.3 | 0 | 0 | 111.8 | K200 T201 Q206 A207 Q208 | K200-M204 VanDerWaalsContact O-CB 3.29Å; K200-M204 WeakPolarHBondContact O-CB 3.43Å; K200-M204 PolarHBondContact O-N 2.9Å; T201-M204 PolarHBondContact O-N 2.96Å; M204-Q206 VanDerWaalsContact C-N 3.32Å; M204-Q206 PolarHBondContact O-N 2.94Å; M204-A207 PolarHBondContact O-N 3.21Å; M204-Q208 WeakPolarHBondContact O-CB 3.41Å; M204-Q208 PolarHBondContact O-N 3.22Å |
| 205 | L | 97.7 | Very high | 96.7 | Very high | 101 Ų | 101 | 97.7 Ų | 97.7 | 53% | 0.529 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 177.6 | -71.9 | 173.9 | 0 | 0 | 0 | 111.8 | T201 V202 Q208 L209 | T201-L205 WeakPolarHBondContact O-CB 3.39Å; T201-L205 VanDerWaalsContact O-CG 3.24Å; T201-L205 WeakPolarHBondContact O-CG 3.09Å; T201-L205 PolarHBondContact O-N 3.32Å; V202-L205 PolarHBondContact O-N 2.96Å; L205-Q208 PolarHBondContact O-N 3.47Å; L205-L209 VanDerWaalsContact O-CB 3.3Å; L205-L209 WeakPolarHBondContact O-CB 3.48Å; L205-L209 PolarHBondContact O-N 3.01Å |
| 206 | Q | 97.9 | Very high | 97.1 | Very high | 121 Ų | 121 | 101.7 Ų | 101.7 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.7 | -42.1 | 173 | -76.7 | 172.7 | -6.3 | 0 | 0 | 112 | V202 T203 M204 L209 S210 | V202-Q206 HydrophobicContact CG1-CG 4.4Å; V202-Q206 WeakPolarHBondContact O-CB 3.41Å; V202-Q206 WeakPolarHBondContact O-CG 3.32Å; V202-Q206 PolarHBondContact O-N 3.31Å; T203-Q206 PolarHBondContact O-N 2.91Å; M204-Q206 VanDerWaalsContact C-N 3.32Å; M204-Q206 PolarHBondContact O-N 2.94Å; Q206-L209 PolarHBondContact O-N 2.93Å; Q206-S210 PolarHBondContact O-N 3.3Å; Q206-S210 PolarHBondContact O-OG 3.28Å |
| 207 | A | 97.1 | Very high | 97.3 | Very high | 56 Ų | 56 | 100.9 Ų | 100.9 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.8 | -37.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T203 M204 S210 L211 | T203-A207 WeakPolarHBondContact O-CB 3.48Å; T203-A207 PolarHBondContact O-N 3.42Å; M204-A207 PolarHBondContact O-N 3.21Å; A207-S210 PolarHBondContact O-N 3.45Å; A207-S210 PolarHBondContact O-OG 3.4Å; A207-L211 WeakPolarHBondContact O-CB 3.36Å; A207-L211 PolarHBondContact O-N 2.92Å |
| 208 | Q | 97.2 | Very high | 97.5 | Very high | 107 Ų | 107 | 98 Ų | 98 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 174.4 | -171.7 | 176.3 | -1.4 | 0 | 0 | 111.1 | M204 L205 S210 L211 E212 | M204-Q208 WeakPolarHBondContact O-CB 3.41Å; M204-Q208 PolarHBondContact O-N 3.22Å; L205-Q208 PolarHBondContact O-N 3.47Å; Q208-S210 PolarHBondContact O-N 3.43Å; Q208-L211 PolarHBondContact O-N 3.26Å; Q208-E212 WeakPolarHBondContact O-CB 3.41Å; Q208-E212 WeakPolarHBondContact O-CG 3.34Å; Q208-E212 PolarHBondContact O-N 2.9Å |
| 209 | L | 97.9 | Very high | 97.5 | Very high | 90 Ų | 90 | 98.2 Ų | 98.2 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 176.1 | -177.6 | 67.1 | 0 | 0 | 0 | 112.1 | L205 Q206 R213 | L205-L209 VanDerWaalsContact O-CB 3.3Å; L205-L209 WeakPolarHBondContact O-CB 3.48Å; L205-L209 PolarHBondContact O-N 3.01Å; Q206-L209 PolarHBondContact O-N 2.93Å; L209-R213 WeakPolarHBondContact O-CB 3.29Å; L209-R213 VanDerWaalsContact O-CG 3.25Å; L209-R213 WeakPolarHBondContact O-CG 3.34Å; L209-R213 PolarHBondContact O-N 3.4Å |
| 210 | S | 97.3 | Very high | 97.6 | Very high | 69 Ų | 69 | 98.1 Ų | 98.1 | 48% | 0.483 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 176.6 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | Q206 A207 Q208 R213 Q214 | Q206-S210 PolarHBondContact O-N 3.3Å; Q206-S210 PolarHBondContact O-OG 3.28Å; A207-S210 PolarHBondContact O-N 3.45Å; A207-S210 PolarHBondContact O-OG 3.4Å; Q208-S210 PolarHBondContact O-N 3.43Å; S210-R213 PolarHBondContact O-N 3.4Å; S210-Q214 PolarHBondContact O-N 2.95Å |
| 211 | L | 97.9 | Very high | 97.6 | Very high | 84 Ų | 84 | 98.2 Ų | 98.2 | 44% | 0.44 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 174.2 | -178.7 | 64.4 | 0 | 0 | 0 | 111.7 | A207 Q208 R213 Q214 K215 | A207-L211 WeakPolarHBondContact O-CB 3.36Å; A207-L211 PolarHBondContact O-N 2.92Å; Q208-L211 PolarHBondContact O-N 3.26Å; L211-R213 VanDerWaalsContact C-N 3.32Å; L211-R213 PolarHBondContact O-N 2.83Å; L211-Q214 PolarHBondContact O-N 3.24Å; L211-K215 WeakPolarHBondContact O-CG 3.44Å; L211-K215 PolarHBondContact O-N 2.99Å |
| 212 | E | 97.6 | Very high | 97.6 | Very high | 89 Ų | 89 | 100.6 Ų | 100.6 | 42% | 0.416 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -36.4 | 177 | -73.1 | -55.3 | 129.5 | 0 | 0 | 112.2 | Q208 K215 R216 | Q208-E212 WeakPolarHBondContact O-CB 3.41Å; Q208-E212 WeakPolarHBondContact O-CG 3.34Å; Q208-E212 PolarHBondContact O-N 2.9Å; E212-K215 PolarHBondContact O-N 3.37Å; E212-K215 IonicContact OE1-NZ 3.94Å; E212-K215 PolarHBondContact OE1-NZ 3Å; E212-R216 WeakPolarHBondContact O-CB 3.37Å; E212-R216 PolarHBondContact O-N 2.87Å |
| 213 | R | 98 | Very high | 97.6 | Very high | 161 Ų | 161 | 104.6 Ų | 104.6 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | 171.6 | -77.1 | 172.2 | 177.4 | 178.2 | -0.2 | 111.9 | L209 S210 L211 R216 V217 | L209-R213 WeakPolarHBondContact O-CB 3.29Å; L209-R213 VanDerWaalsContact O-CG 3.25Å; L209-R213 WeakPolarHBondContact O-CG 3.34Å; L209-R213 PolarHBondContact O-N 3.4Å; S210-R213 PolarHBondContact O-N 3.4Å; L211-R213 VanDerWaalsContact C-N 3.32Å; L211-R213 PolarHBondContact O-N 2.83Å; R213-R216 PolarHBondContact O-N 2.85Å; R213-V217 WeakPolarHBondContact O-CG2 3.26Å; R213-V217 PolarHBondContact O-N 3.04Å |
| 214 | Q | 98 | Very high | 97.6 | Very high | 128 Ų | 128 | 101.9 Ų | 101.9 | 60% | 0.598 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.5 | -47.7 | 177.5 | -176.1 | 176.2 | 5 | 0 | 0 | 111.2 | S210 L211 R216 V217 T218 | S210-Q214 PolarHBondContact O-N 2.95Å; L211-Q214 PolarHBondContact O-N 3.24Å; Q214-R216 VanDerWaalsContact C-N 3.28Å; Q214-R216 PolarHBondContact O-N 3.12Å; Q214-V217 PolarHBondContact O-N 2.94Å; Q214-V217 VanDerWaalsContact O-N 3.14Å; Q214-T218 PolarHBondContact O-N 3.43Å |
| 215 | K | 97.9 | Very high | 97.6 | Very high | 95 Ų | 95 | 101.2 Ų | 101.2 | 41% | 0.413 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.4 | -42.5 | 174.9 | -71 | 177.3 | -174.3 | 169.4 | 0 | 111.8 | L211 E212 V217 T218 M219 | L211-K215 WeakPolarHBondContact O-CG 3.44Å; L211-K215 PolarHBondContact O-N 2.99Å; E212-K215 PolarHBondContact O-N 3.37Å; E212-K215 IonicContact OE1-NZ 3.94Å; E212-K215 PolarHBondContact OE1-NZ 3Å; K215-V217 VanDerWaalsContact C-N 3.32Å; K215-V217 PolarHBondContact O-N 3.35Å; K215-T218 WeakPolarHBondContact CA-OG1 3.37Å; K215-T218 PolarHBondContact O-N 3.46Å; K215-T218 PolarHBondContact O-OG1 3.35Å; K215-M219 WeakPolarHBondContact O-CB 3.36Å; K215-M219 WeakPolarHBondContact O-CG 3.43Å; K215-M219 PolarHBondContact O-N 3.39Å |
| 216 | R | 97.7 | Very high | 97.7 | Very high | 170 Ų | 170 | 100.3 Ų | 100.3 | 64% | 0.642 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.8 | -43.9 | 176.9 | 179.7 | 178.5 | 168.2 | 163.6 | 1.6 | 111.6 | E212 R213 Q214 M219 E220 | E212-R216 WeakPolarHBondContact O-CB 3.37Å; E212-R216 PolarHBondContact O-N 2.87Å; R213-R216 PolarHBondContact O-N 2.85Å; Q214-R216 VanDerWaalsContact C-N 3.28Å; Q214-R216 PolarHBondContact O-N 3.12Å; R216-M219 PolarHBondContact O-N 2.89Å; R216-E220 HydrophobicContact CG-CG 4.43Å; R216-E220 IonicContact CZ-OE1 3.37Å; R216-E220 IonicContact NE-OE1 3.18Å; R216-E220 PolarHBondContact NE-OE1 2.98Å; R216-E220 IonicContact NH2-OE1 3.05Å; R216-E220 PolarHBondContact NH2-OE1 3.45Å; R216-E220 WeakPolarHBondContact O-CB 3.43Å; R216-E220 WeakPolarHBondContact O-CG 3.47Å; R216-E220 PolarHBondContact O-N 2.75Å |
| 217 | V | 98.1 | Very high | 97.7 | Very high | 73 Ų | 73 | 98.5 Ų | 98.5 | 44% | 0.442 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 177.6 | 172.9 | 0 | 0 | 0 | 0 | 111 | R213 Q214 K215 M219 E220 E221 | R213-V217 WeakPolarHBondContact O-CG2 3.26Å; R213-V217 PolarHBondContact O-N 3.04Å; Q214-V217 PolarHBondContact O-N 2.94Å; Q214-V217 VanDerWaalsContact O-N 3.14Å; K215-V217 VanDerWaalsContact C-N 3.32Å; K215-V217 PolarHBondContact O-N 3.35Å; V217-M219 VanDerWaalsContact C-N 3.34Å; V217-M219 PolarHBondContact O-N 3.32Å; V217-E220 PolarHBondContact O-N 3.05Å; V217-E221 WeakPolarHBondContact O-CG 3.41Å; V217-E221 PolarHBondContact O-N 3.01Å |
| 218 | T | 97.8 | Very high | 97.7 | Very high | 56 Ų | 56 | 101.9 Ų | 101.9 | 34% | 0.344 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 178.2 | 59.9 | 0 | 0 | 0 | 0 | 111.8 | Q214 K215 E221 E222 | Q214-T218 PolarHBondContact O-N 3.43Å; K215-T218 WeakPolarHBondContact CA-OG1 3.37Å; K215-T218 PolarHBondContact O-N 3.46Å; K215-T218 PolarHBondContact O-OG1 3.35Å; T218-E221 PolarHBondContact O-N 3.47Å; T218-E222 WeakPolarHBondContact O-CG 3.33Å; T218-E222 PolarHBondContact O-N 2.99Å |
| 219 | M | 95.6 | Very high | 97.8 | Very high | 117 Ų | 117 | 102.4 Ų | 102.4 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.2 | -36.9 | 175.6 | -64.8 | -63.8 | -64.7 | 0 | 0 | 112.1 | K215 R216 V217 E222 Y223 | K215-M219 WeakPolarHBondContact O-CB 3.36Å; K215-M219 WeakPolarHBondContact O-CG 3.43Å; K215-M219 PolarHBondContact O-N 3.39Å; R216-M219 PolarHBondContact O-N 2.89Å; V217-M219 VanDerWaalsContact C-N 3.34Å; V217-M219 PolarHBondContact O-N 3.32Å; M219-E222 PolarHBondContact O-N 3.01Å; M219-Y223 VanDerWaalsContact O-CB 3.25Å; M219-Y223 WeakPolarHBondContact O-CB 3.37Å; M219-Y223 PolarHBondContact O-N 3.49Å |
| 220 | E | 97.9 | Very high | 97.7 | Very high | 101 Ų | 101 | 101.9 Ų | 101.9 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -37.9 | 174.5 | -80.4 | 176.7 | -172.6 | 0 | 0 | 111.6 | R216 V217 G224 | R216-E220 HydrophobicContact CG-CG 4.43Å; R216-E220 IonicContact CZ-OE1 3.37Å; R216-E220 IonicContact NE-OE1 3.18Å; R216-E220 PolarHBondContact NE-OE1 2.98Å; R216-E220 IonicContact NH2-OE1 3.05Å; R216-E220 PolarHBondContact NH2-OE1 3.45Å; R216-E220 WeakPolarHBondContact O-CB 3.43Å; R216-E220 WeakPolarHBondContact O-CG 3.47Å; R216-E220 PolarHBondContact O-N 2.75Å; V217-E220 PolarHBondContact O-N 3.05Å; E220-G224 PolarHBondContact O-N 3.38Å |
| 221 | E | 98.1 | Very high | 97.7 | Very high | 125 Ų | 125 | 100.9 Ų | 100.9 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.2 | -48 | 173.8 | -71.9 | 172.3 | 179 | 0 | 0 | 111.8 | V217 T218 G224 L225 | V217-E221 WeakPolarHBondContact O-CG 3.41Å; V217-E221 PolarHBondContact O-N 3.01Å; T218-E221 PolarHBondContact O-N 3.47Å; E221-G224 WeakPolarHBondContact O-CA 3.39Å; E221-G224 PolarHBondContact O-N 3.47Å; E221-G224 VanDerWaalsContact O-N 3.14Å; E221-L225 WeakPolarHBondContact O-CG 3.46Å; E221-L225 PolarHBondContact O-N 2.85Å |
| 222 | E | 97.6 | Very high | 97.7 | Very high | 108 Ų | 108 | 102.2 Ų | 102.2 | 51% | 0.505 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 176.1 | -72.5 | 174.1 | 179 | 0 | 0 | 111.6 | T218 M219 G224 L225 V226 | T218-E222 WeakPolarHBondContact O-CG 3.33Å; T218-E222 PolarHBondContact O-N 2.99Å; M219-E222 PolarHBondContact O-N 3.01Å; E222-G224 VanDerWaalsContact C-N 3.28Å; E222-G224 PolarHBondContact O-N 2.67Å; E222-L225 WeakPolarHBondContact O-CB 3.29Å; E222-L225 PolarHBondContact O-N 3.24Å; E222-L225 VanDerWaalsContact O-N 3.1Å; E222-V226 WeakPolarHBondContact O-CG2 3.48Å; E222-V226 PolarHBondContact O-N 3.29Å |
| 223 | Y | 96.9 | Very high | 97.7 | Very high | 150 Ų | 150 | 103 Ų | 103 | 59% | 0.588 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.6 | -39.5 | 174.5 | -177.8 | -106.5 | 0 | 0 | 0 | 111.7 | M219 L225 V226 L227 | M219-Y223 VanDerWaalsContact O-CB 3.25Å; M219-Y223 WeakPolarHBondContact O-CB 3.37Å; M219-Y223 PolarHBondContact O-N 3.49Å; Y223-L225 VanDerWaalsContact C-N 3.31Å; Y223-L225 PolarHBondContact O-N 3.43Å; Y223-V226 PolarHBondContact O-N 3.21Å; Y223-L227 HydrophobicContact CD1-CD1 3.8Å; Y223-L227 HydrophobicContact CD1-CG 4.21Å; Y223-L227 HydrophobicContact CE1-CD1 3.31Å; Y223-L227 HydrophobicContact CE1-CD2 4.36Å; Y223-L227 HydrophobicContact CE1-CG 3.82Å; Y223-L227 HydrophobicContact CE2-CG 4.38Å; Y223-L227 WeakPolarHBondContact O-CB 3.28Å; Y223-L227 WeakPolarHBondContact O-CG 3.38Å; Y223-L227 PolarHBondContact O-N 3.48Å |
| 224 | G | 98.1 | Very high | 97.7 | Very high | 26 Ų | 26 | 101.5 Ų | 101.5 | 27% | 0.268 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -35.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | E220 E221 E222 K228 | E220-G224 PolarHBondContact O-N 3.38Å; E221-G224 WeakPolarHBondContact O-CA 3.39Å; E221-G224 PolarHBondContact O-N 3.47Å; E221-G224 VanDerWaalsContact O-N 3.14Å; E222-G224 VanDerWaalsContact C-N 3.28Å; E222-G224 PolarHBondContact O-N 2.67Å; G224-K228 WeakPolarHBondContact O-CG 3.31Å; G224-K228 PolarHBondContact O-N 2.94Å |
| 225 | L | 98.1 | Very high | 97.7 | Very high | 99 Ų | 99 | 102 Ų | 102 | 52% | 0.518 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.3 | -47.7 | 173.8 | -66.4 | 173.9 | 0 | 0 | 0 | 111.3 | E221 E222 Y223 L227 K228 E229 | E221-L225 WeakPolarHBondContact O-CG 3.46Å; E221-L225 PolarHBondContact O-N 2.85Å; E222-L225 WeakPolarHBondContact O-CB 3.29Å; E222-L225 PolarHBondContact O-N 3.24Å; E222-L225 VanDerWaalsContact O-N 3.1Å; Y223-L225 VanDerWaalsContact C-N 3.31Å; Y223-L225 PolarHBondContact O-N 3.43Å; L225-L227 VanDerWaalsContact C-N 3.28Å; L225-L227 PolarHBondContact O-N 3.04Å; L225-K228 WeakPolarHBondContact O-CB 3.36Å; L225-K228 PolarHBondContact O-N 3.47Å; L225-E229 PolarHBondContact O-N 3.31Å |
| 226 | V | 98.1 | Very high | 97.7 | Very high | 82 Ų | 82 | 103.1 Ų | 103.1 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60 | -39.5 | 178.1 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | E222 Y223 K228 E229 N230 | E222-V226 WeakPolarHBondContact O-CG2 3.48Å; E222-V226 PolarHBondContact O-N 3.29Å; Y223-V226 PolarHBondContact O-N 3.21Å; V226-K228 VanDerWaalsContact C-N 3.33Å; V226-K228 PolarHBondContact O-N 2.91Å; V226-E229 PolarHBondContact O-N 3.45Å; V226-N230 WeakPolarHBondContact O-CB 3.24Å; V226-N230 PolarHBondContact O-N 3Å |
| 227 | L | 98.4 | Very high | 97.6 | Very high | 83 Ų | 83 | 101 Ų | 101 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 174.8 | -79.8 | -179.3 | 0 | 0 | 0 | 112.7 | Y223 L225 N230 S231 | Y223-L227 HydrophobicContact CD1-CD1 3.8Å; Y223-L227 HydrophobicContact CD1-CG 4.21Å; Y223-L227 HydrophobicContact CE1-CD1 3.31Å; Y223-L227 HydrophobicContact CE1-CD2 4.36Å; Y223-L227 HydrophobicContact CE1-CG 3.82Å; Y223-L227 HydrophobicContact CE2-CG 4.38Å; Y223-L227 WeakPolarHBondContact O-CB 3.28Å; Y223-L227 WeakPolarHBondContact O-CG 3.38Å; Y223-L227 PolarHBondContact O-N 3.48Å; L225-L227 VanDerWaalsContact C-N 3.28Å; L225-L227 PolarHBondContact O-N 3.04Å; L227-N230 PolarHBondContact O-N 2.86Å; L227-S231 PolarHBondContact O-N 2.85Å |
| 228 | K | 98.4 | Very high | 97.6 | Very high | 127 Ų | 127 | 99.8 Ų | 99.8 | 55% | 0.552 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.1 | -49.1 | 176.2 | -72.1 | 171.3 | -176.7 | 176.4 | 0 | 110.8 | G224 L225 V226 N230 S231 E232 | G224-K228 WeakPolarHBondContact O-CG 3.31Å; G224-K228 PolarHBondContact O-N 2.94Å; L225-K228 WeakPolarHBondContact O-CB 3.36Å; L225-K228 PolarHBondContact O-N 3.47Å; V226-K228 VanDerWaalsContact C-N 3.33Å; V226-K228 PolarHBondContact O-N 2.91Å; K228-N230 VanDerWaalsContact C-N 3.28Å; K228-N230 PolarHBondContact O-N 3.05Å; K228-S231 PolarHBondContact O-N 3.14Å; K228-S231 VanDerWaalsContact O-N 3.12Å; K228-S231 PolarHBondContact O-OG 3.33Å; K228-E232 WeakPolarHBondContact O-CG 3.49Å; K228-E232 PolarHBondContact O-N 3.29Å |
| 229 | E | 98.2 | Very high | 97.6 | Very high | 117 Ų | 117 | 99.1 Ų | 99.1 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.1 | -43 | 176.3 | -69.1 | 177.4 | -179.6 | 0 | 0 | 111.5 | L225 V226 S231 E232 L233 | L225-E229 PolarHBondContact O-N 3.31Å; V226-E229 PolarHBondContact O-N 3.45Å; E229-S231 PolarHBondContact O-N 2.9Å; E229-E232 PolarHBondContact O-N 3Å; E229-L233 VanDerWaalsContact O-CG 3.3Å; E229-L233 WeakPolarHBondContact O-CG 3.48Å; E229-L233 PolarHBondContact O-N 2.78Å |
| 230 | N | 95.8 | Very high | 97.6 | Very high | 80 Ų | 80 | 96.8 Ų | 96.8 | 43% | 0.428 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 176.3 | -164.5 | -24.5 | 0 | 0 | 0 | 111.4 | V226 L227 K228 E232 L233 E234 | V226-N230 WeakPolarHBondContact O-CB 3.24Å; V226-N230 PolarHBondContact O-N 3Å; L227-N230 PolarHBondContact O-N 2.86Å; K228-N230 VanDerWaalsContact C-N 3.28Å; K228-N230 PolarHBondContact O-N 3.05Å; N230-E232 VanDerWaalsContact C-N 3.28Å; N230-E232 PolarHBondContact O-N 3.08Å; N230-L233 PolarHBondContact O-N 3.16Å; N230-E234 WeakPolarHBondContact O-CG 3.29Å; N230-E234 PolarHBondContact O-N 3.03Å |
| 231 | S | 98.1 | Very high | 97.6 | Very high | 48 Ų | 48 | 93.4 Ų | 93.4 | 34% | 0.336 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -34.6 | 176.4 | 75.6 | 0 | 0 | 0 | 0 | 113.3 | L227 K228 E229 Q235 | L227-S231 PolarHBondContact O-N 2.85Å; K228-S231 PolarHBondContact O-N 3.14Å; K228-S231 VanDerWaalsContact O-N 3.12Å; K228-S231 PolarHBondContact O-OG 3.33Å; E229-S231 PolarHBondContact O-N 2.9Å; S231-Q235 VanDerWaalsContact O-CG 3.26Å; S231-Q235 WeakPolarHBondContact O-CG 3.38Å; S231-Q235 PolarHBondContact O-N 2.95Å; S231-Q235 VanDerWaalsContact O-N 3.1Å |
| 232 | E | 98.3 | Very high | 97.6 | Very high | 111 Ų | 111 | 90.3 Ų | 90.3 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.8 | -41.9 | 175.2 | -71.2 | 174.4 | -169.2 | 0 | 0 | 111.4 | K228 E229 N230 Q235 Q236 | K228-E232 WeakPolarHBondContact O-CG 3.49Å; K228-E232 PolarHBondContact O-N 3.29Å; E229-E232 PolarHBondContact O-N 3Å; N230-E232 VanDerWaalsContact C-N 3.28Å; N230-E232 PolarHBondContact O-N 3.08Å; E232-Q235 WeakPolarHBondContact O-CB 3.18Å; E232-Q235 PolarHBondContact O-N 2.65Å; E232-Q236 WeakPolarHBondContact O-CG 3.46Å; E232-Q236 PolarHBondContact O-N 3.36Å |
| 233 | L | 97.4 | Very high | 97.6 | Very high | 107 Ų | 107 | 93.1 Ų | 93.1 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.2 | -41.5 | 175.3 | -70.8 | 173.1 | 0 | 0 | 0 | 111.9 | E229 N230 Q235 Q236 L237 | E229-L233 VanDerWaalsContact O-CG 3.3Å; E229-L233 WeakPolarHBondContact O-CG 3.48Å; E229-L233 PolarHBondContact O-N 2.78Å; N230-L233 PolarHBondContact O-N 3.16Å; L233-Q235 VanDerWaalsContact C-N 3.32Å; L233-Q235 PolarHBondContact O-N 2.96Å; L233-Q236 PolarHBondContact O-N 3.42Å; L233-L237 WeakPolarHBondContact O-CB 3.35Å; L233-L237 PolarHBondContact O-N 3.32Å |
| 234 | E | 97.2 | Very high | 97.6 | Very high | 128 Ų | 128 | 94.3 Ų | 94.3 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.6 | -41.7 | 173.8 | -74.8 | -178.7 | 166.9 | 0 | 0 | 111.6 | N230 L237 G238 | N230-E234 WeakPolarHBondContact O-CG 3.29Å; N230-E234 PolarHBondContact O-N 3.03Å; E234-L237 PolarHBondContact O-N 2.82Å; E234-G238 PolarHBondContact O-N 3.27Å |
| 235 | Q | 97.6 | Very high | 97.6 | Very high | 138 Ų | 138 | 95.2 Ų | 95.2 | 65% | 0.645 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64 | -44.1 | 174.8 | -73.4 | 172.8 | 25.9 | 0 | 0 | 112 | S231 E232 L233 G238 A239 | S231-Q235 VanDerWaalsContact O-CG 3.26Å; S231-Q235 WeakPolarHBondContact O-CG 3.38Å; S231-Q235 PolarHBondContact O-N 2.95Å; S231-Q235 VanDerWaalsContact O-N 3.1Å; E232-Q235 WeakPolarHBondContact O-CB 3.18Å; E232-Q235 PolarHBondContact O-N 2.65Å; L233-Q235 VanDerWaalsContact C-N 3.32Å; L233-Q235 PolarHBondContact O-N 2.96Å; Q235-G238 PolarHBondContact O-N 3.32Å; Q235-A239 PolarHBondContact O-N 3.44Å |
| 236 | Q | 97.8 | Very high | 97.5 | Very high | 119 Ų | 119 | 98.2 Ų | 98.2 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.4 | -42.9 | 175.9 | -73.2 | 179.7 | 3.7 | 0 | 0 | 111.5 | E232 L233 G238 A239 T240 | E232-Q236 WeakPolarHBondContact O-CG 3.46Å; E232-Q236 PolarHBondContact O-N 3.36Å; L233-Q236 PolarHBondContact O-N 3.42Å; Q236-G238 VanDerWaalsContact C-N 3.33Å; Q236-G238 PolarHBondContact O-N 2.85Å; Q236-A239 PolarHBondContact O-N 2.9Å; Q236-T240 VanDerWaalsContact O-CG2 3.24Å; Q236-T240 WeakPolarHBondContact O-CG2 3.27Å; Q236-T240 PolarHBondContact O-N 2.96Å; Q236-T240 PolarHBondContact O-OG1 3.25Å |
| 237 | L | 97 | Very high | 97.5 | Very high | 126 Ų | 126 | 96.3 Ų | 96.3 | 66% | 0.66 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.8 | -46.1 | 175 | -170.5 | 79.5 | 0 | 0 | 0 | 110.5 | L233 E234 A239 T240 G241 | L233-L237 WeakPolarHBondContact O-CB 3.35Å; L233-L237 PolarHBondContact O-N 3.32Å; E234-L237 PolarHBondContact O-N 2.82Å; L237-A239 PolarHBondContact O-N 3.27Å; L237-T240 WeakPolarHBondContact CA-OG1 3.4Å; L237-T240 PolarHBondContact O-N 3.38Å; L237-T240 PolarHBondContact O-OG1 2.93Å; L237-G241 PolarHBondContact O-N 2.94Å |
| 238 | G | 97.2 | Very high | 97.4 | Very high | 47 Ų | 47 | 97.2 Ų | 97.2 | 49% | 0.485 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.8 | -46 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E234 Q235 Q236 G241 A242 | E234-G238 PolarHBondContact O-N 3.27Å; Q235-G238 PolarHBondContact O-N 3.32Å; Q236-G238 VanDerWaalsContact C-N 3.33Å; Q236-G238 PolarHBondContact O-N 2.85Å; G238-G241 PolarHBondContact O-N 3.44Å; G238-A242 PolarHBondContact O-N 3.3Å |
| 239 | A | 97.7 | Very high | 97.4 | Very high | 43 Ų | 43 | 97.6 Ų | 97.6 | 36% | 0.355 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q235 Q236 L237 G241 A242 Y243 | Q235-A239 PolarHBondContact O-N 3.44Å; Q236-A239 PolarHBondContact O-N 2.9Å; L237-A239 PolarHBondContact O-N 3.27Å; A239-G241 VanDerWaalsContact C-N 3.3Å; A239-G241 PolarHBondContact O-N 2.78Å; A239-A242 WeakPolarHBondContact O-CB 3.36Å; A239-A242 PolarHBondContact O-N 3Å; A239-Y243 HydrophobicContact CB-CE2 4.36Å; A239-Y243 WeakPolarHBondContact O-CD2 3.48Å; A239-Y243 PolarHBondContact O-N 3.26Å |
| 240 | T | 96.8 | Very high | 97.3 | Very high | 67 Ų | 67 | 95.8 Ų | 95.8 | 41% | 0.411 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -35.6 | 175.9 | 65.9 | 0 | 0 | 0 | 0 | 112.1 | Q236 L237 Y243 R244 | Q236-T240 VanDerWaalsContact O-CG2 3.24Å; Q236-T240 WeakPolarHBondContact O-CG2 3.27Å; Q236-T240 PolarHBondContact O-N 2.96Å; Q236-T240 PolarHBondContact O-OG1 3.25Å; L237-T240 WeakPolarHBondContact CA-OG1 3.4Å; L237-T240 PolarHBondContact O-N 3.38Å; L237-T240 PolarHBondContact O-OG1 2.93Å; T240-Y243 PolarHBondContact O-N 2.84Å; T240-R244 WeakPolarHBondContact O-CB 3.32Å; T240-R244 PolarHBondContact O-N 3.36Å |
| 241 | G | 97.7 | Very high | 97.4 | Very high | 30 Ų | 30 | 98 Ų | 98 | 31% | 0.309 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.1 | L237 G238 A239 R244 A245 | L237-G241 PolarHBondContact O-N 2.94Å; G238-G241 PolarHBondContact O-N 3.44Å; A239-G241 VanDerWaalsContact C-N 3.3Å; A239-G241 PolarHBondContact O-N 2.78Å; G241-R244 PolarHBondContact O-N 3.37Å; G241-A245 PolarHBondContact O-N 2.75Å |
| 242 | A | 97.4 | Very high | 97.3 | Very high | 61 Ų | 61 | 98 Ų | 98 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G238 A239 R244 A245 R246 | G238-A242 PolarHBondContact O-N 3.3Å; A239-A242 WeakPolarHBondContact O-CB 3.36Å; A239-A242 PolarHBondContact O-N 3Å; A242-R244 VanDerWaalsContact C-N 3.33Å; A242-R244 PolarHBondContact O-N 2.83Å; A242-A245 PolarHBondContact O-N 3.29Å; A242-R246 PolarHBondContact O-N 2.86Å |
| 243 | Y | 96.8 | Very high | 97.2 | Very high | 167 Ų | 167 | 98 Ų | 98 | 66% | 0.655 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.4 | -39.3 | 174.2 | -64.8 | -47.6 | 0 | 0 | 0 | 112.3 | A239 T240 R246 A247 | A239-Y243 HydrophobicContact CB-CE2 4.36Å; A239-Y243 WeakPolarHBondContact O-CD2 3.48Å; A239-Y243 PolarHBondContact O-N 3.26Å; T240-Y243 PolarHBondContact O-N 2.84Å; Y243-R246 PolarHBondContact O-N 3.29Å; Y243-A247 WeakPolarHBondContact O-CB 3.28Å; Y243-A247 PolarHBondContact O-N 2.8Å |
| 244 | R | 97.9 | Very high | 97.1 | Very high | 174 Ų | 174 | 95.8 Ų | 95.8 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -44.1 | 175.5 | -175.1 | -177.6 | -66.2 | 147.7 | 0.9 | 111.7 | T240 G241 A242 R246 A247 L248 | T240-R244 WeakPolarHBondContact O-CB 3.32Å; T240-R244 PolarHBondContact O-N 3.36Å; G241-R244 PolarHBondContact O-N 3.37Å; A242-R244 VanDerWaalsContact C-N 3.33Å; A242-R244 PolarHBondContact O-N 2.83Å; R244-R246 PolarHBondContact O-N 2.89Å; R244-A247 PolarHBondContact O-N 3.23Å; R244-L248 WeakPolarHBondContact O-CG 3.42Å; R244-L248 PolarHBondContact O-N 3.43Å |
| 245 | A | 96.9 | Very high | 97 | Very high | 45 Ų | 45 | 92.1 Ų | 92.1 | 37% | 0.372 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60 | -46.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G241 A242 A247 L248 E249 | G241-A245 PolarHBondContact O-N 2.75Å; A242-A245 PolarHBondContact O-N 3.29Å; A245-A247 VanDerWaalsContact C-N 3.31Å; A245-A247 PolarHBondContact O-N 3.33Å; A245-L248 PolarHBondContact O-N 2.84Å; A245-E249 WeakPolarHBondContact O-CG 3.21Å; A245-E249 PolarHBondContact O-N 3.48Å |
| 246 | R | 97.5 | Very high | 96.9 | Very high | 162 Ų | 162 | 91.3 Ų | 91.3 | 61% | 0.611 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.1 | -37.4 | 176 | -173.3 | 174.3 | -177.5 | -123.5 | -2.2 | 112.8 | A242 Y243 R244 E249 L250 | A242-R246 PolarHBondContact O-N 2.86Å; Y243-R246 PolarHBondContact O-N 3.29Å; R244-R246 PolarHBondContact O-N 2.89Å; R246-E249 PolarHBondContact O-N 3.49Å; R246-L250 HydrophobicContact CG-CD1 4.33Å; R246-L250 WeakPolarHBondContact O-CG 3.43Å; R246-L250 PolarHBondContact O-N 2.93Å |
| 247 | A | 96.8 | Very high | 96.6 | Very high | 43 Ų | 43 | 90.5 Ų | 90.5 | 36% | 0.355 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y243 R244 A245 E249 L250 E251 | Y243-A247 WeakPolarHBondContact O-CB 3.28Å; Y243-A247 PolarHBondContact O-N 2.8Å; R244-A247 PolarHBondContact O-N 3.23Å; A245-A247 VanDerWaalsContact C-N 3.31Å; A245-A247 PolarHBondContact O-N 3.33Å; A247-E249 PolarHBondContact O-N 3.23Å; A247-L250 PolarHBondContact O-N 2.88Å; A247-E251 WeakPolarHBondContact O-CG 3.24Å; A247-E251 PolarHBondContact O-N 3.39Å |
| 248 | L | 97.4 | Very high | 96.5 | Very high | 102 Ų | 102 | 92 Ų | 92 | 53% | 0.534 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | 176.1 | -68.3 | 172.1 | 0 | 0 | 0 | 112.5 | R244 A245 E251 A252 | R244-L248 WeakPolarHBondContact O-CG 3.42Å; R244-L248 PolarHBondContact O-N 3.43Å; A245-L248 PolarHBondContact O-N 2.84Å; L248-E251 PolarHBondContact O-N 3.11Å; L248-A252 PolarHBondContact O-N 2.89Å |
| 249 | E | 97.3 | Very high | 96.2 | Very high | 135 Ų | 135 | 96.2 Ų | 96.2 | 63% | 0.631 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.9 | -45.4 | 174.3 | -71.8 | 171.2 | -176.9 | 0 | 0 | 111.7 | A245 R246 A247 A252 E253 | A245-E249 WeakPolarHBondContact O-CG 3.21Å; A245-E249 PolarHBondContact O-N 3.48Å; R246-E249 PolarHBondContact O-N 3.49Å; A247-E249 PolarHBondContact O-N 3.23Å; E249-A252 WeakPolarHBondContact O-CB 3.44Å; E249-A252 PolarHBondContact O-N 3.45Å; E249-E253 PolarHBondContact O-N 3.44Å |
| 250 | L | 97.6 | Very high | 95.7 | Very high | 79 Ų | 79 | 99.1 Ų | 99.1 | 41% | 0.414 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 177 | -70.5 | 170.8 | 0 | 0 | 0 | 112.3 | R246 A247 A252 E253 V254 | R246-L250 HydrophobicContact CG-CD1 4.33Å; R246-L250 WeakPolarHBondContact O-CG 3.43Å; R246-L250 PolarHBondContact O-N 2.93Å; A247-L250 PolarHBondContact O-N 2.88Å; L250-A252 VanDerWaalsContact C-N 3.31Å; L250-E253 PolarHBondContact O-N 2.8Å; L250-V254 WeakPolarHBondContact O-CB 3.2Å; L250-V254 VanDerWaalsContact O-CG2 3.28Å; L250-V254 WeakPolarHBondContact O-CG2 3.39Å; L250-V254 PolarHBondContact O-N 3.34Å |
| 251 | E | 96.9 | Very high | 95.2 | Very high | 126 Ų | 126 | 100.7 Ų | 100.7 | 59% | 0.589 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.3 | -40.3 | 173.7 | -76.2 | 173.2 | -173.7 | 0 | 0 | 111.5 | A247 L248 V254 A255 | A247-E251 WeakPolarHBondContact O-CG 3.24Å; A247-E251 PolarHBondContact O-N 3.39Å; L248-E251 PolarHBondContact O-N 3.11Å; E251-V254 PolarHBondContact O-N 2.99Å; E251-A255 WeakPolarHBondContact O-CB 3.01Å; E251-A255 PolarHBondContact O-N 3.34Å |
| 252 | A | 96.3 | Very high | 94.5 | Very high | 49 Ų | 49 | 105.9 Ų | 105.9 | 41% | 0.405 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L248 E249 L250 V254 A255 E256 | L248-A252 PolarHBondContact O-N 2.89Å; E249-A252 WeakPolarHBondContact O-CB 3.44Å; E249-A252 PolarHBondContact O-N 3.45Å; L250-A252 VanDerWaalsContact C-N 3.31Å; A252-V254 VanDerWaalsContact C-N 3.34Å; A252-V254 PolarHBondContact O-N 2.87Å; A252-A255 WeakPolarHBondContact O-CB 3.27Å; A252-A255 PolarHBondContact O-N 3.3Å; A252-A255 VanDerWaalsContact O-N 3.11Å; A252-E256 WeakPolarHBondContact O-CG 3.27Å; A252-E256 PolarHBondContact O-N 3.1Å |
| 253 | E | 96.6 | Very high | 93.6 | Very high | 110 Ų | 110 | 106.9 Ų | 106.9 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 176.2 | -173.3 | 178.1 | -174.1 | 0 | 0 | 111.6 | E249 L250 A255 E256 M257 | E249-E253 PolarHBondContact O-N 3.44Å; L250-E253 PolarHBondContact O-N 2.8Å; E253-A255 VanDerWaalsContact C-N 3.32Å; E253-A255 PolarHBondContact O-N 3.03Å; E253-E256 PolarHBondContact O-N 3.26Å; E253-M257 WeakPolarHBondContact O-CG 3.46Å; E253-M257 PolarHBondContact O-N 3.29Å |
| 254 | V | 95.6 | Very high | 92.5 | Very high | 60 Ų | 60 | 105.8 Ų | 105.8 | 36% | 0.364 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 174.9 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | L250 E251 A252 M257 R258 | L250-V254 WeakPolarHBondContact O-CB 3.2Å; L250-V254 VanDerWaalsContact O-CG2 3.28Å; L250-V254 WeakPolarHBondContact O-CG2 3.39Å; L250-V254 PolarHBondContact O-N 3.34Å; E251-V254 PolarHBondContact O-N 2.99Å; A252-V254 VanDerWaalsContact C-N 3.34Å; A252-V254 PolarHBondContact O-N 2.87Å; V254-M257 PolarHBondContact O-N 3.23Å; V254-R258 VanDerWaalsContact O-CG 3.29Å; V254-R258 WeakPolarHBondContact O-CG 3.4Å; V254-R258 PolarHBondContact O-N 3.13Å |
| 255 | A | 94.6 | Very high | 90.6 | Very high | 52 Ų | 52 | 103 Ų | 103 | 43% | 0.43 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | E251 A252 E253 R258 Q259 | E251-A255 WeakPolarHBondContact O-CB 3.01Å; E251-A255 PolarHBondContact O-N 3.34Å; A252-A255 WeakPolarHBondContact O-CB 3.27Å; A252-A255 PolarHBondContact O-N 3.3Å; A252-A255 VanDerWaalsContact O-N 3.11Å; E253-A255 VanDerWaalsContact C-N 3.32Å; E253-A255 PolarHBondContact O-N 3.03Å; A255-R258 PolarHBondContact O-N 2.96Å; A255-Q259 PolarHBondContact O-N 3.45Å |
| 256 | E | 95 | Very high | 88.7 | Confident | 120 Ų | 120 | 105.6 Ų | 105.6 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62 | -45.4 | 173.8 | -70.8 | -178.7 | 179.7 | 0 | 0 | 111.6 | A252 E253 R258 Q259 M260 | A252-E256 WeakPolarHBondContact O-CG 3.27Å; A252-E256 PolarHBondContact O-N 3.1Å; E253-E256 PolarHBondContact O-N 3.26Å; E256-R258 VanDerWaalsContact C-N 3.32Å; E256-R258 PolarHBondContact O-N 2.99Å; E256-Q259 WeakPolarHBondContact O-CB 3.25Å; E256-Q259 PolarHBondContact O-N 2.92Å; E256-Q259 VanDerWaalsContact O-N 3.16Å; E256-M260 WeakPolarHBondContact O-CG 3.04Å; E256-M260 PolarHBondContact O-N 2.95Å |
| 257 | M | 93 | Very high | 86.5 | Confident | 103 Ų | 103 | 106.5 Ų | 106.5 | 51% | 0.507 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 175.7 | -70.9 | -175.8 | 74.8 | 0 | 0 | 112.3 | E253 V254 M260 L261 | E253-M257 WeakPolarHBondContact O-CG 3.46Å; E253-M257 PolarHBondContact O-N 3.29Å; V254-M257 PolarHBondContact O-N 3.23Å; M257-M260 HydrophobicContact CG-CE 4.16Å; M257-M260 PolarHBondContact O-N 3.49Å; M257-L261 WeakPolarHBondContact O-CG 3.25Å; M257-L261 PolarHBondContact O-N 3.26Å |
| 258 | R | 92.8 | Very high | 84.1 | Confident | 158 Ų | 158 | 110.9 Ų | 110.9 | 60% | 0.596 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.2 | -42.3 | 175 | -74.4 | 170.7 | 179.6 | 159.3 | 1.6 | 111.6 | V254 A255 E256 L261 Q262 | V254-R258 VanDerWaalsContact O-CG 3.29Å; V254-R258 WeakPolarHBondContact O-CG 3.4Å; V254-R258 PolarHBondContact O-N 3.13Å; A255-R258 PolarHBondContact O-N 2.96Å; E256-R258 VanDerWaalsContact C-N 3.32Å; E256-R258 PolarHBondContact O-N 2.99Å; R258-L261 PolarHBondContact O-N 2.99Å; R258-Q262 VanDerWaalsContact O-CG 3.29Å; R258-Q262 WeakPolarHBondContact O-CG 3.38Å; R258-Q262 PolarHBondContact O-N 2.79Å |
| 259 | Q | 91.4 | Very high | 81.9 | Confident | 134 Ų | 134 | 113.9 Ų | 113.9 | 63% | 0.626 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.3 | -42.1 | 177 | -172.8 | 178.6 | 17.2 | 0 | 0 | 111.6 | A255 E256 Q262 S263 | A255-Q259 PolarHBondContact O-N 3.45Å; E256-Q259 WeakPolarHBondContact O-CB 3.25Å; E256-Q259 PolarHBondContact O-N 2.92Å; E256-Q259 VanDerWaalsContact O-N 3.16Å; Q259-Q262 PolarHBondContact O-N 3.47Å; Q259-S263 WeakPolarHBondContact O-CB 3.36Å; Q259-S263 PolarHBondContact O-N 3.31Å; Q259-S263 PolarHBondContact O-OG 2.9Å |
| 260 | M | 88.1 | Confident | 79.8 | Confident | 104 Ų | 104 | 110.5 Ų | 110.5 | 51% | 0.512 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.8 | -47.6 | 175.9 | -72.1 | -170.1 | -67.5 | 0 | 0 | 111.3 | E256 M257 Q262 S263 E264 | E256-M260 WeakPolarHBondContact O-CG 3.04Å; E256-M260 PolarHBondContact O-N 2.95Å; M257-M260 HydrophobicContact CG-CE 4.16Å; M257-M260 PolarHBondContact O-N 3.49Å; M260-Q262 VanDerWaalsContact C-N 3.32Å; M260-Q262 PolarHBondContact O-N 2.79Å; M260-S263 WeakPolarHBondContact CA-OG 3.47Å; M260-S263 PolarHBondContact O-N 2.69Å; M260-S263 PolarHBondContact O-OG 3.43Å; M260-E264 PolarHBondContact O-N 2.85Å |
| 261 | L | 85.1 | Confident | 77.4 | Confident | 101 Ų | 101 | 112.9 Ų | 112.9 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59.2 | -40.3 | 176.8 | -72.9 | 171.3 | 0 | 0 | 0 | 112.8 | M257 R258 S263 H265 | M257-L261 WeakPolarHBondContact O-CG 3.25Å; M257-L261 PolarHBondContact O-N 3.26Å; R258-L261 PolarHBondContact O-N 2.99Å; L261-S263 VanDerWaalsContact C-N 3.34Å; L261-H265 PolarHBondContact O-N 2.87Å; L261-H265 VanDerWaalsContact O-N 3.08Å; L261-H265 PolarHBondContact O-ND1 2.73Å; L261-H265 VanDerWaalsContact O-ND1 3.16Å |
| 262 | Q | 83.9 | Confident | 75.1 | Confident | 138 Ų | 138 | 115.4 Ų | 115.4 | 65% | 0.645 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.5 | -34 | 174.6 | -71.6 | 172.2 | 7.2 | 0 | 0 | 112.6 | R258 Q259 M260 H265 | R258-Q262 VanDerWaalsContact O-CG 3.29Å; R258-Q262 WeakPolarHBondContact O-CG 3.38Å; R258-Q262 PolarHBondContact O-N 2.79Å; Q259-Q262 PolarHBondContact O-N 3.47Å; M260-Q262 VanDerWaalsContact C-N 3.32Å; M260-Q262 PolarHBondContact O-N 2.79Å; Q262-H265 CarbonylContact O-C 3.58Å; Q262-H265 VanDerWaalsContact O-C 3.22Å |
| 263 | S | 78.4 | Confident | 73 | Confident | 83 Ų | 83 | 122.5 Ų | 122.5 | 58% | 0.58 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -78.6 | -29.5 | 178.8 | 73.7 | 0 | 0 | 0 | 0 | 113.9 | Q259 M260 L261 P266 | Q259-S263 WeakPolarHBondContact O-CB 3.36Å; Q259-S263 PolarHBondContact O-N 3.31Å; Q259-S263 PolarHBondContact O-OG 2.9Å; M260-S263 WeakPolarHBondContact CA-OG 3.47Å; M260-S263 PolarHBondContact O-N 2.69Å; M260-S263 PolarHBondContact O-OG 3.43Å; L261-S263 VanDerWaalsContact C-N 3.34Å; S263-P266 WeakPolarHBondContact O-CD 3.38Å |
| 264 | E | 73.3 | Confident | 70.8 | Confident | 143 Ų | 143 | 125 Ų | 125 | 67% | 0.668 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -77.8 | -27.4 | 173.4 | -72.3 | -175.2 | 160.5 | 0 | 0 | 112 | M260 P266 | M260-E264 PolarHBondContact O-N 2.85Å; E264-P266 VanDerWaalsContact O-CD 3.29Å; E264-P266 WeakPolarHBondContact O-CD 3.19Å |
| 265 | H | 58.4 | Low | 68.3 | Low | 116 Ų | 116 | 128.3 Ų | 128.3 | 54% | 0.537 | 67% | 0.672 | S | S | . | * | S | Bend | trans | -117 | 67 | 173.4 | -56.2 | 75.6 | 0 | 0 | 0 | 110.5 | L261 Q262 F267 | L261-H265 PolarHBondContact O-N 2.87Å; L261-H265 VanDerWaalsContact O-N 3.08Å; L261-H265 PolarHBondContact O-ND1 2.73Å; L261-H265 VanDerWaalsContact O-ND1 3.16Å; Q262-H265 CarbonylContact O-C 3.58Å; Q262-H265 VanDerWaalsContact O-C 3.22Å; H265-F267 PolarHBondContact O-N 3.46Å |
| 266 | P | 57.9 | Low | 66 | Low | 100 Ų | 100 | 131.1 Ų | 131.1 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | trans | -67.1 | 95.2 | 169.6 | 27.6 | -27.2 | 0 | 0 | 0 | 106.4 | S263 E264 V268 | S263-P266 WeakPolarHBondContact O-CD 3.38Å; E264-P266 VanDerWaalsContact O-CD 3.29Å; E264-P266 WeakPolarHBondContact O-CD 3.19Å; P266-V268 PolarHBondContact O-N 3.45Å; P266-V268 VanDerWaalsContact O-N 3.13Å | ||
| 267 | F | 50.4 | Low | 63.5 | Low | 180 Ų | 180 | 132.9 Ų | 132.9 | 79% | 0.789 | 70% | 0.699 | S | S | * | * | trans | -49.1 | 126.1 | 171.5 | -79.3 | -86.2 | 0 | 0 | 0 | 107.6 | H265 N269 | H265-F267 PolarHBondContact O-N 3.46Å; F267-N269 PolarHBondContact O-N 3.2Å | ||
| 268 | V | 47.5 | Very low | 61.6 | Low | 135 Ų | 135 | 132.7 Ų | 132.7 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | -53.7 | 115.2 | 174.2 | -179.1 | 0 | 0 | 0 | 0 | 106.7 | P266 G270 | P266-V268 PolarHBondContact O-N 3.45Å; P266-V268 VanDerWaalsContact O-N 3.13Å; V268-G270 PolarHBondContact O-N 2.82Å | ||
| 269 | N | 51 | Low | 59.5 | Low | 165 Ų | 165 | 132.9 Ų | 132.9 | 88% | 0.882 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 57.9 | -165.6 | -135.9 | -1.9 | 0 | 0 | 0 | 112.6 | F267 | F267-N269 PolarHBondContact O-N 3.2Š|
| 270 | G | 52.1 | Low | 57.2 | Low | 65 Ų | 65 | 135.4 Ų | 135.4 | 67% | 0.67 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.2 | 0.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 117 | V268 | V268-G270 PolarHBondContact O-N 2.82Š|
| 271 | V | 47.1 | Very low | 54.9 | Low | 129 Ų | 129 | 136.4 Ų | 136.4 | 78% | 0.782 | 74% | 0.741 | S | S | * | * | trans | -131.6 | 34.5 | -179.5 | -159.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 272 | E | 49.5 | Very low | 52.7 | Low | 179 Ų | 179 | 137 Ų | 137 | 84% | 0.836 | 75% | 0.75 | S | S | * | * | trans | -104.4 | 53.1 | 168 | -82.3 | -172.9 | 160.2 | 0 | 0 | 111.4 | ||||
| 273 | K | 51.1 | Low | 50.4 | Low | 198 Ų | 198 | 139.2 Ų | 139.2 | 86% | 0.861 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -136.4 | 9.4 | 168.6 | -91.9 | -164.2 | 178.9 | -179 | 0 | 116.1 | ||
| 274 | L | 49.9 | Very low | 48.4 | Very low | 162 Ų | 162 | 144.1 Ų | 144.1 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -138.8 | 32.8 | -176.1 | -70.9 | 174.5 | 0 | 0 | 0 | 115.5 | ||
| 275 | V | 43 | Very low | 46.6 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 78% | 0.782 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -142.8 | 130.7 | 160.2 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | D277 | V275-D277 PolarHBondContact O-N 2.87Š|
| 276 | P | 46.9 | Very low | 45.5 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -62.2 | 126.7 | -178.5 | -24.6 | 34.5 | 0 | 0 | 0 | 114.8 | S278 | P276-S278 VanDerWaalsContact C-N 3.32Å; P276-S278 PolarHBondContact O-N 2.83Å | ||
| 277 | D | 42.3 | Very low | 44.3 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | trans | -61.7 | 74.7 | 168.9 | -85 | -34.8 | 0 | 0 | 0 | 113.1 | V275 | V275-D277 PolarHBondContact O-N 2.87Š| ||
| 278 | S | 52.8 | Low | 44 | Very low | 98 Ų | 98 | 146 Ų | 146 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -115.7 | -0.6 | 176.9 | -49.7 | 0 | 0 | 0 | 0 | 115.1 | P276 | P276-S278 VanDerWaalsContact C-N 3.32Å; P276-S278 PolarHBondContact O-N 2.83Å | ||
| 279 | L | 49.7 | Very low | 43.5 | Very low | 163 Ų | 163 | 144 Ų | 144 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -132.4 | 4.1 | -175.6 | -67.3 | 176.9 | 0 | 0 | 0 | 116.1 | ||
| 280 | F | 43.4 | Very low | 42.9 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | -105.5 | 103.8 | 168.5 | -76.8 | -80.7 | 0 | 0 | 0 | 109.5 | P282 | F280-P282 WeakPolarHBondContact O-CD 3.41Š| ||
| 281 | V | 40 | Very low | 42.4 | Very low | 126 Ų | 126 | 149 Ų | 149 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | -65.7 | 115.5 | 165.9 | -179.4 | 0 | 0 | 0 | 0 | 107 | F283 | V281-F283 PolarHBondContact O-N 3.36Š| ||
| 282 | P | 37.6 | Very low | 41.9 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -66 | 109.6 | 166 | -12.4 | 29.2 | 0 | 0 | 0 | 106.3 | F280 K284 | F280-P282 WeakPolarHBondContact O-CD 3.41Å; P282-K284 PolarHBondContact O-N 3.46Å | ||
| 283 | F | 35.9 | Very low | 41.3 | Very low | 185 Ų | 185 | 151.7 Ų | 151.7 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -69.5 | 87.2 | 170.4 | -161.2 | -93.7 | 0 | 0 | 0 | 107.1 | V281 E285 | V281-F283 PolarHBondContact O-N 3.36Å; F283-E285 PolarHBondContact O-N 2.79Å | ||
| 284 | K | 36.2 | Very low | 40.6 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -77.3 | 109 | 171.9 | -168.8 | 169.3 | -176.4 | 178.7 | 0 | 107 | P282 | P282-K284 PolarHBondContact O-N 3.46Š| ||
| 285 | E | 35 | Very low | 39.7 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 73% | 0.729 | 79% | 0.793 | S | S | * | * | trans | -47.1 | 130.7 | 166.5 | -81.9 | 163.4 | 129.6 | 0 | 0 | 110.3 | F283 S287 | F283-E285 PolarHBondContact O-N 2.79Å; E285-S287 VanDerWaalsContact C-N 3.34Å; E285-S287 PolarHBondContact O-N 3.25Å | ||
| 286 | P | 36.3 | Very low | 39.2 | Very low | 123 Ų | 123 | 152.3 Ų | 152.3 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | trans | -75.5 | 93.9 | 171.4 | 29.4 | -29 | 0 | 0 | 0 | 108.3 | Q288 | P286-Q288 PolarHBondContact O-N 3.19Š| ||
| 287 | S | 33.1 | Very low | 38.3 | Very low | 95 Ų | 95 | 152.9 Ų | 152.9 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | trans | -59.7 | 132.1 | 163.3 | 51.7 | 0 | 0 | 0 | 0 | 110 | E285 S289 | E285-S287 VanDerWaalsContact C-N 3.34Å; E285-S287 PolarHBondContact O-N 3.25Å; S287-S289 PolarHBondContact O-N 2.83Å | ||
| 288 | Q | 42.8 | Very low | 37.8 | Very low | 204 Ų | 204 | 151.5 Ų | 151.5 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -54.1 | 94.2 | 171.4 | -62.6 | 162.2 | -2.6 | 0 | 0 | 111.3 | P286 | P286-Q288 PolarHBondContact O-N 3.19Š|
| 289 | S | 37.8 | Very low | 37.1 | Very low | 93 Ų | 93 | 152.4 Ų | 152.4 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | trans | -165.4 | 40 | 169.3 | 70.8 | 0 | 0 | 0 | 0 | 115 | S287 | S287-S289 PolarHBondContact O-N 2.83Š| ||
| 290 | L | 38.1 | Very low | 36.3 | Very low | 163 Ų | 163 | 152.1 Ų | 152.1 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -119 | 54.2 | 172.6 | -87.3 | 174.6 | 0 | 0 | 0 | 111.6 | ||||
| 291 | L | 41.3 | Very low | 36 | Very low | 173 Ų | 173 | 148 Ų | 148 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -116.4 | 12.5 | 167.3 | -158.4 | 123.9 | 0 | 0 | 0 | 112.6 | ||
| 292 | E | 37.9 | Very low | 35.5 | Very low | 187 Ų | 187 | 149.4 Ų | 149.4 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -143.6 | 47.8 | -170 | -155.3 | 154.5 | -161.3 | 0 | 0 | 113.5 | ||
| 293 | E | 36.6 | Very low | 35.3 | Very low | 177 Ų | 177 | 156.2 Ų | 156.2 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -143.2 | 45.3 | 165.3 | -137.1 | 174.4 | -166.5 | 0 | 0 | 111 | ||||
| 294 | M | 36 | Very low | 35.2 | Very low | 157 Ų | 157 | 156.3 Ų | 156.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -89.1 | 140.2 | 151.9 | -111.2 | 168 | 53.9 | 0 | 0 | 106.6 | ||||
| 295 | F | 31 | Very low | 35.4 | Very low | 184 Ų | 184 | 153.5 Ų | 153.5 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | 90.4 | 91.5 | -174.3 | -52.5 | -71.9 | 0 | 0 | 0 | 114.7 | ||||
| 296 | L | 32.2 | Very low | 35.4 | Very low | 160 Ų | 160 | 154 Ų | 154 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | 174.3 | 112.7 | 109.8 | -83.8 | 163.4 | 0 | 0 | 0 | 111.9 | |||||
| 297 | T | 28.6 | Very low | 35.3 | Very low | 123 Ų | 123 | 158 Ų | 158 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | 48.1 | 109.3 | 134.6 | -9.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 298 | V | 31.3 | Very low | 35.5 | Very low | 130 Ų | 130 | 165 Ų | 165 | 79% | 0.788 | 82% | 0.818 | S | S | * | * | trans | -4.2 | 156 | 134.9 | 177.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 299 | P | 38.2 | Very low | 34.9 | Very low | 117 Ų | 117 | 161.2 Ų | 161.2 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | cis | -133.6 | 173.2 | 7.4 | 20.6 | 5.7 | 0 | 0 | 0 | 118.2 | ||||
| 300 | E | 32.4 | Very low | 35.1 | Very low | 157 Ų | 157 | 161.8 Ų | 161.8 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | -43 | 158.8 | 164.8 | -133.3 | -141.9 | 144.2 | 0 | 0 | 115.7 | H302 | E300-H302 PolarHBondContact OE1-N 3.41Å; E300-H302 VanDerWaalsContact OE1-N 3.11Å | ||
| 301 | P | 37.3 | Very low | 35.3 | Very low | 98 Ų | 98 | 159.4 Ų | 159.4 | 64% | 0.636 | 81% | 0.814 | S | S | * | * | -157 | 157.3 | 82.1 | 40.4 | -19.5 | 0 | 0 | 0 | 119.6 | |||||
| 302 | H | 29.7 | Very low | 35.1 | Very low | 157 Ų | 157 | 159.9 Ų | 159.9 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | 67.7 | 110 | 144 | -60.8 | -37 | 0 | 0 | 0 | 121 | E300 | E300-H302 PolarHBondContact OE1-N 3.41Å; E300-H302 VanDerWaalsContact OE1-N 3.11Å | ||
| 303 | R | 33.5 | Very low | 35.7 | Very low | 254 Ų | 254 | 157.4 Ų | 157.4 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | trans | -139.4 | 137.6 | 140.2 | -73.7 | -162.3 | 176.9 | 175.6 | 1.3 | 113.4 | ||||
| 304 | K | 34.6 | Very low | 36.3 | Very low | 187 Ų | 187 | 156.2 Ų | 156.2 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 154.4 | -172.2 | -62.2 | 164.8 | -179.5 | 174 | 0 | 112 | ||
| 305 | P | 39.7 | Very low | 36.7 | Very low | 129 Ų | 129 | 156.4 Ų | 156.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 121.1 | 174.7 | 31.2 | -29.9 | 0 | 0 | 0 | 110.7 | ||
| 306 | L | 34.3 | Very low | 37.2 | Very low | 167 Ų | 167 | 153.4 Ų | 153.4 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 131.6 | 170.2 | -93.1 | 84.7 | 0 | 0 | 0 | 110.5 | ||
| 307 | K | 34.5 | Very low | 37.7 | Very low | 205 Ų | 205 | 151 Ų | 151 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -61 | 135.7 | -177.5 | -74.9 | 178.7 | 169.7 | -177.7 | 0 | 112.5 | ||
| 308 | R | 37.3 | Very low | 38.7 | Very low | 244 Ų | 244 | 152.5 Ų | 152.5 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70 | 127.9 | 162.1 | -64.3 | 177.7 | 71 | 143.7 | 0.7 | 109.2 | ||
| 309 | S | 30 | Very low | 39.7 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 136 | 164.8 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | ||
| 310 | S | 42.4 | Very low | 40.4 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -118.2 | 121.1 | -175.9 | 44.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 311 | S | 41.9 | Very low | 41.4 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -175.4 | 133.8 | 159.4 | -55.7 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 312 | E | 38.1 | Very low | 42.4 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | cis | -146.1 | 120.6 | 32.9 | -73.3 | 170.3 | 131.4 | 0 | 0 | 109.6 | ||||
| 313 | T | 50.9 | Low | 44 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -78.4 | 117.2 | 151.1 | -56.1 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 314 | I | 49.4 | Very low | 45.4 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 172 | 134.1 | 149.6 | -83.9 | 145.3 | 0 | 0 | 0 | 106.2 | ||||
| 315 | L | 43.9 | Very low | 47.1 | Very low | 160 Ų | 160 | 132 Ų | 132 | 84% | 0.838 | 75% | 0.749 | S | S | * | * | trans | 95.3 | 54.9 | -177 | -46.4 | -171.7 | 0 | 0 | 0 | 117.2 | ||||
| 316 | S | 40.9 | Very low | 48.7 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 85% | 0.846 | 72% | 0.723 | S | S | * | * | trans | -128.2 | 82.7 | 155.2 | -65.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 317 | S | 42.3 | Very low | 50.8 | Low | 111 Ų | 111 | 125.3 Ų | 125.3 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | trans | -108.1 | 109.6 | 179.7 | -166.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 318 | L | 50.4 | Low | 52.9 | Low | 154 Ų | 154 | 121 Ų | 121 | 81% | 0.806 | 69% | 0.692 | S | S | * | * | S | Bend | 103.9 | 16.1 | 124 | -144.6 | 61.5 | 0 | 0 | 0 | 122.4 | |||
| 319 | A | 51.9 | Low | 54.9 | Low | 91 Ų | 91 | 113.8 Ų | 113.8 | 75% | 0.752 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -152.1 | -29.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 320 | G | 53.3 | Low | 57.3 | Low | 47 Ų | 47 | 111.3 Ų | 111.3 | 49% | 0.485 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -98.5 | -14 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | V324 | G320-V324 WeakPolarHBondContact O-CG2 3.32Å; G320-V324 PolarHBondContact O-N 2.83Å |
| 321 | S | 53.3 | Low | 59.1 | Low | 53 Ų | 53 | 109.1 Ų | 109.1 | 37% | 0.371 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -69 | -37.5 | -173 | 55.9 | 0 | 0 | 0 | 0 | 113 | I323 K325 | S321-I323 PolarHBondContact O-N 2.96Å; S321-K325 WeakPolarHBondContact O-CB 3.45Å; S321-K325 PolarHBondContact O-N 3.48Å |
| 322 | D | 59.2 | Low | 61 | Low | 127 Ų | 127 | 107.2 Ų | 107.2 | 68% | 0.679 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -75.8 | -29.4 | -170.7 | -68.9 | -8.1 | 0 | 0 | 0 | 112.5 | G326 | D322-G326 WeakPolarHBondContact O-CA 3.29Å; D322-G326 PolarHBondContact O-N 3.15Å |
| 323 | I | 61.6 | Low | 63.1 | Low | 133 Ų | 133 | 105.9 Ų | 105.9 | 68% | 0.682 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -76.2 | -43.6 | 176.1 | -57.8 | 175.1 | 0 | 0 | 0 | 110.1 | S321 H327 | S321-I323 PolarHBondContact O-N 2.96Å; I323-H327 VanDerWaalsContact O-CB 3.29Å; I323-H327 WeakPolarHBondContact O-CB 3.49Å; I323-H327 PolarHBondContact O-N 3.41Å |
| 324 | V | 63.6 | Low | 64.4 | Low | 100 Ų | 100 | 108.7 Ų | 108.7 | 61% | 0.606 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68 | -44.8 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | G320 H327 E328 | G320-V324 WeakPolarHBondContact O-CG2 3.32Å; G320-V324 PolarHBondContact O-N 2.83Å; V324-H327 PolarHBondContact O-N 3.4Å; V324-E328 WeakPolarHBondContact O-CB 3.49Å; V324-E328 PolarHBondContact O-N 2.84Å |
| 325 | K | 69.4 | Low | 65.6 | Low | 119 Ų | 119 | 103.7 Ų | 103.7 | 52% | 0.517 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.6 | -38.9 | 177 | -165.8 | 176.2 | -178.8 | -177.5 | 0 | 111.9 | S321 E328 E329 | S321-K325 WeakPolarHBondContact O-CB 3.45Å; S321-K325 PolarHBondContact O-N 3.48Å; K325-E328 PolarHBondContact O-N 3.45Å; K325-E329 VanDerWaalsContact O-CB 3.31Å; K325-E329 WeakPolarHBondContact O-CB 3.28Å; K325-E329 WeakPolarHBondContact O-CG 3.16Å; K325-E329 PolarHBondContact O-N 3.16Å |
| 326 | G | 73.9 | Confident | 67.2 | Low | 27 Ų | 27 | 102.5 Ų | 102.5 | 28% | 0.278 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.7 | -39.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D322 T330 | D322-G326 WeakPolarHBondContact O-CA 3.29Å; D322-G326 PolarHBondContact O-N 3.15Å; G326-T330 VanDerWaalsContact O-CB 3.23Å; G326-T330 WeakPolarHBondContact O-CB 3.28Å; G326-T330 PolarHBondContact O-N 2.93Å; G326-T330 PolarHBondContact O-OG1 2.79Å |
| 327 | H | 78.3 | Confident | 68.6 | Low | 128 Ų | 128 | 99.5 Ų | 99.5 | 59% | 0.593 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.3 | -43 | 174.8 | -176.4 | 70.5 | 0 | 0 | 0 | 112 | I323 V324 T330 C331 | I323-H327 VanDerWaalsContact O-CB 3.29Å; I323-H327 WeakPolarHBondContact O-CB 3.49Å; I323-H327 PolarHBondContact O-N 3.41Å; V324-H327 PolarHBondContact O-N 3.4Å; H327-T330 PolarHBondContact O-N 2.9Å; H327-C331 PolarHBondContact NE2-SG 2.89Å; H327-C331 WeakPolarHBondContact O-CB 3.25Å; H327-C331 PolarHBondContact O-N 3.49Å; H327-C331 PolarHBondContact O-SG 3.02Å |
| 328 | E | 79.1 | Confident | 69.8 | Low | 115 Ų | 115 | 98.6 Ų | 98.6 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 176.2 | -174.2 | 178.4 | -175.2 | 0 | 0 | 111.3 | V324 K325 T330 C331 I332 | V324-E328 WeakPolarHBondContact O-CB 3.49Å; V324-E328 PolarHBondContact O-N 2.84Å; K325-E328 PolarHBondContact O-N 3.45Å; E328-T330 VanDerWaalsContact C-N 3.26Å; E328-T330 PolarHBondContact O-N 2.95Å; E328-C331 PolarHBondContact O-N 3.41Å; E328-I332 HydrophobicContact CG-CD1 3.92Å; E328-I332 WeakPolarHBondContact O-CB 3.32Å; E328-I332 WeakPolarHBondContact O-CG1 3.39Å; E328-I332 PolarHBondContact O-N 3.4Å |
| 329 | E | 79.6 | Confident | 70.7 | Confident | 91 Ų | 91 | 98.7 Ų | 98.7 | 43% | 0.425 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.8 | -33.4 | 175.6 | -72.8 | 173.6 | -170.7 | 0 | 0 | 112.4 | K325 R333 | K325-E329 VanDerWaalsContact O-CB 3.31Å; K325-E329 WeakPolarHBondContact O-CB 3.28Å; K325-E329 WeakPolarHBondContact O-CG 3.16Å; K325-E329 PolarHBondContact O-N 3.16Å; E329-R333 VanDerWaalsContact O-CB 3.31Å; E329-R333 WeakPolarHBondContact O-CB 3.28Å; E329-R333 VanDerWaalsContact O-CG 3.25Å; E329-R333 WeakPolarHBondContact O-CG 3.3Å; E329-R333 PolarHBondContact O-N 3.48Å; E329-R333 PolarHBondContact O-NE 2.72Å |
| 330 | T | 79.4 | Confident | 71.3 | Confident | 72 Ų | 72 | 101.2 Ų | 101.2 | 44% | 0.442 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74 | -38.4 | 175.9 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | G326 H327 E328 R333 R334 | G326-T330 VanDerWaalsContact O-CB 3.23Å; G326-T330 WeakPolarHBondContact O-CB 3.28Å; G326-T330 PolarHBondContact O-N 2.93Å; G326-T330 PolarHBondContact O-OG1 2.79Å; H327-T330 PolarHBondContact O-N 2.9Å; E328-T330 VanDerWaalsContact C-N 3.26Å; E328-T330 PolarHBondContact O-N 2.95Å; T330-R333 PolarHBondContact O-N 3.48Å; T330-R334 VanDerWaalsContact O-CB 3.27Å; T330-R334 WeakPolarHBondContact O-CB 3.34Å; T330-R334 PolarHBondContact O-N 2.91Å |
| 331 | C | 80.4 | Confident | 72 | Confident | 58 Ų | 58 | 110.1 Ų | 110.1 | 39% | 0.392 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 173.3 | -72.3 | 0 | 0 | 0 | 0 | 111.5 | H327 E328 R334 A335 | H327-C331 PolarHBondContact NE2-SG 2.89Å; H327-C331 WeakPolarHBondContact O-CB 3.25Å; H327-C331 PolarHBondContact O-N 3.49Å; H327-C331 PolarHBondContact O-SG 3.02Å; E328-C331 PolarHBondContact O-N 3.41Å; C331-R334 PolarHBondContact O-N 3.42Å; C331-A335 VanDerWaalsContact O-CB 3.28Å; C331-A335 WeakPolarHBondContact O-CB 3.21Å; C331-A335 PolarHBondContact O-N 2.93Å |
| 332 | I | 82.9 | Confident | 72.5 | Confident | 74 Ų | 74 | 110.5 Ų | 110.5 | 38% | 0.379 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.7 | -44.4 | 175.1 | -68 | 164.5 | 0 | 0 | 0 | 110.5 | E328 A335 K336 | E328-I332 HydrophobicContact CG-CD1 3.92Å; E328-I332 WeakPolarHBondContact O-CB 3.32Å; E328-I332 WeakPolarHBondContact O-CG1 3.39Å; E328-I332 PolarHBondContact O-N 3.4Å; I332-A335 PolarHBondContact O-N 3.42Å; I332-K336 HydrophobicContact CG2-CD 4.01Å; I332-K336 HydrophobicContact CG2-CG 4.5Å; I332-K336 WeakPolarHBondContact O-CB 3.25Å; I332-K336 VanDerWaalsContact O-CG 3.3Å; I332-K336 WeakPolarHBondContact O-CG 3.22Å; I332-K336 PolarHBondContact O-N 3.48Å |
| 333 | R | 81 | Confident | 72.8 | Confident | 156 Ų | 156 | 107.9 Ų | 107.9 | 59% | 0.589 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.7 | -40.6 | 176.4 | -79.1 | -176.2 | -77 | 160 | -8.8 | 112 | E329 T330 K336 A337 | E329-R333 VanDerWaalsContact O-CB 3.31Å; E329-R333 WeakPolarHBondContact O-CB 3.28Å; E329-R333 VanDerWaalsContact O-CG 3.25Å; E329-R333 WeakPolarHBondContact O-CG 3.3Å; E329-R333 PolarHBondContact O-N 3.48Å; E329-R333 PolarHBondContact O-NE 2.72Å; T330-R333 PolarHBondContact O-N 3.48Å; R333-K336 PolarHBondContact O-N 2.96Å; R333-A337 VanDerWaalsContact O-CB 3.25Å; R333-A337 WeakPolarHBondContact O-CB 3.23Å; R333-A337 PolarHBondContact O-N 2.93Å |
| 334 | R | 77.9 | Confident | 73.4 | Confident | 192 Ų | 192 | 104.9 Ų | 104.9 | 73% | 0.725 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.8 | -45.6 | 175.5 | -171.2 | 177.7 | -177.2 | 175.4 | 0.3 | 111.3 | T330 C331 A337 V338 | T330-R334 VanDerWaalsContact O-CB 3.27Å; T330-R334 WeakPolarHBondContact O-CB 3.34Å; T330-R334 PolarHBondContact O-N 2.91Å; C331-R334 PolarHBondContact O-N 3.42Å; R334-A337 PolarHBondContact O-N 3.15Å; R334-V338 WeakPolarHBondContact O-CB 3.39Å; R334-V338 WeakPolarHBondContact O-CG2 3.48Å; R334-V338 PolarHBondContact O-N 2.89Å |
| 335 | A | 75.9 | Confident | 74.1 | Confident | 49 Ų | 49 | 106.3 Ų | 106.3 | 41% | 0.405 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C331 I332 V338 K339 | C331-A335 VanDerWaalsContact O-CB 3.28Å; C331-A335 WeakPolarHBondContact O-CB 3.21Å; C331-A335 PolarHBondContact O-N 2.93Å; I332-A335 PolarHBondContact O-N 3.42Å; A335-V338 PolarHBondContact O-N 2.97Å; A335-K339 WeakPolarHBondContact O-CB 3.31Å; A335-K339 VanDerWaalsContact O-CG 3.25Å; A335-K339 WeakPolarHBondContact O-CG 3.2Å; A335-K339 PolarHBondContact O-N 3.46Å |
| 336 | K | 76.2 | Confident | 74.9 | Confident | 134 Ų | 134 | 106 Ų | 106 | 58% | 0.583 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.3 | -44.2 | 173.9 | -75 | 176.5 | -179.9 | 175.6 | 0 | 111.7 | I332 R333 V338 K339 Q340 | I332-K336 HydrophobicContact CG2-CD 4.01Å; I332-K336 HydrophobicContact CG2-CG 4.5Å; I332-K336 WeakPolarHBondContact O-CB 3.25Å; I332-K336 VanDerWaalsContact O-CG 3.3Å; I332-K336 WeakPolarHBondContact O-CG 3.22Å; I332-K336 PolarHBondContact O-N 3.48Å; R333-K336 PolarHBondContact O-N 2.96Å; K336-V338 PolarHBondContact O-N 2.94Å; K336-K339 PolarHBondContact O-N 3.42Å; K336-Q340 WeakPolarHBondContact O-CB 3.18Å; K336-Q340 WeakPolarHBondContact O-CG 3.29Å; K336-Q340 PolarHBondContact O-N 3.16Å |
| 337 | A | 70.6 | Confident | 75.5 | Confident | 59 Ų | 59 | 110.1 Ų | 110.1 | 49% | 0.488 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.5 | -38.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R333 R334 Q340 R341 | R333-A337 VanDerWaalsContact O-CB 3.25Å; R333-A337 WeakPolarHBondContact O-CB 3.23Å; R333-A337 PolarHBondContact O-N 2.93Å; R334-A337 PolarHBondContact O-N 3.15Å; A337-Q340 PolarHBondContact O-N 3.04Å; A337-R341 VanDerWaalsContact O-CB 3.31Å; A337-R341 WeakPolarHBondContact O-CB 3.48Å; A337-R341 PolarHBondContact O-N 3.48Å |
| 338 | V | 68.8 | Low | 75.9 | Confident | 92 Ų | 92 | 109.1 Ų | 109.1 | 56% | 0.558 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.3 | -41.5 | 174.1 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | R334 A335 K336 Q340 R341 G342 | R334-V338 WeakPolarHBondContact O-CB 3.39Å; R334-V338 WeakPolarHBondContact O-CG2 3.48Å; R334-V338 PolarHBondContact O-N 2.89Å; A335-V338 PolarHBondContact O-N 2.97Å; K336-V338 PolarHBondContact O-N 2.94Å; V338-Q340 VanDerWaalsContact C-N 3.31Å; V338-Q340 PolarHBondContact O-N 3.36Å; V338-R341 PolarHBondContact O-N 3.17Å; V338-G342 PolarHBondContact O-N 2.89Å |
| 339 | K | 68.6 | Low | 76.5 | Confident | 156 Ų | 156 | 107 Ų | 107 | 68% | 0.678 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.2 | -39.9 | 172.1 | -76.3 | 176.9 | -178.9 | -171.2 | 0 | 112.1 | A335 K336 I343 | A335-K339 WeakPolarHBondContact O-CB 3.31Å; A335-K339 VanDerWaalsContact O-CG 3.25Å; A335-K339 WeakPolarHBondContact O-CG 3.2Å; A335-K339 PolarHBondContact O-N 3.46Å; K336-K339 PolarHBondContact O-N 3.42Å; K339-I343 WeakPolarHBondContact O-CG1 3.49Å; K339-I343 PolarHBondContact O-N 2.84Å |
| 340 | Q | 64 | Low | 77.2 | Confident | 143 Ų | 143 | 106.7 Ų | 106.7 | 67% | 0.668 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -74.2 | -23.9 | 178.2 | -66.3 | -66.8 | -37.8 | 0 | 0 | 113.5 | K336 A337 V338 I343 | K336-Q340 WeakPolarHBondContact O-CB 3.18Å; K336-Q340 WeakPolarHBondContact O-CG 3.29Å; K336-Q340 PolarHBondContact O-N 3.16Å; A337-Q340 PolarHBondContact O-N 3.04Å; V338-Q340 VanDerWaalsContact C-N 3.31Å; V338-Q340 PolarHBondContact O-N 3.36Å; Q340-I343 WeakPolarHBondContact O-CD1 3.21Å; Q340-I343 WeakPolarHBondContact O-CG1 3.45Å |
| 341 | R | 68.4 | Low | 77.8 | Confident | 235 Ų | 235 | 106.9 Ų | 106.9 | 89% | 0.887 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -92.2 | -21.3 | 176.9 | -154.2 | 174 | -173.1 | 168.6 | 1.2 | 113 | A337 V338 | A337-R341 VanDerWaalsContact O-CB 3.31Å; A337-R341 WeakPolarHBondContact O-CB 3.48Å; A337-R341 PolarHBondContact O-N 3.48Å; V338-R341 PolarHBondContact O-N 3.17Å |
| 342 | G | 63.7 | Low | 78.5 | Confident | 60 Ų | 60 | 109.6 Ų | 109.6 | 62% | 0.619 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -102 | 14.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | V338 S344 | V338-G342 PolarHBondContact O-N 2.89Å; G342-S344 PolarHBondContact O-N 3.46Å |
| 343 | I | 64.9 | Low | 79 | Confident | 73 Ų | 73 | 113.5 Ų | 113.5 | 37% | 0.374 | 56% | 0.564 | S | S | . | * | trans | -66.7 | 104.6 | 169.1 | -37.8 | 169.9 | 0 | 0 | 0 | 106.4 | K339 Q340 H347 | K339-I343 WeakPolarHBondContact O-CG1 3.49Å; K339-I343 PolarHBondContact O-N 2.84Å; Q340-I343 WeakPolarHBondContact O-CD1 3.21Å; Q340-I343 WeakPolarHBondContact O-CG1 3.45Å; I343-H347 HydrophobicContact CG2-CB 3.85Å; I343-H347 WeakPolarHBondContact CG2-CD2 3.4Å | ||
| 344 | S | 75 | Confident | 79.7 | Confident | 70 Ų | 70 | 109.1 Ų | 109.1 | 49% | 0.49 | 56% | 0.557 | S | S | . | * | trans | -60.5 | 145.1 | 175.9 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | G342 L346 H347 E348 | G342-S344 PolarHBondContact O-N 3.46Å; S344-L346 PolarHBondContact O-N 3.3Å; S344-L346 PolarHBondContact OG-N 3.47Å; S344-H347 WeakPolarHBondContact O-CB 3.46Å; S344-H347 PolarHBondContact O-N 2.84Å; S344-E348 PolarHBondContact O-N 2.96Å | ||
| 345 | L | 77 | Confident | 80.6 | Confident | 130 Ų | 130 | 102.5 Ų | 102.5 | 68% | 0.681 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -48.1 | -32 | 170.3 | -178 | 65.7 | 0 | 0 | 0 | 111.1 | E348 V349 | L345-E348 PolarHBondContact O-N 2.84Å; L345-V349 HydrophobicContact CG-CG2 4.41Å; L345-V349 WeakPolarHBondContact O-CB 3.2Å; L345-V349 WeakPolarHBondContact O-CG2 3.41Å; L345-V349 PolarHBondContact O-N 2.99Å |
| 346 | L | 86.5 | Confident | 81.5 | Confident | 113 Ų | 113 | 104.2 Ų | 104.2 | 59% | 0.592 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.5 | -38.8 | 175.6 | -170.8 | 63.5 | 0 | 0 | 0 | 113.5 | S344 E348 V349 D350 | S344-L346 PolarHBondContact O-N 3.3Å; S344-L346 PolarHBondContact OG-N 3.47Å; L346-E348 VanDerWaalsContact C-N 3.35Å; L346-V349 PolarHBondContact O-N 2.89Å; L346-D350 WeakPolarHBondContact O-CB 3.3Å; L346-D350 PolarHBondContact O-N 2.63Å |
| 347 | H | 86.3 | Confident | 82.4 | Confident | 113 Ų | 113 | 103.1 Ų | 103.1 | 52% | 0.523 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.3 | -34.5 | 176.7 | -177.7 | 78.5 | 0 | 0 | 0 | 111.6 | I343 S344 T351 | I343-H347 HydrophobicContact CG2-CB 3.85Å; I343-H347 WeakPolarHBondContact CG2-CD2 3.4Å; S344-H347 WeakPolarHBondContact O-CB 3.46Å; S344-H347 PolarHBondContact O-N 2.84Å; H347-T351 WeakPolarHBondContact O-CB 3.27Å; H347-T351 PolarHBondContact O-N 3.31Å; H347-T351 PolarHBondContact O-OG1 3.11Å |
| 348 | E | 88.2 | Confident | 83.6 | Confident | 107 Ų | 107 | 103.7 Ų | 103.7 | 50% | 0.5 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67 | -44 | 172 | -176 | 167.1 | -157.9 | 0 | 0 | 111 | S344 L345 L346 T351 Q352 | S344-E348 PolarHBondContact O-N 2.96Å; L345-E348 PolarHBondContact O-N 2.84Å; L346-E348 VanDerWaalsContact C-N 3.35Å; E348-T351 PolarHBondContact O-N 3.43Å; E348-Q352 WeakPolarHBondContact O-CB 3.32Å; E348-Q352 VanDerWaalsContact O-CG 3.24Å; E348-Q352 WeakPolarHBondContact O-CG 3.49Å; E348-Q352 PolarHBondContact O-N 3.32Å |
| 349 | V | 91.7 | Very high | 84.9 | Confident | 69 Ų | 69 | 106.3 Ų | 106.3 | 42% | 0.418 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 173.9 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | L345 L346 Q352 Y353 | L345-V349 HydrophobicContact CG-CG2 4.41Å; L345-V349 WeakPolarHBondContact O-CB 3.2Å; L345-V349 WeakPolarHBondContact O-CG2 3.41Å; L345-V349 PolarHBondContact O-N 2.99Å; L346-V349 PolarHBondContact O-N 2.89Å; V349-Q352 PolarHBondContact O-N 2.86Å; V349-Y353 VanDerWaalsContact O-CB 3.28Å; V349-Y353 WeakPolarHBondContact O-CB 3.32Å; V349-Y353 PolarHBondContact O-N 3.4Å |
| 350 | D | 94.1 | Very high | 86.1 | Confident | 86 Ų | 86 | 105.5 Ų | 105.5 | 46% | 0.46 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 175.7 | -87.1 | -8 | 0 | 0 | 0 | 112 | L346 Y353 S354 | L346-D350 WeakPolarHBondContact O-CB 3.3Å; L346-D350 PolarHBondContact O-N 2.63Å; D350-Y353 PolarHBondContact O-N 3.25Å; D350-S354 WeakPolarHBondContact O-CB 3.49Å; D350-S354 PolarHBondContact O-N 3.08Å; D350-S354 PolarHBondContact O-OG 3.47Å |
| 351 | T | 92.3 | Very high | 87.6 | Confident | 75 Ų | 75 | 102.6 Ų | 102.6 | 46% | 0.46 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 175 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | H347 E348 A355 | H347-T351 WeakPolarHBondContact O-CB 3.27Å; H347-T351 PolarHBondContact O-N 3.31Å; H347-T351 PolarHBondContact O-OG1 3.11Å; E348-T351 PolarHBondContact O-N 3.43Å; T351-A355 WeakPolarHBondContact O-CB 3.45Å; T351-A355 PolarHBondContact O-N 2.78Å |
| 352 | Q | 93.9 | Very high | 88.9 | Confident | 115 Ų | 115 | 96.1 Ų | 96.1 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 175.4 | -72 | 178.4 | 16.3 | 0 | 0 | 111.6 | E348 V349 A355 L356 | E348-Q352 WeakPolarHBondContact O-CB 3.32Å; E348-Q352 VanDerWaalsContact O-CG 3.24Å; E348-Q352 WeakPolarHBondContact O-CG 3.49Å; E348-Q352 PolarHBondContact O-N 3.32Å; V349-Q352 PolarHBondContact O-N 2.86Å; Q352-A355 PolarHBondContact O-N 2.9Å; Q352-L356 VanDerWaalsContact O-CB 3.25Å; Q352-L356 WeakPolarHBondContact O-CB 3.21Å; Q352-L356 PolarHBondContact O-N 3.44Å |
| 353 | Y | 94.9 | Very high | 90.3 | Very high | 157 Ų | 157 | 97.9 Ų | 97.9 | 62% | 0.616 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | 177 | -177.1 | -97.5 | 0 | 0 | 0 | 111.4 | V349 D350 L356 K357 | V349-Y353 VanDerWaalsContact O-CB 3.28Å; V349-Y353 WeakPolarHBondContact O-CB 3.32Å; V349-Y353 PolarHBondContact O-N 3.4Å; D350-Y353 PolarHBondContact O-N 3.25Å; Y353-L356 PolarHBondContact O-N 3.47Å; Y353-K357 VanDerWaalsContact O-CB 3.28Å; Y353-K357 WeakPolarHBondContact O-CB 3.45Å; Y353-K357 PolarHBondContact O-N 2.91Å |
| 354 | S | 95 | Very high | 91.4 | Very high | 64 Ų | 64 | 100 Ų | 100 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 176.3 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | D350 K357 V358 | D350-S354 WeakPolarHBondContact O-CB 3.49Å; D350-S354 PolarHBondContact O-N 3.08Å; D350-S354 PolarHBondContact O-OG 3.47Å; S354-K357 PolarHBondContact O-N 3.22Å; S354-V358 VanDerWaalsContact O-CG2 3.32Å; S354-V358 WeakPolarHBondContact O-CG2 3.39Å; S354-V358 PolarHBondContact O-N 3.46Å |
| 355 | A | 95.8 | Very high | 92.2 | Very high | 52 Ų | 52 | 103.3 Ų | 103.3 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T351 Q352 V358 K359 | T351-A355 WeakPolarHBondContact O-CB 3.45Å; T351-A355 PolarHBondContact O-N 2.78Å; Q352-A355 PolarHBondContact O-N 2.9Å; A355-V358 PolarHBondContact O-N 3.24Å; A355-K359 WeakPolarHBondContact O-CG 3.25Å; A355-K359 PolarHBondContact O-N 3.47Å |
| 356 | L | 96.3 | Very high | 92.7 | Very high | 86 Ų | 86 | 103.3 Ų | 103.3 | 45% | 0.45 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.4 | -43.5 | 175.9 | -176.7 | 60.9 | 0 | 0 | 0 | 111.2 | Q352 Y353 V358 K359 Y360 | Q352-L356 VanDerWaalsContact O-CB 3.25Å; Q352-L356 WeakPolarHBondContact O-CB 3.21Å; Q352-L356 PolarHBondContact O-N 3.44Å; Y353-L356 PolarHBondContact O-N 3.47Å; L356-V358 PolarHBondContact O-N 2.92Å; L356-K359 WeakPolarHBondContact O-CB 3.33Å; L356-K359 PolarHBondContact O-N 3.48Å; L356-K359 VanDerWaalsContact O-N 3.16Å; L356-Y360 HydrophobicContact CD1-CD2 3.93Å; L356-Y360 HydrophobicContact CD1-CE2 3.56Å; L356-Y360 HydrophobicContact CD2-CE2 4.08Å; L356-Y360 HydrophobicContact CG-CD2 3.79Å; L356-Y360 HydrophobicContact CG-CE2 3.61Å; L356-Y360 VanDerWaalsContact O-CD2 3.27Å; L356-Y360 WeakPolarHBondContact O-CD2 3.21Å; L356-Y360 PolarHBondContact O-N 3.32Å |
| 357 | K | 94.1 | Very high | 92.5 | Very high | 111 Ų | 111 | 101 Ų | 101 | 48% | 0.483 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 175.2 | -175.8 | -178.7 | 177.3 | -173.5 | 0 | 111.3 | Y353 S354 K359 Y360 E361 | Y353-K357 VanDerWaalsContact O-CB 3.28Å; Y353-K357 WeakPolarHBondContact O-CB 3.45Å; Y353-K357 PolarHBondContact O-N 2.91Å; S354-K357 PolarHBondContact O-N 3.22Å; K357-K359 VanDerWaalsContact C-N 3.32Å; K357-K359 PolarHBondContact O-N 3.2Å; K357-Y360 PolarHBondContact O-N 2.85Å; K357-E361 WeakPolarHBondContact CE-OE1 3.31Å; K357-E361 WeakPolarHBondContact O-CG 3.42Å; K357-E361 PolarHBondContact O-N 2.96Å |
| 358 | V | 96.2 | Very high | 92.3 | Very high | 71 Ų | 71 | 101 Ų | 101 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 175.5 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | S354 A355 L356 Y360 E361 E362 | S354-V358 VanDerWaalsContact O-CG2 3.32Å; S354-V358 WeakPolarHBondContact O-CG2 3.39Å; S354-V358 PolarHBondContact O-N 3.46Å; A355-V358 PolarHBondContact O-N 3.24Å; L356-V358 PolarHBondContact O-N 2.92Å; V358-Y360 PolarHBondContact O-N 3.49Å; V358-E361 PolarHBondContact O-N 3.25Å; V358-E362 HydrophobicContact CG1-CG 4.47Å; V358-E362 WeakPolarHBondContact O-CB 3.36Å; V358-E362 WeakPolarHBondContact O-CG 3.45Å; V358-E362 PolarHBondContact O-N 3.46Å |
| 359 | K | 95.4 | Very high | 91.7 | Very high | 147 Ų | 147 | 102 Ų | 102 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -38.3 | 175.2 | -73.8 | -172.7 | 179.8 | -178 | 0 | 113.1 | A355 L356 K357 E362 L363 | A355-K359 WeakPolarHBondContact O-CG 3.25Å; A355-K359 PolarHBondContact O-N 3.47Å; L356-K359 WeakPolarHBondContact O-CB 3.33Å; L356-K359 PolarHBondContact O-N 3.48Å; L356-K359 VanDerWaalsContact O-N 3.16Å; K357-K359 VanDerWaalsContact C-N 3.32Å; K357-K359 PolarHBondContact O-N 3.2Å; K359-E362 PolarHBondContact O-N 2.93Å; K359-L363 WeakPolarHBondContact O-CB 3.46Å; K359-L363 PolarHBondContact O-N 2.88Å |
| 360 | Y | 95.2 | Very high | 90.6 | Very high | 138 Ų | 138 | 104.8 Ų | 104.8 | 54% | 0.541 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 173.7 | -85.4 | -69.2 | 0 | 0 | 0 | 112.1 | L356 K357 V358 E362 L363 L364 | L356-Y360 HydrophobicContact CD1-CD2 3.93Å; L356-Y360 HydrophobicContact CD1-CE2 3.56Å; L356-Y360 HydrophobicContact CD2-CE2 4.08Å; L356-Y360 HydrophobicContact CG-CD2 3.79Å; L356-Y360 HydrophobicContact CG-CE2 3.61Å; L356-Y360 VanDerWaalsContact O-CD2 3.27Å; L356-Y360 WeakPolarHBondContact O-CD2 3.21Å; L356-Y360 PolarHBondContact O-N 3.32Å; K357-Y360 PolarHBondContact O-N 2.85Å; V358-Y360 PolarHBondContact O-N 3.49Å; Y360-E362 VanDerWaalsContact C-N 3.34Å; Y360-L363 PolarHBondContact O-N 2.88Å; Y360-L364 WeakPolarHBondContact O-CB 3.5Å; Y360-L364 VanDerWaalsContact O-CG 3.31Å; Y360-L364 WeakPolarHBondContact O-CG 3.38Å; Y360-L364 PolarHBondContact O-N 2.81Å |
| 361 | E | 95.2 | Very high | 89.1 | Confident | 83 Ų | 83 | 106.8 Ų | 106.8 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -39 | 174.2 | -73.1 | 175.8 | -172.2 | 0 | 0 | 111.6 | K357 V358 K365 | K357-E361 WeakPolarHBondContact CE-OE1 3.31Å; K357-E361 WeakPolarHBondContact O-CG 3.42Å; K357-E361 PolarHBondContact O-N 2.96Å; V358-E361 PolarHBondContact O-N 3.25Å; E361-K365 WeakPolarHBondContact O-CB 3.46Å; E361-K365 VanDerWaalsContact O-CG 3.24Å; E361-K365 WeakPolarHBondContact O-CG 3.36Å; E361-K365 PolarHBondContact O-N 3.44Å |
| 362 | E | 94.3 | Very high | 87.5 | Confident | 98 Ų | 98 | 106.9 Ų | 106.9 | 46% | 0.458 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 172.5 | -75.6 | 176.9 | -174.3 | 0 | 0 | 112.2 | V358 K359 Y360 K365 K366 | V358-E362 HydrophobicContact CG1-CG 4.47Å; V358-E362 WeakPolarHBondContact O-CB 3.36Å; V358-E362 WeakPolarHBondContact O-CG 3.45Å; V358-E362 PolarHBondContact O-N 3.46Å; K359-E362 PolarHBondContact O-N 2.93Å; Y360-E362 VanDerWaalsContact C-N 3.34Å; E362-K365 PolarHBondContact O-N 3.35Å; E362-K366 WeakPolarHBondContact O-CB 3.44Å; E362-K366 VanDerWaalsContact O-CG 3.3Å; E362-K366 WeakPolarHBondContact O-CG 3.41Å; E362-K366 PolarHBondContact O-N 3.28Å |
| 363 | L | 93.9 | Very high | 85.9 | Confident | 97 Ų | 97 | 105.2 Ų | 105.2 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 175.9 | -174.3 | 66.7 | 0 | 0 | 0 | 111.1 | K359 Y360 K365 K366 C367 | K359-L363 WeakPolarHBondContact O-CB 3.46Å; K359-L363 PolarHBondContact O-N 2.88Å; Y360-L363 PolarHBondContact O-N 2.88Å; L363-K365 VanDerWaalsContact C-N 3.34Å; L363-K365 PolarHBondContact O-N 3.12Å; L363-K366 WeakPolarHBondContact O-CB 3.4Å; L363-K366 PolarHBondContact O-N 2.83Å; L363-K366 VanDerWaalsContact O-N 3.15Å; L363-C367 PolarHBondContact O-N 3.46Å; L363-C367 PolarHBondContact O-SG 3.27Å; L363-C367 VanDerWaalsContact O-SG 3.35Å |
| 364 | L | 88.5 | Confident | 83.9 | Confident | 118 Ų | 118 | 103.7 Ų | 103.7 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.1 | -44.1 | 174.1 | -78 | 166.6 | 0 | 0 | 0 | 111.1 | Y360 K366 C367 Q368 | Y360-L364 WeakPolarHBondContact O-CB 3.5Å; Y360-L364 VanDerWaalsContact O-CG 3.31Å; Y360-L364 WeakPolarHBondContact O-CG 3.38Å; Y360-L364 PolarHBondContact O-N 2.81Å; L364-K366 VanDerWaalsContact C-N 3.33Å; L364-K366 PolarHBondContact O-N 3.15Å; L364-C367 PolarHBondContact O-N 3.48Å; L364-Q368 WeakPolarHBondContact O-CB 3.43Å; L364-Q368 PolarHBondContact O-N 2.88Å |
| 365 | K | 90.8 | Very high | 81.9 | Confident | 140 Ų | 140 | 103.9 Ų | 103.9 | 61% | 0.609 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.4 | -39.6 | 173.8 | -77.9 | 173.2 | -177.4 | 172.4 | 0 | 112 | E361 E362 L363 Q368 Q369 | E361-K365 WeakPolarHBondContact O-CB 3.46Å; E361-K365 VanDerWaalsContact O-CG 3.24Å; E361-K365 WeakPolarHBondContact O-CG 3.36Å; E361-K365 PolarHBondContact O-N 3.44Å; E362-K365 PolarHBondContact O-N 3.35Å; L363-K365 VanDerWaalsContact C-N 3.34Å; L363-K365 PolarHBondContact O-N 3.12Å; K365-Q368 PolarHBondContact O-N 3.11Å; K365-Q369 WeakPolarHBondContact O-CB 3.31Å; K365-Q369 PolarHBondContact O-N 3.22Å |
| 366 | K | 88.8 | Confident | 79.7 | Confident | 129 Ų | 129 | 109.2 Ų | 109.2 | 56% | 0.561 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.1 | -42.4 | 175.6 | -75.8 | 172.4 | -178.4 | 174.4 | 0 | 112.1 | E362 L363 L364 Q369 E370 | E362-K366 WeakPolarHBondContact O-CB 3.44Å; E362-K366 VanDerWaalsContact O-CG 3.3Å; E362-K366 WeakPolarHBondContact O-CG 3.41Å; E362-K366 PolarHBondContact O-N 3.28Å; L363-K366 WeakPolarHBondContact O-CB 3.4Å; L363-K366 PolarHBondContact O-N 2.83Å; L363-K366 VanDerWaalsContact O-N 3.15Å; L364-K366 VanDerWaalsContact C-N 3.33Å; L364-K366 PolarHBondContact O-N 3.15Å; K366-Q369 PolarHBondContact O-N 3.05Å; K366-E370 WeakPolarHBondContact O-CB 3.28Å; K366-E370 PolarHBondContact O-N 2.9Å |
| 367 | C | 82.8 | Confident | 77.7 | Confident | 65 Ų | 65 | 114.2 Ų | 114.2 | 44% | 0.439 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.7 | -41.6 | 174.7 | -66.4 | 0 | 0 | 0 | 0 | 111.8 | L363 L364 E370 Q371 | L363-C367 PolarHBondContact O-N 3.46Å; L363-C367 PolarHBondContact O-SG 3.27Å; L363-C367 VanDerWaalsContact O-SG 3.35Å; L364-C367 PolarHBondContact O-N 3.48Å; C367-E370 PolarHBondContact O-N 2.87Å; C367-Q371 WeakPolarHBondContact O-CB 3.29Å; C367-Q371 PolarHBondContact O-N 3.49Å |
| 368 | Q | 81.7 | Confident | 75.1 | Confident | 114 Ų | 114 | 112.5 Ų | 112.5 | 53% | 0.533 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.3 | -43.2 | 174.4 | -162.6 | 81.5 | 41.9 | 0 | 0 | 110.9 | L364 K365 Q371 D372 | L364-Q368 WeakPolarHBondContact O-CB 3.43Å; L364-Q368 PolarHBondContact O-N 2.88Å; K365-Q368 PolarHBondContact O-N 3.11Å; Q368-Q371 CarbonylContact O-C 3.58Å; Q368-Q371 WeakPolarHBondContact O-CB 3.46Å; Q368-Q371 PolarHBondContact O-N 2.85Å; Q368-D372 WeakPolarHBondContact O-CB 3.37Å; Q368-D372 VanDerWaalsContact O-CG 3.24Å; Q368-D372 PolarHBondContact O-N 3.39Å |
| 369 | Q | 75.4 | Confident | 72.5 | Confident | 128 Ų | 128 | 115.4 Ų | 115.4 | 60% | 0.598 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -73.7 | -30.5 | -179.3 | -168.3 | 162.6 | 16.9 | 0 | 0 | 112.7 | K365 K366 S373 | K365-Q369 WeakPolarHBondContact O-CB 3.31Å; K365-Q369 PolarHBondContact O-N 3.22Å; K366-Q369 PolarHBondContact O-N 3.05Å; Q369-S373 WeakPolarHBondContact O-CB 3.34Å; Q369-S373 PolarHBondContact O-N 2.68Å; Q369-S373 PolarHBondContact O-OG 3.45Å |
| 370 | E | 68.6 | Low | 70.3 | Confident | 127 Ų | 127 | 117 Ų | 117 | 59% | 0.593 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67 | -40.7 | 167 | -86.2 | -177.4 | 151.6 | 0 | 0 | 111 | K366 C367 D372 S373 L374 | K366-E370 WeakPolarHBondContact O-CB 3.28Å; K366-E370 PolarHBondContact O-N 2.9Å; C367-E370 PolarHBondContact O-N 2.87Å; E370-D372 VanDerWaalsContact C-N 3.34Å; E370-S373 PolarHBondContact O-N 3.38Å; E370-L374 VanDerWaalsContact O-CB 3.23Å; E370-L374 WeakPolarHBondContact O-CB 3.35Å; E370-L374 WeakPolarHBondContact O-CD1 3.42Å; E370-L374 VanDerWaalsContact O-CG 3.23Å; E370-L374 WeakPolarHBondContact O-CG 3.01Å; E370-L374 PolarHBondContact O-N 3.32Å |
| 371 | Q | 62.8 | Low | 67.5 | Low | 127 Ų | 127 | 117 Ų | 117 | 59% | 0.593 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.2 | -37.7 | 175.1 | -167.4 | 162.7 | 14.2 | 0 | 0 | 112 | C367 Q368 S375 | C367-Q371 WeakPolarHBondContact O-CB 3.29Å; C367-Q371 PolarHBondContact O-N 3.49Å; Q368-Q371 CarbonylContact O-C 3.58Å; Q368-Q371 WeakPolarHBondContact O-CB 3.46Å; Q368-Q371 PolarHBondContact O-N 2.85Å; Q371-S375 VanDerWaalsContact O-CB 3.23Å; Q371-S375 WeakPolarHBondContact O-CB 3.45Å; Q371-S375 PolarHBondContact O-N 2.86Å; Q371-S375 PolarHBondContact O-OG 3.41Å |
| 372 | D | 58.3 | Low | 65.1 | Low | 77 Ų | 77 | 118.8 Ų | 118.8 | 41% | 0.412 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -74.3 | -35.3 | 174.1 | -67.5 | -25 | 0 | 0 | 0 | 111.9 | Q368 E370 S375 H376 | Q368-D372 WeakPolarHBondContact O-CB 3.37Å; Q368-D372 VanDerWaalsContact O-CG 3.24Å; Q368-D372 PolarHBondContact O-N 3.39Å; E370-D372 VanDerWaalsContact C-N 3.34Å; D372-S375 WeakPolarHBondContact CA-OG 3.49Å; D372-S375 PolarHBondContact O-N 3.33Å; D372-S375 PolarHBondContact O-OG 2.79Å; D372-H376 PolarHBondContact O-CD2 2.94Å; D372-H376 PolarHBondContact O-N 3.45Å |
| 373 | S | 59.2 | Low | 62.1 | Low | 81 Ų | 81 | 125.9 Ų | 125.9 | 57% | 0.566 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -70.2 | -31.7 | 174.4 | -60 | 0 | 0 | 0 | 0 | 112.4 | Q369 E370 | Q369-S373 WeakPolarHBondContact O-CB 3.34Å; Q369-S373 PolarHBondContact O-N 2.68Å; Q369-S373 PolarHBondContact O-OG 3.45Å; E370-S373 PolarHBondContact O-N 3.38Å |
| 374 | L | 54.7 | Low | 59.3 | Low | 125 Ų | 125 | 125.4 Ų | 125.4 | 65% | 0.654 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -80.8 | -32.5 | 174.5 | -74.9 | 160.9 | 0 | 0 | 0 | 112.3 | E370 H376 K377 A378 | E370-L374 VanDerWaalsContact O-CB 3.23Å; E370-L374 WeakPolarHBondContact O-CB 3.35Å; E370-L374 WeakPolarHBondContact O-CD1 3.42Å; E370-L374 VanDerWaalsContact O-CG 3.23Å; E370-L374 WeakPolarHBondContact O-CG 3.01Å; E370-L374 PolarHBondContact O-N 3.32Å; L374-H376 VanDerWaalsContact C-N 3.28Å; L374-H376 PolarHBondContact O-N 3.49Å; L374-K377 PolarHBondContact O-N 2.93Å; L374-A378 PolarHBondContact O-N 3.43Å |
| 375 | S | 51.3 | Low | 57.4 | Low | 67 Ų | 67 | 126 Ų | 126 | 47% | 0.469 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -70 | -24.7 | 176.5 | 75.8 | 0 | 0 | 0 | 0 | 112.8 | Q371 D372 K377 | Q371-S375 VanDerWaalsContact O-CB 3.23Å; Q371-S375 WeakPolarHBondContact O-CB 3.45Å; Q371-S375 PolarHBondContact O-N 2.86Å; Q371-S375 PolarHBondContact O-OG 3.41Å; D372-S375 WeakPolarHBondContact CA-OG 3.49Å; D372-S375 PolarHBondContact O-N 3.33Å; D372-S375 PolarHBondContact O-OG 2.79Å; S375-K377 VanDerWaalsContact C-N 3.3Å; S375-K377 PolarHBondContact O-N 3.18Å |
| 376 | H | 50.5 | Low | 54.7 | Low | 164 Ų | 164 | 124.3 Ų | 124.3 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 3.5 | 173 | -69 | -53.8 | 0 | 0 | 0 | 114.8 | D372 L374 | D372-H376 PolarHBondContact O-CD2 2.94Å; D372-H376 PolarHBondContact O-N 3.45Å; L374-H376 VanDerWaalsContact C-N 3.28Å; L374-H376 PolarHBondContact O-N 3.49Å |
| 377 | K | 54.1 | Low | 52.2 | Low | 191 Ų | 191 | 127.8 Ų | 127.8 | 83% | 0.83 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.1 | -1 | 174.6 | -132.4 | 177 | -176.4 | -178.6 | 0 | 115.5 | L374 S375 V379 | L374-K377 PolarHBondContact O-N 2.93Å; S375-K377 VanDerWaalsContact C-N 3.3Å; S375-K377 PolarHBondContact O-N 3.18Å; K377-V379 PolarHBondContact O-N 2.88Å |
| 378 | A | 40.4 | Very low | 50 | Low | 76 Ų | 76 | 131.9 Ų | 131.9 | 63% | 0.628 | 72% | 0.715 | S | S | * | * | trans | -91.2 | 104.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L374 | L374-A378 PolarHBondContact O-N 3.43Š| ||
| 379 | V | 40.8 | Very low | 47.8 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | trans | -45.7 | 136.4 | 166.4 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | K377 T381 | K377-V379 PolarHBondContact O-N 2.88Å; V379-T381 PolarHBondContact O-N 3.4Å | ||
| 380 | Q | 49.8 | Very low | 45.8 | Very low | 180 Ų | 180 | 134.7 Ų | 134.7 | 84% | 0.841 | 74% | 0.742 | S | S | * | * | trans | -27.4 | 114.6 | 162.7 | -68.6 | 167.7 | -30.9 | 0 | 0 | 113.7 | ||||
| 381 | T | 36.7 | Very low | 44 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | trans | -131.8 | 119.3 | 134.2 | 51.6 | 0 | 0 | 0 | 0 | 108 | V379 | V379-T381 PolarHBondContact O-N 3.4Š| ||
| 382 | S | 42.9 | Very low | 42.5 | Very low | 121 Ų | 121 | 132 Ų | 132 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | -68.6 | 137.6 | 174.7 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 383 | R | 32.4 | Very low | 41.1 | Very low | 247 Ų | 247 | 135.8 Ų | 135.8 | 93% | 0.932 | 78% | 0.776 | S | S | * | * | trans | -146.7 | 103 | 148.7 | -163.3 | 166 | 178.9 | 165.4 | -2.4 | 110.2 | ||||
| 384 | A | 33.8 | Very low | 39.8 | Very low | 87 Ų | 87 | 135.8 Ų | 135.8 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | trans | -84.8 | 163.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 385 | P | 50.6 | Low | 38.6 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -93.7 | 160.4 | -145.8 | 37.1 | -34.9 | 0 | 0 | 0 | 113.3 | ||||
| 386 | A | 33.4 | Very low | 37.7 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -126.9 | 127 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 387 | K | 36.1 | Very low | 36.7 | Very low | 203 Ų | 203 | 141 Ų | 141 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -59 | 156.9 | 179 | -87 | 166.8 | 164.4 | 173.9 | 0 | 114.3 | ||||
| 388 | D | 35.8 | Very low | 36.2 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -32.6 | 145.3 | 157 | -61.3 | -52.3 | 0 | 0 | 0 | 115.2 | ||||
| 389 | L | 36.8 | Very low | 35.5 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | -175.2 | 116.2 | 128.9 | -93.4 | 160 | 0 | 0 | 0 | 110.5 | |||||
| 390 | T | 33 | Very low | 35 | Very low | 136 Ų | 136 | 137 Ų | 137 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | 4.1 | 136.3 | 146 | 24.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 391 | G | 30.2 | Very low | 34.1 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | 147.8 | 99 | 136.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 392 | V | 31.8 | Very low | 33.7 | Very low | 128 Ų | 128 | 130.6 Ų | 130.6 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | 77.3 | 116.8 | 132.1 | 179 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 393 | N | 28.4 | Very low | 33.1 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | trans | 59.4 | 146.6 | 144.8 | -72.4 | -12.6 | 0 | 0 | 0 | 119.4 | ||||
| 394 | A | 32.5 | Very low | 33 | Very low | 81 Ų | 81 | 133.9 Ų | 133.9 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | cis | -163.4 | 159 | 6.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 395 | Q | 30 | Very low | 32.9 | Very low | 183 Ų | 183 | 138.1 Ų | 138.1 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | 31.7 | 129.5 | 151.6 | -58.5 | -166.6 | -50.1 | 0 | 0 | 118.3 | ||||
| 396 | S | 32.4 | Very low | 31.9 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | 179.1 | 134.2 | 64.7 | -42.6 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 397 | E | 29.3 | Very low | 31.9 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -68.1 | 165 | 149.6 | -86.6 | -92.5 | 153.3 | 0 | 0 | 108.5 | ||||
| 398 | P | 42.4 | Very low | 31.6 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | cis | -154.6 | -178.8 | 33.4 | 40.9 | -17.7 | 0 | 0 | 0 | 118.6 | ||||
| 399 | V | 25.9 | Very low | 31.5 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | trans | 86.8 | 107.6 | 145.5 | -179.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 400 | A | 31.1 | Very low | 31.6 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | 52.2 | 155.6 | 122.8 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 401 | S | 29.9 | Very low | 31.7 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | 83.7 | 126.5 | 174.8 | 78.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 402 | G | 28.6 | Very low | 32.5 | Very low | 68 Ų | 68 | 133.4 Ų | 133.4 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | cis | 130.2 | 80.8 | 18.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 403 | W | 31.1 | Very low | 32.7 | Very low | 249 Ų | 249 | 133.9 Ų | 133.9 | 94% | 0.943 | 78% | 0.783 | S | S | * | * | trans | -120 | 96.6 | -177.7 | -67.7 | -10 | 0 | 0 | 0 | 110.9 | ||||
| 404 | E | 29.8 | Very low | 33.3 | Very low | 187 Ų | 187 | 132.3 Ų | 132.3 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -66 | 136.4 | 143.5 | -76.8 | 178.4 | 133.7 | 0 | 0 | 108.2 | ||||
| 405 | L | 32.1 | Very low | 33.6 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | trans | -143.6 | 127.6 | 153.7 | -134.8 | 81.6 | 0 | 0 | 0 | 111.1 | ||||
| 406 | A | 29.5 | Very low | 34.3 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | trans | -70.9 | 147.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 407 | S | 32.8 | Very low | 35.1 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 10.4 | 110.3 | 137.7 | -174.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 408 | V | 29.5 | Very low | 36.5 | Very low | 134 Ų | 134 | 127 Ų | 127 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | -137.8 | 122.9 | 149.3 | 176.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 409 | N | 33.6 | Very low | 37.5 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | trans | -118.2 | 132.9 | 168.6 | -164.4 | 20.3 | 0 | 0 | 0 | 107.9 | ||||
| 410 | P | 39.8 | Very low | 39.9 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -135.7 | 125.3 | 140.1 | 24.8 | -5.2 | 0 | 0 | 0 | 112.1 | ||||
| 411 | E | 34.5 | Very low | 42.2 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | trans | -83.1 | 173.6 | 163.7 | -97.6 | -168.8 | -178.8 | 0 | 0 | 110.7 | ||||
| 412 | P | 46.7 | Very low | 44.8 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | cis | -136.1 | 138.2 | 7.9 | 31.2 | -9.7 | 0 | 0 | 0 | 115 | ||||
| 413 | V | 37.3 | Very low | 47.6 | Very low | 139 Ų | 139 | 130 Ų | 130 | 84% | 0.842 | 73% | 0.725 | S | S | * | * | trans | -128.9 | 119.7 | 158.5 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | S415 | V413-S415 PolarHBondContact O-N 2.89Å; V413-S415 VanDerWaalsContact O-N 3.15Å | ||
| 414 | S | 41.7 | Very low | 50.2 | Low | 123 Ų | 123 | 120.6 Ų | 120.6 | 86% | 0.86 | 70% | 0.701 | S | S | * | * | trans | -61.9 | 105 | 179.1 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 415 | S | 38.1 | Very low | 53 | Low | 79 Ų | 79 | 116.3 Ų | 116.3 | 55% | 0.552 | 68% | 0.683 | S | S | * | * | trans | -143.1 | 145 | 151.4 | 62.3 | 0 | 0 | 0 | 0 | 107.1 | V413 T417 | V413-S415 PolarHBondContact O-N 2.89Å; V413-S415 VanDerWaalsContact O-N 3.15Å; S415-T417 PolarHBondContact O-N 3.35Å | ||
| 416 | P | 45.2 | Very low | 55.9 | Low | 127 Ų | 127 | 113.2 Ų | 113.2 | 83% | 0.825 | 66% | 0.662 | S | S | * | * | trans | -77.1 | 77.5 | -176.4 | 32.6 | -31.5 | 0 | 0 | 0 | 107.8 | T418 | P416-T418 PolarHBondContact O-N 2.95Š| ||
| 417 | T | 47.7 | Very low | 58.8 | Low | 111 Ų | 111 | 116.6 Ų | 116.6 | 68% | 0.681 | 66% | 0.661 | S | S | * | * | trans | -74.9 | 87 | 168.7 | -38.2 | 0 | 0 | 0 | 0 | 106.2 | S415 P419 | S415-T417 PolarHBondContact O-N 3.35Å; T417-P419 VanDerWaalsContact O-N 3.12Å | ||
| 418 | T | 58.9 | Low | 61.6 | Low | 118 Ų | 118 | 116.8 Ų | 116.8 | 72% | 0.724 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -47 | 122.6 | 159.9 | 32.4 | 0 | 0 | 0 | 0 | 106.6 | P416 | P416-T418 PolarHBondContact O-N 2.95Š|
| 419 | P | 64.1 | Low | 64.6 | Low | 76 Ų | 76 | 114 Ų | 114 | 49% | 0.494 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -58 | 135 | 179.7 | 23.6 | -31.9 | 0 | 0 | 0 | 107.4 | T417 E421 K423 | T417-P419 VanDerWaalsContact O-N 3.12Å; P419-E421 PolarHBondContact O-N 2.88Å; P419-K423 HydrophobicContact CB-CB 4.24Å |
| 420 | P | 76.4 | Confident | 67.5 | Low | 59 Ų | 59 | 113.4 Ų | 113.4 | 38% | 0.383 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 142.9 | -179 | 20.2 | -32.2 | 0 | 0 | 0 | 110.2 | Y422 K423 | P420-Y422 HydrophobicContact CB-CD1 3.63Å; P420-Y422 HydrophobicContact CB-CE1 3.45Å; P420-Y422 VanDerWaalsContact CB-CE1 3.45Å; P420-Y422 HydrophobicContact CG-CD1 3.87Å; P420-Y422 HydrophobicContact CG-CE1 3.22Å; P420-Y422 PolarHBondContact O-N 2.78Å; P420-K423 WeakPolarHBondContact O-CB 3.43Å; P420-K423 PolarHBondContact O-N 2.93Å |
| 421 | E | 80 | Confident | 70.1 | Confident | 176 Ų | 176 | 110.7 Ų | 110.7 | 82% | 0.822 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -51.3 | -33.9 | -167.3 | -66.4 | -178.3 | 173.9 | 0 | 0 | 113.2 | P419 K423 A424 L425 | P419-E421 PolarHBondContact O-N 2.88Å; E421-K423 VanDerWaalsContact C-N 3.3Å; E421-K423 PolarHBondContact O-N 3.41Å; E421-A424 WeakPolarHBondContact O-CB 3.34Å; E421-A424 PolarHBondContact O-N 2.79Å; E421-A424 VanDerWaalsContact O-N 3.08Å; E421-L425 PolarHBondContact O-N 3.01Å |
| 422 | Y | 83.1 | Confident | 72.7 | Confident | 137 Ų | 137 | 105.9 Ų | 105.9 | 54% | 0.537 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60 | -36.2 | 175.7 | 79.5 | -92.7 | 0 | 0 | 0 | 112.9 | P420 L425 F426 | P420-Y422 HydrophobicContact CB-CD1 3.63Å; P420-Y422 HydrophobicContact CB-CE1 3.45Å; P420-Y422 VanDerWaalsContact CB-CE1 3.45Å; P420-Y422 HydrophobicContact CG-CD1 3.87Å; P420-Y422 HydrophobicContact CG-CE1 3.22Å; P420-Y422 PolarHBondContact O-N 2.78Å; Y422-L425 PolarHBondContact O-N 2.79Å; Y422-F426 HydrophobicContact CD2-CD2 4.04Å; Y422-F426 HydrophobicContact CD2-CE2 4.25Å; Y422-F426 WeakPolarHBondContact O-CB 3.47Å; Y422-F426 WeakPolarHBondContact O-CD2 3.43Å; Y422-F426 PolarHBondContact O-N 2.86Å |
| 423 | K | 87.3 | Confident | 75 | Confident | 115 Ų | 115 | 105.4 Ų | 105.4 | 50% | 0.5 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -68.5 | -33.9 | 175.4 | -94.8 | -171.2 | 175.6 | 178 | 0 | 112 | P419 P420 E421 K427 | P419-K423 HydrophobicContact CB-CB 4.24Å; P420-K423 WeakPolarHBondContact O-CB 3.43Å; P420-K423 PolarHBondContact O-N 2.93Å; E421-K423 VanDerWaalsContact C-N 3.3Å; E421-K423 PolarHBondContact O-N 3.41Å; K423-K427 WeakPolarHBondContact O-CG 3.24Å; K423-K427 PolarHBondContact O-N 2.93Å; K423-K427 VanDerWaalsContact O-N 3.11Å |
| 424 | A | 87 | Confident | 77.6 | Confident | 51 Ų | 51 | 106 Ų | 106 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69 | -44.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | E421 F426 K427 E428 | E421-A424 WeakPolarHBondContact O-CB 3.34Å; E421-A424 PolarHBondContact O-N 2.79Å; E421-A424 VanDerWaalsContact O-N 3.08Å; A424-F426 PolarHBondContact O-N 3.48Å; A424-K427 WeakPolarHBondContact O-CB 3.33Å; A424-K427 PolarHBondContact O-N 3.37Å; A424-K427 VanDerWaalsContact O-N 3.16Å; A424-E428 PolarHBondContact O-N 2.83Å |
| 425 | L | 88.6 | Confident | 80.1 | Confident | 96 Ų | 96 | 106.2 Ų | 106.2 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60 | -45.3 | 175 | -173.7 | 71.5 | 0 | 0 | 0 | 111.9 | E421 Y422 K427 E428 I429 | E421-L425 PolarHBondContact O-N 3.01Å; Y422-L425 PolarHBondContact O-N 2.79Å; L425-K427 VanDerWaalsContact C-N 3.32Å; L425-K427 PolarHBondContact O-N 3.33Å; L425-E428 PolarHBondContact O-N 2.82Å; L425-E428 VanDerWaalsContact O-N 3.15Å; L425-I429 HydrophobicContact CD1-CD1 4.44Å; L425-I429 HydrophobicContact CD2-CD1 4.29Å; L425-I429 HydrophobicContact CG-CD1 3.84Å; L425-I429 HydrophobicContact CG-CG1 4.38Å; L425-I429 WeakPolarHBondContact O-CB 3.27Å; L425-I429 VanDerWaalsContact O-CG1 3.27Å; L425-I429 WeakPolarHBondContact O-CG1 3.33Å; L425-I429 PolarHBondContact O-N 3.23Å |
| 426 | F | 91.9 | Very high | 82.7 | Confident | 112 Ų | 112 | 106 Ų | 106 | 49% | 0.491 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 175.3 | -90.1 | -70 | 0 | 0 | 0 | 111.7 | Y422 A424 E428 I429 F430 | Y422-F426 HydrophobicContact CD2-CD2 4.04Å; Y422-F426 HydrophobicContact CD2-CE2 4.25Å; Y422-F426 WeakPolarHBondContact O-CB 3.47Å; Y422-F426 WeakPolarHBondContact O-CD2 3.43Å; Y422-F426 PolarHBondContact O-N 2.86Å; A424-F426 PolarHBondContact O-N 3.48Å; F426-E428 VanDerWaalsContact C-N 3.31Å; F426-E428 PolarHBondContact O-N 3.41Å; F426-I429 PolarHBondContact O-N 3.2Å; F426-F430 HydrophobicContact CB-CD2 4.4Å; F426-F430 HydrophobicContact CB-CE2 4.44Å; F426-F430 HydrophobicContact CD1-CD2 4.46Å; F426-F430 AromaticContact CD1-CE2 3.87Å; F426-F430 HydrophobicContact CD1-CE2 3.87Å; F426-F430 WeakPolarHBondContact O-CB 3.42Å; F426-F430 WeakPolarHBondContact O-CD2 3.49Å; F426-F430 PolarHBondContact O-N 3.43Å |
| 427 | K | 90.2 | Very high | 85 | Confident | 156 Ų | 156 | 106.3 Ų | 106.3 | 68% | 0.678 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.2 | -39.3 | 174.7 | -77.5 | -178.2 | 177.2 | -174.5 | 0 | 111.9 | K423 A424 L425 S431 | K423-K427 WeakPolarHBondContact O-CG 3.24Å; K423-K427 PolarHBondContact O-N 2.93Å; K423-K427 VanDerWaalsContact O-N 3.11Å; A424-K427 WeakPolarHBondContact O-CB 3.33Å; A424-K427 PolarHBondContact O-N 3.37Å; A424-K427 VanDerWaalsContact O-N 3.16Å; L425-K427 VanDerWaalsContact C-N 3.32Å; L425-K427 PolarHBondContact O-N 3.33Å; K427-S431 WeakPolarHBondContact O-CB 3.38Å; K427-S431 PolarHBondContact O-N 3.4Å |
| 428 | E | 92.3 | Very high | 87.1 | Confident | 124 Ų | 124 | 106.6 Ų | 106.6 | 58% | 0.579 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.2 | -47.2 | 176.5 | -171.7 | 173.5 | -176.4 | 0 | 0 | 111.7 | A424 L425 F426 F430 S431 C432 | A424-E428 PolarHBondContact O-N 2.83Å; L425-E428 PolarHBondContact O-N 2.82Å; L425-E428 VanDerWaalsContact O-N 3.15Å; F426-E428 VanDerWaalsContact C-N 3.31Å; F426-E428 PolarHBondContact O-N 3.41Å; E428-F430 PolarHBondContact O-N 3.43Å; E428-S431 CarbonylContact O-C 3.22Å; E428-S431 WeakPolarHBondContact O-CB 3.49Å; E428-S431 PolarHBondContact O-N 2.86Å; E428-S431 VanDerWaalsContact O-N 3.11Å; E428-C432 PolarHBondContact O-N 2.87Å |
| 429 | I | 92.9 | Very high | 88.6 | Confident | 74 Ų | 74 | 106.1 Ų | 106.1 | 38% | 0.379 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.8 | -49.1 | 174.9 | -68.8 | 167.9 | 0 | 0 | 0 | 110.4 | L425 F426 S431 C432 I433 | L425-I429 HydrophobicContact CD1-CD1 4.44Å; L425-I429 HydrophobicContact CD2-CD1 4.29Å; L425-I429 HydrophobicContact CG-CD1 3.84Å; L425-I429 HydrophobicContact CG-CG1 4.38Å; L425-I429 WeakPolarHBondContact O-CB 3.27Å; L425-I429 VanDerWaalsContact O-CG1 3.27Å; L425-I429 WeakPolarHBondContact O-CG1 3.33Å; L425-I429 PolarHBondContact O-N 3.23Å; F426-I429 PolarHBondContact O-N 3.2Å; I429-S431 VanDerWaalsContact C-N 3.29Å; I429-S431 PolarHBondContact O-N 2.81Å; I429-C432 PolarHBondContact O-N 2.94Å; I429-I433 HydrophobicContact CG2-CD1 3.65Å; I429-I433 HydrophobicContact CG2-CG1 4.36Å; I429-I433 WeakPolarHBondContact O-CB 3.38Å; I429-I433 VanDerWaalsContact O-CG1 3.24Å; I429-I433 WeakPolarHBondContact O-CG1 3.23Å; I429-I433 PolarHBondContact O-N 2.64Å |
| 430 | F | 94.2 | Very high | 89.8 | Confident | 122 Ų | 122 | 106 Ų | 106 | 54% | 0.535 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.8 | -31.8 | 177.6 | -78.2 | -61.6 | 0 | 0 | 0 | 112.6 | F426 E428 K434 | F426-F430 HydrophobicContact CB-CD2 4.4Å; F426-F430 HydrophobicContact CB-CE2 4.44Å; F426-F430 HydrophobicContact CD1-CD2 4.46Å; F426-F430 AromaticContact CD1-CE2 3.87Å; F426-F430 HydrophobicContact CD1-CE2 3.87Å; F426-F430 WeakPolarHBondContact O-CB 3.42Å; F426-F430 WeakPolarHBondContact O-CD2 3.49Å; F426-F430 PolarHBondContact O-N 3.43Å; E428-F430 PolarHBondContact O-N 3.43Å; F430-K434 WeakPolarHBondContact O-CB 3.1Å; F430-K434 VanDerWaalsContact O-CG 3.25Å; F430-K434 WeakPolarHBondContact O-CG 3.3Å; F430-K434 PolarHBondContact O-N 2.85Å |
| 431 | S | 93.6 | Very high | 90.3 | Very high | 57 Ų | 57 | 106.6 Ų | 106.6 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.9 | -45.9 | 173.6 | -170.9 | 0 | 0 | 0 | 0 | 111.3 | K427 E428 I429 K434 K435 | K427-S431 WeakPolarHBondContact O-CB 3.38Å; K427-S431 PolarHBondContact O-N 3.4Å; E428-S431 CarbonylContact O-C 3.22Å; E428-S431 WeakPolarHBondContact O-CB 3.49Å; E428-S431 PolarHBondContact O-N 2.86Å; E428-S431 VanDerWaalsContact O-N 3.11Å; I429-S431 VanDerWaalsContact C-N 3.29Å; I429-S431 PolarHBondContact O-N 2.81Å; S431-K434 PolarHBondContact O-N 2.91Å; S431-K435 WeakPolarHBondContact O-CG 3.48Å; S431-K435 PolarHBondContact O-N 2.85Å |
| 432 | C | 90.8 | Very high | 90.7 | Very high | 64 Ų | 64 | 102 Ų | 102 | 43% | 0.432 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 175.4 | -75.4 | 0 | 0 | 0 | 0 | 111.6 | E428 I429 K434 K435 T436 | E428-C432 PolarHBondContact O-N 2.87Å; I429-C432 PolarHBondContact O-N 2.94Å; C432-K434 VanDerWaalsContact C-N 3.29Å; C432-K434 PolarHBondContact O-N 3.15Å; C432-K435 PolarHBondContact O-N 2.77Å; C432-K435 VanDerWaalsContact O-N 3.14Å; C432-T436 PolarHBondContact O-N 2.83Å; C432-T436 PolarHBondContact O-OG1 3.22Å; C432-T436 VanDerWaalsContact O-OG1 3.05Å |
| 433 | I | 93.9 | Very high | 90.8 | Very high | 97 Ų | 97 | 100.7 Ų | 100.7 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.2 | -41.1 | 176.6 | -68.1 | 168.1 | 0 | 0 | 0 | 111 | I429 K437 | I429-I433 HydrophobicContact CG2-CD1 3.65Å; I429-I433 HydrophobicContact CG2-CG1 4.36Å; I429-I433 WeakPolarHBondContact O-CB 3.38Å; I429-I433 VanDerWaalsContact O-CG1 3.24Å; I429-I433 WeakPolarHBondContact O-CG1 3.23Å; I429-I433 PolarHBondContact O-N 2.64Å; I433-K437 WeakPolarHBondContact O-CB 3.46Å; I433-K437 PolarHBondContact O-N 3.25Å |
| 434 | K | 92.4 | Very high | 90.6 | Very high | 152 Ų | 152 | 103.4 Ų | 103.4 | 66% | 0.661 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.6 | -41.6 | 176 | -79 | 178.2 | -178.9 | -176.9 | 0 | 112.4 | F430 S431 C432 K437 Q438 | F430-K434 WeakPolarHBondContact O-CB 3.1Å; F430-K434 VanDerWaalsContact O-CG 3.25Å; F430-K434 WeakPolarHBondContact O-CG 3.3Å; F430-K434 PolarHBondContact O-N 2.85Å; S431-K434 PolarHBondContact O-N 2.91Å; C432-K434 VanDerWaalsContact C-N 3.29Å; C432-K434 PolarHBondContact O-N 3.15Å; K434-K437 PolarHBondContact O-N 3.44Å; K434-Q438 WeakPolarHBondContact O-CB 3.4Å; K434-Q438 PolarHBondContact O-N 3.25Å |
| 435 | K | 93.5 | Very high | 90.2 | Very high | 128 Ų | 128 | 105.2 Ų | 105.2 | 56% | 0.557 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.2 | -48.6 | 174.9 | -77.2 | -177.7 | 178 | -178.5 | 0 | 111.5 | S431 C432 K437 Q438 E439 | S431-K435 WeakPolarHBondContact O-CG 3.48Å; S431-K435 PolarHBondContact O-N 2.85Å; C432-K435 PolarHBondContact O-N 2.77Å; C432-K435 VanDerWaalsContact O-N 3.14Å; K435-K437 VanDerWaalsContact C-N 3.3Å; K435-K437 PolarHBondContact O-N 3.04Å; K435-Q438 PolarHBondContact O-N 3.48Å; K435-Q438 VanDerWaalsContact O-N 3.12Å; K435-E439 WeakPolarHBondContact O-CG 3.31Å; K435-E439 PolarHBondContact O-N 3.17Å |
| 436 | T | 93.8 | Very high | 89.7 | Confident | 73 Ų | 73 | 106.5 Ų | 106.5 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 177.3 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | C432 E439 I440 | C432-T436 PolarHBondContact O-N 2.83Å; C432-T436 PolarHBondContact O-OG1 3.22Å; C432-T436 VanDerWaalsContact O-OG1 3.05Å; T436-E439 PolarHBondContact O-N 2.96Å; T436-I440 HydrophobicContact CG2-CD1 4.05Å; T436-I440 VanDerWaalsContact O-CG1 3.26Å; T436-I440 WeakPolarHBondContact O-CG1 3.35Å; T436-I440 PolarHBondContact O-N 3.47Å |
| 437 | K | 93 | Very high | 88.6 | Confident | 135 Ų | 135 | 109.3 Ų | 109.3 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.3 | -45.8 | 173.9 | -176 | 179.8 | 176.2 | -178.5 | 0 | 111.6 | I433 K434 K435 I440 D441 | I433-K437 WeakPolarHBondContact O-CB 3.46Å; I433-K437 PolarHBondContact O-N 3.25Å; K434-K437 PolarHBondContact O-N 3.44Å; K435-K437 VanDerWaalsContact C-N 3.3Å; K435-K437 PolarHBondContact O-N 3.04Å; K437-I440 PolarHBondContact O-N 2.7Å; K437-D441 PolarHBondContact O-N 3.06Å |
| 438 | Q | 90.4 | Very high | 87.7 | Confident | 117 Ų | 117 | 111.3 Ų | 111.3 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 177.7 | -174.7 | 179.9 | -17.7 | 0 | 0 | 111.9 | K434 K435 I440 D441 E442 | K434-Q438 WeakPolarHBondContact O-CB 3.4Å; K434-Q438 PolarHBondContact O-N 3.25Å; K435-Q438 PolarHBondContact O-N 3.48Å; K435-Q438 VanDerWaalsContact O-N 3.12Å; Q438-I440 VanDerWaalsContact C-N 3.35Å; Q438-I440 PolarHBondContact O-N 2.83Å; Q438-D441 PolarHBondContact O-N 3.17Å; Q438-E442 HydrophobicContact CG-CG 4.49Å; Q438-E442 PolarHBondContact NE2-OE1 3.3Å; Q438-E442 WeakPolarHBondContact O-CB 3.44Å; Q438-E442 WeakPolarHBondContact O-CG 3.23Å; Q438-E442 PolarHBondContact O-N 2.97Å |
| 439 | E | 90.8 | Very high | 86.3 | Confident | 108 Ų | 108 | 108.4 Ų | 108.4 | 51% | 0.505 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 175.9 | -76 | 174.4 | -175.9 | 0 | 0 | 112.2 | K435 T436 E442 Q443 | K435-E439 WeakPolarHBondContact O-CG 3.31Å; K435-E439 PolarHBondContact O-N 3.17Å; T436-E439 PolarHBondContact O-N 2.96Å; E439-E442 PolarHBondContact O-N 2.86Å; E439-Q443 WeakPolarHBondContact O-CB 3.17Å; E439-Q443 VanDerWaalsContact O-CG 3.31Å; E439-Q443 WeakPolarHBondContact O-CG 3.36Å; E439-Q443 PolarHBondContact O-N 2.77Å |
| 440 | I | 89.9 | Confident | 84.7 | Confident | 72 Ų | 72 | 110.9 Ų | 110.9 | 37% | 0.369 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 175.4 | -69.3 | 166.7 | 0 | 0 | 0 | 110.8 | T436 K437 Q438 Q443 R444 | T436-I440 HydrophobicContact CG2-CD1 4.05Å; T436-I440 VanDerWaalsContact O-CG1 3.26Å; T436-I440 WeakPolarHBondContact O-CG1 3.35Å; T436-I440 PolarHBondContact O-N 3.47Å; K437-I440 PolarHBondContact O-N 2.7Å; Q438-I440 VanDerWaalsContact C-N 3.35Å; Q438-I440 PolarHBondContact O-N 2.83Å; I440-Q443 PolarHBondContact O-N 3.02Å; I440-R444 WeakPolarHBondContact O-CB 3.23Å; I440-R444 VanDerWaalsContact O-CG 3.31Å; I440-R444 WeakPolarHBondContact O-CG 3.29Å; I440-R444 PolarHBondContact O-N 3.18Å |
| 441 | D | 86.6 | Confident | 82.9 | Confident | 72 Ų | 72 | 109.5 Ų | 109.5 | 39% | 0.385 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 177.8 | -71.5 | -25.3 | 0 | 0 | 0 | 111.6 | K437 Q438 R444 T445 | K437-D441 PolarHBondContact O-N 3.06Å; Q438-D441 PolarHBondContact O-N 3.17Å; D441-R444 PolarHBondContact O-N 3.45Å; D441-T445 WeakPolarHBondContact O-CG2 3.44Å; D441-T445 PolarHBondContact O-N 3.48Å; D441-T445 PolarHBondContact O-OG1 2.8Å |
| 442 | E | 88.8 | Confident | 81.1 | Confident | 80 Ų | 80 | 110.8 Ų | 110.8 | 37% | 0.374 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 172.2 | -76.7 | 178.9 | -160.5 | 0 | 0 | 112.4 | Q438 E439 T445 K446 | Q438-E442 HydrophobicContact CG-CG 4.49Å; Q438-E442 PolarHBondContact NE2-OE1 3.3Å; Q438-E442 WeakPolarHBondContact O-CB 3.44Å; Q438-E442 WeakPolarHBondContact O-CG 3.23Å; Q438-E442 PolarHBondContact O-N 2.97Å; E439-E442 PolarHBondContact O-N 2.86Å; E442-T445 VanDerWaalsContact CA-OG1 3.32Å; E442-T445 WeakPolarHBondContact CA-OG1 3.35Å; E442-T445 PolarHBondContact O-OG1 3.41Å; E442-K446 WeakPolarHBondContact O-CB 3.48Å; E442-K446 WeakPolarHBondContact O-CD 3.41Å; E442-K446 WeakPolarHBondContact O-CG 3.42Å; E442-K446 PolarHBondContact O-N 2.88Å |
| 443 | Q | 84.1 | Confident | 79.4 | Confident | 110 Ų | 110 | 116.3 Ų | 116.3 | 51% | 0.514 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.9 | -46.3 | 173.7 | -74.5 | 179.8 | -0.5 | 0 | 0 | 110.9 | E439 I440 T445 K446 Y447 | E439-Q443 WeakPolarHBondContact O-CB 3.17Å; E439-Q443 VanDerWaalsContact O-CG 3.31Å; E439-Q443 WeakPolarHBondContact O-CG 3.36Å; E439-Q443 PolarHBondContact O-N 2.77Å; I440-Q443 PolarHBondContact O-N 3.02Å; Q443-T445 VanDerWaalsContact C-N 3.32Å; Q443-T445 PolarHBondContact O-N 2.72Å; Q443-K446 PolarHBondContact O-N 3.4Å; Q443-Y447 HydrophobicContact CB-CE2 4.48Å; Q443-Y447 WeakPolarHBondContact O-CD2 3.26Å; Q443-Y447 PolarHBondContact O-N 2.91Å |
| 444 | R | 84.3 | Confident | 77 | Confident | 172 Ų | 172 | 119.6 Ų | 119.6 | 65% | 0.649 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -59.5 | -40.5 | 177.3 | -77.5 | 175.1 | 173.2 | -179.9 | -2.8 | 112.6 | I440 D441 R448 | I440-R444 WeakPolarHBondContact O-CB 3.23Å; I440-R444 VanDerWaalsContact O-CG 3.31Å; I440-R444 WeakPolarHBondContact O-CG 3.29Å; I440-R444 PolarHBondContact O-N 3.18Å; D441-R444 PolarHBondContact O-N 3.45Å; R444-R448 WeakPolarHBondContact O-CB 3.45Å; R444-R448 PolarHBondContact O-N 3.07Å |
| 445 | T | 78.6 | Confident | 76.2 | Confident | 88 Ų | 88 | 118 Ų | 118 | 54% | 0.54 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.8 | -38.8 | 176.7 | 48 | 0 | 0 | 0 | 0 | 112.4 | D441 E442 Q443 R448 S449 | D441-T445 WeakPolarHBondContact O-CG2 3.44Å; D441-T445 PolarHBondContact O-N 3.48Å; D441-T445 PolarHBondContact O-OG1 2.8Å; E442-T445 VanDerWaalsContact CA-OG1 3.32Å; E442-T445 WeakPolarHBondContact CA-OG1 3.35Å; E442-T445 PolarHBondContact O-OG1 3.41Å; Q443-T445 VanDerWaalsContact C-N 3.32Å; Q443-T445 PolarHBondContact O-N 2.72Å; T445-R448 PolarHBondContact O-N 2.84Å; T445-S449 PolarHBondContact O-N 3.16Å; T445-S449 PolarHBondContact O-OG 3.31Å |
| 446 | K | 77.8 | Confident | 75.3 | Confident | 124 Ų | 124 | 117.4 Ų | 117.4 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.6 | -41.3 | 172.7 | -73.6 | 168 | -174.4 | 169.4 | 0 | 112.8 | E442 Q443 S449 L450 | E442-K446 WeakPolarHBondContact O-CB 3.48Å; E442-K446 WeakPolarHBondContact O-CD 3.41Å; E442-K446 WeakPolarHBondContact O-CG 3.42Å; E442-K446 PolarHBondContact O-N 2.88Å; Q443-K446 PolarHBondContact O-N 3.4Å; K446-S449 PolarHBondContact O-OG 3.26Å; K446-L450 WeakPolarHBondContact O-CD1 3.34Å; K446-L450 WeakPolarHBondContact O-CG 3.46Å; K446-L450 PolarHBondContact O-N 2.92Å |
| 447 | Y | 68.8 | Low | 74.3 | Confident | 171 Ų | 171 | 119.9 Ų | 119.9 | 67% | 0.671 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69 | -34.4 | 175.1 | -77.3 | -69.3 | 0 | 0 | 0 | 112.3 | Q443 S451 | Q443-Y447 HydrophobicContact CB-CE2 4.48Å; Q443-Y447 WeakPolarHBondContact O-CD2 3.26Å; Q443-Y447 PolarHBondContact O-N 2.91Å; Y447-S451 PolarHBondContact O-N 2.89Å |
| 448 | R | 70.9 | Confident | 73.2 | Confident | 197 Ų | 197 | 119 Ų | 119 | 74% | 0.743 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.5 | -39.4 | 177.3 | -162.3 | 171.4 | -151.4 | -170.2 | 5 | 112.9 | R444 T445 S451 S452 | R444-R448 WeakPolarHBondContact O-CB 3.45Å; R444-R448 PolarHBondContact O-N 3.07Å; T445-R448 PolarHBondContact O-N 2.84Å; R448-S451 PolarHBondContact O-N 2.97Å; R448-S452 PolarHBondContact O-N 3.32Å; R448-S452 PolarHBondContact O-OG 3.19Å |
| 449 | S | 63.4 | Low | 72.1 | Confident | 64 Ų | 64 | 119.1 Ų | 119.1 | 45% | 0.448 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.3 | -35.4 | 176 | 56.4 | 0 | 0 | 0 | 0 | 113 | T445 K446 S451 S452 | T445-S449 PolarHBondContact O-N 3.16Å; T445-S449 PolarHBondContact O-OG 3.31Å; K446-S449 PolarHBondContact O-OG 3.26Å; S449-S451 VanDerWaalsContact C-N 3.35Å; S449-S452 PolarHBondContact O-N 3.13Å |
| 450 | L | 58.8 | Low | 70.9 | Confident | 126 Ų | 126 | 119.9 Ų | 119.9 | 66% | 0.66 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.9 | -35.7 | 173.4 | -73.8 | 164.6 | 0 | 0 | 0 | 112.5 | K446 S452 | K446-L450 WeakPolarHBondContact O-CD1 3.34Å; K446-L450 WeakPolarHBondContact O-CG 3.46Å; K446-L450 PolarHBondContact O-N 2.92Å; L450-S452 PolarHBondContact O-N 2.98Å |
| 451 | S | 56.2 | Low | 69.5 | Low | 92 Ų | 92 | 123.3 Ų | 123.3 | 64% | 0.643 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -10.4 | 175.1 | -175.6 | 0 | 0 | 0 | 0 | 114.2 | Y447 R448 S449 | Y447-S451 PolarHBondContact O-N 2.89Å; R448-S451 PolarHBondContact O-N 2.97Å; S449-S451 VanDerWaalsContact C-N 3.35Å |
| 452 | S | 56 | Low | 68.2 | Low | 85 Ų | 85 | 127.2 Ų | 127.2 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -5.6 | -177.4 | -49.7 | 0 | 0 | 0 | 0 | 113.1 | R448 S449 L450 | R448-S452 PolarHBondContact O-N 3.32Å; R448-S452 PolarHBondContact O-OG 3.19Å; S449-S452 PolarHBondContact O-N 3.13Å; L450-S452 PolarHBondContact O-N 2.98Å |
| 453 | H | 55.3 | Low | 66.5 | Low | 180 Ų | 180 | 131.2 Ų | 131.2 | 83% | 0.833 | 67% | 0.666 | S | S | * | * | trans | -114.9 | 14.8 | -179.4 | -80.7 | -62.7 | 0 | 0 | 0 | 113.4 | ||||
| 454 | S | 43.5 | Very low | 64.9 | Low | 165 Ų | 165 | 133.1 Ų | 133.1 | 100% | 1.154 | 68% | 0.679 | S | S | * | * | trans | -115.9 | 0 | 161.6 | -172.6 | 0 | 0 | 0 | 0 | 109 |
Retrieved 454 of 454 residues in 486.9 ms
(Link to these results)