| 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 | 39.5 | Very low | 41.6 | Very low | 232 Ų | 232 | 153.7 Ų | 153.7 | 100% | 1.143 | 83% | 0.827 | S | S | * | * | 0 | 82.2 | 0 | -65.2 | 163.6 | 114.6 | 0 | 0 | 106.4 | |||||
| 2 | N | 32.8 | Very low | 41.2 | Very low | 153 Ų | 153 | 155.4 Ų | 155.4 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | 70.7 | 94.5 | 107.3 | -68.6 | 13.4 | 0 | 0 | 0 | 110.7 | |||||
| 3 | S | 42.8 | Very low | 41.6 | Very low | 108 Ų | 108 | 153.2 Ų | 153.2 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | 63.9 | 104.9 | 82.5 | 72.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 4 | H | 41.9 | Very low | 42 | Very low | 173 Ų | 173 | 157.1 Ų | 157.1 | 80% | 0.801 | 82% | 0.819 | S | S | * | * | -163 | 133.1 | 127.5 | -156.7 | 61.6 | 0 | 0 | 0 | 110.8 | |||||
| 5 | V | 47.9 | Very low | 41.6 | Very low | 122 Ų | 122 | 158.9 Ų | 158.9 | 74% | 0.739 | 82% | 0.822 | S | S | * | * | trans | -94.1 | 127.3 | 176.1 | 171.1 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 6 | E | 49.3 | Very low | 41.6 | Very low | 184 Ų | 184 | 156.4 Ų | 156.4 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -118.6 | 142.3 | 156.5 | -84 | -139.3 | 138.3 | 0 | 0 | 111.4 | ||||
| 7 | R | 40.8 | Very low | 41.9 | Very low | 228 Ų | 228 | 154.6 Ų | 154.6 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -118.8 | 96.5 | -153.2 | -176.9 | -177.8 | -165 | -134.1 | 3.7 | 106.1 | S9 | R7-S9 PolarHBondContact O-N 3.04Š| ||
| 8 | S | 39.5 | Very low | 41.9 | Very low | 133 Ų | 133 | 152.9 Ų | 152.9 | 93% | 0.93 | 82% | 0.817 | S | S | * | * | trans | -89.7 | 88.3 | 166.9 | -100.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 9 | S | 45 | Very low | 42.1 | Very low | 84 Ų | 84 | 148.8 Ų | 148.8 | 59% | 0.587 | 81% | 0.806 | S | S | * | * | trans | -69.3 | 126.7 | 155.4 | 169.6 | 0 | 0 | 0 | 0 | 108.4 | R7 | R7-S9 PolarHBondContact O-N 3.04Š| ||
| 10 | F | 40.6 | Very low | 42.1 | Very low | 207 Ų | 207 | 149.1 Ų | 149.1 | 91% | 0.908 | 81% | 0.807 | S | S | * | * | trans | -174.6 | 123.3 | 137.1 | -102.3 | -72.4 | 0 | 0 | 0 | 110.3 | ||||
| 11 | G | 37.9 | Very low | 42.6 | Very low | 67 Ų | 67 | 147.6 Ų | 147.6 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | trans | 96.4 | 60.6 | 150.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | T13 | G11-T13 PolarHBondContact O-N 2.8Å; G11-T13 VanDerWaalsContact O-N 3.17Å | ||
| 12 | Q | 35.8 | Very low | 43.3 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -76.6 | 88.4 | 158.8 | -165 | 175.5 | 99.7 | 0 | 0 | 108.6 | R14 | Q12-R14 PolarHBondContact O-N 3.05Š| ||
| 13 | T | 46.3 | Very low | 44 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -82.9 | 101.4 | 166.3 | 45.2 | 0 | 0 | 0 | 0 | 108.9 | G11 E15 | G11-T13 PolarHBondContact O-N 2.8Å; G11-T13 VanDerWaalsContact O-N 3.17Å; T13-E15 PolarHBondContact O-N 3.33Å | ||
| 14 | R | 47.3 | Very low | 44.3 | Very low | 208 Ų | 208 | 148.6 Ų | 148.6 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -74.1 | 112.4 | 158 | -72.1 | 175.1 | 151.4 | -173.4 | -6.3 | 107.3 | Q12 | Q12-R14 PolarHBondContact O-N 3.05Š| ||
| 15 | E | 37.3 | Very low | 44.5 | Very low | 184 Ų | 184 | 149.4 Ų | 149.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -116.2 | 95.8 | 158.8 | -68.1 | -160.5 | 175.2 | 0 | 0 | 109 | T13 | T13-E15 PolarHBondContact O-N 3.33Š| ||
| 16 | T | 41.6 | Very low | 44.4 | Very low | 120 Ų | 120 | 149.8 Ų | 149.8 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -65 | 134.2 | 167.5 | 36.7 | 0 | 0 | 0 | 0 | 110.8 | S18 | T16-S18 PolarHBondContact O-N 3.27Š| ||
| 17 | T | 46.8 | Very low | 44.4 | Very low | 126 Ų | 126 | 144 Ų | 144 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 30.8 | 89.7 | 139.8 | -51.9 | 0 | 0 | 0 | 0 | 115.9 | A19 | T17-A19 HydrophobicContact CG2-CB 4.08Å; T17-A19 PolarHBondContact O-N 2.89Å | ||
| 18 | S | 41.2 | Very low | 45 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -76.6 | 82.5 | 157.3 | -169.8 | 0 | 0 | 0 | 0 | 108.7 | T16 | T16-S18 PolarHBondContact O-N 3.27Š| ||
| 19 | A | 45.6 | Very low | 45.6 | Very low | 74 Ų | 74 | 134.7 Ų | 134.7 | 61% | 0.612 | 77% | 0.773 | S | S | * | * | trans | -83.6 | 125.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | T17 S21 | T17-A19 HydrophobicContact CG2-CB 4.08Å; T17-A19 PolarHBondContact O-N 2.89Å; A19-S21 PolarHBondContact O-N 3.12Å | ||
| 20 | N | 41.6 | Very low | 45.6 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -41.2 | 105.6 | 174.1 | -71 | -41.5 | 0 | 0 | 0 | 111.3 | M22 | N20-M22 PolarHBondContact O-N 2.67Š| ||
| 21 | S | 53.6 | Low | 45.9 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -65.2 | 96.3 | 166.6 | 168.5 | 0 | 0 | 0 | 0 | 108.3 | A19 | A19-S21 PolarHBondContact O-N 3.12Š| ||
| 22 | M | 52.9 | Low | 46 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -135.1 | 28.6 | 170 | -142.1 | 179.8 | -160.7 | 0 | 0 | 112.6 | N20 | N20-M22 PolarHBondContact O-N 2.67Š| ||
| 23 | F | 48.7 | Very low | 46.6 | Very low | 208 Ų | 208 | 136.8 Ų | 136.8 | 91% | 0.912 | 78% | 0.78 | S | S | * | * | trans | -116 | 79.8 | 164.8 | -74.2 | -76.9 | 0 | 0 | 0 | 109.1 | F25 | F23-F25 PolarHBondContact O-N 3.07Š| ||
| 24 | T | 49.6 | Very low | 46.8 | Very low | 134 Ų | 134 | 141 Ų | 141 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -74.9 | 114.9 | 159.6 | 48.5 | 0 | 0 | 0 | 0 | 107.8 | D26 | T24-D26 PolarHBondContact O-N 3.19Š| ||
| 25 | F | 45.3 | Very low | 46.4 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | trans | -73.1 | 106.8 | 168.5 | 179.2 | -97.6 | 0 | 0 | 0 | 108.2 | F23 | F23-F25 PolarHBondContact O-N 3.07Š| ||
| 26 | D | 46.3 | Very low | 47.2 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -81.3 | 126.2 | 161.8 | 176.9 | 8.2 | 0 | 0 | 0 | 108.3 | T24 S28 | T24-D26 PolarHBondContact O-N 3.19Å; D26-S28 PolarHBondContact O-N 2.79Å | ||
| 27 | G | 49.8 | Very low | 47.6 | Very low | 62 Ų | 62 | 138.9 Ų | 138.9 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -74.6 | 62 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 28 | S | 52.9 | Low | 47.7 | Very low | 86 Ų | 86 | 139.2 Ų | 139.2 | 60% | 0.601 | 78% | 0.784 | S | S | * | * | trans | -117 | 90.1 | 160.3 | 58.7 | 0 | 0 | 0 | 0 | 109.3 | D26 R30 | D26-S28 PolarHBondContact O-N 2.79Å; S28-R30 VanDerWaalsContact C-N 3.35Å; S28-R30 PolarHBondContact O-N 3.15Å | ||
| 29 | G | 50.9 | Low | 48.5 | Very low | 80 Ų | 80 | 140.1 Ų | 140.1 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -58.8 | 85.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 30 | R | 45.1 | Very low | 49 | Very low | 234 Ų | 234 | 143.4 Ų | 143.4 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -132.7 | 87.8 | 166 | -71.4 | -171.8 | 178.3 | -135.6 | 0.5 | 110.1 | S28 S32 | S28-R30 VanDerWaalsContact C-N 3.35Å; S28-R30 PolarHBondContact O-N 3.15Å; R30-S32 PolarHBondContact O-N 3.32Å; R30-S32 VanDerWaalsContact O-N 3.07Å | ||
| 31 | T | 48.2 | Very low | 49.8 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -69.2 | 96.3 | 157.3 | 56.9 | 0 | 0 | 0 | 0 | 107.7 | S33 | T31-S33 VanDerWaalsContact C-N 3.31Å; T31-S33 PolarHBondContact O-N 3.08Å | ||
| 32 | S | 39.3 | Very low | 49.8 | Very low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | trans | -78.3 | 88.5 | 167.8 | -170.3 | 0 | 0 | 0 | 0 | 108.3 | R30 R34 | R30-S32 PolarHBondContact O-N 3.32Å; R30-S32 VanDerWaalsContact O-N 3.07Å; S32-R34 PolarHBondContact O-N 3.48Å | ||
| 33 | S | 47.3 | Very low | 49.8 | Very low | 95 Ų | 95 | 138.8 Ų | 138.8 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | -64.7 | 107.4 | 164.8 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | T31 | T31-S33 VanDerWaalsContact C-N 3.31Å; T31-S33 PolarHBondContact O-N 3.08Å | ||
| 34 | R | 52 | Low | 49.8 | Very low | 216 Ų | 216 | 138.7 Ų | 138.7 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | trans | -126.2 | 58 | 166.5 | -166.7 | -175.8 | -76.8 | -170 | -4.2 | 109.6 | S32 | S32-R34 PolarHBondContact O-N 3.48Š| ||
| 35 | Y | 37.7 | Very low | 49.9 | Very low | 218 Ų | 218 | 137.6 Ų | 137.6 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -132.5 | 64.7 | 159.7 | -64.4 | -84.6 | 0 | 0 | 0 | 108.1 | ||||
| 36 | E | 55.4 | Low | 50.1 | Low | 182 Ų | 182 | 133.8 Ų | 133.8 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | -108.5 | 108.7 | 163.3 | -80.7 | -71.3 | 165.1 | 0 | 0 | 106 | ||||
| 37 | G | 49.3 | Very low | 50.5 | Low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | trans | 152.8 | 48.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 38 | V | 48.1 | Very low | 50.1 | Low | 133 Ų | 133 | 136.5 Ų | 136.5 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | -115.1 | 105.5 | 165.9 | -165.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 39 | N | 58.3 | Low | 49.8 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -84.1 | 150.8 | 166.7 | -118.6 | -42.5 | 0 | 0 | 0 | 108.9 | N41 G42 | N39-N41 PolarHBondContact O-N 3.34Å; N39-G42 PolarHBondContact O-N 3.48Å | ||
| 40 | V | 56.5 | Low | 49.5 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -10 | -170.5 | 176.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 41 | N | 58.6 | Low | 49.7 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 9.1 | 179.5 | -63.9 | -14.2 | 0 | 0 | 0 | 115.4 | N39 I43 | N39-N41 PolarHBondContact O-N 3.34Å; N41-I43 VanDerWaalsContact C-N 3.28Å; N41-I43 PolarHBondContact O-N 2.89Å |
| 42 | G | 53.8 | Low | 49.6 | Very low | 60 Ų | 60 | 134.1 Ų | 134.1 | 62% | 0.619 | 77% | 0.772 | S | S | * | * | trans | 63.3 | 17.9 | 163 | 0 | 0 | 0 | 0 | 0 | 117.9 | N39 | N39-G42 PolarHBondContact O-N 3.48Š| ||
| 43 | I | 53.2 | Low | 49.8 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | -97 | 117.4 | 176 | -57.6 | 178 | 0 | 0 | 0 | 109.5 | N41 S45 | N41-I43 VanDerWaalsContact C-N 3.28Å; N41-I43 PolarHBondContact O-N 2.89Å; I43-S45 PolarHBondContact O-N 3.28Å | ||
| 44 | Y | 47.9 | Very low | 49.7 | Very low | 206 Ų | 206 | 136.2 Ų | 136.2 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -72.9 | 110.2 | 168.9 | -83.3 | -90.5 | 0 | 0 | 0 | 109.8 | ||||
| 45 | S | 52.8 | Low | 49.2 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -95.3 | 111.1 | 168.3 | -79.4 | 0 | 0 | 0 | 0 | 109.9 | I43 | I43-S45 PolarHBondContact O-N 3.28Š| ||
| 46 | C | 48.8 | Very low | 49.5 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 126.2 | 169.3 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | V48 | C46-V48 PolarHBondContact O-N 3.48Š|
| 47 | P | 53.7 | Low | 49 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 128.2 | 172.7 | 27.4 | -30.4 | 0 | 0 | 0 | 110.3 | ||
| 48 | V | 43.2 | Very low | 48.8 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -81 | 125.5 | 172.5 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | C46 T50 | C46-V48 PolarHBondContact O-N 3.48Å; V48-T50 PolarHBondContact O-N 2.92Å |
| 49 | P | 46.3 | Very low | 48.5 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -71.8 | 115.8 | 169.5 | 26.1 | -29.1 | 0 | 0 | 0 | 109.7 | T51 | P49-T51 PolarHBondContact O-N 3.13Å; P49-T51 VanDerWaalsContact O-N 3.15Å | ||
| 50 | T | 44.9 | Very low | 47.8 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 85% | 0.847 | 76% | 0.763 | S | S | * | * | trans | -72.3 | 96.6 | 167.8 | 46.4 | 0 | 0 | 0 | 0 | 109.2 | V48 S52 | V48-T50 PolarHBondContact O-N 2.92Å; T50-S52 PolarHBondContact O-N 3.07Å | ||
| 51 | T | 49.2 | Very low | 47 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | -82.7 | 101.9 | 164.5 | 56.6 | 0 | 0 | 0 | 0 | 108.6 | P49 A53 | P49-T51 PolarHBondContact O-N 3.13Å; P49-T51 VanDerWaalsContact O-N 3.15Å; T51-A53 PolarHBondContact O-N 3.43Å | ||
| 52 | S | 45.6 | Very low | 46.5 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -55 | 121.6 | 159.2 | 177.2 | 0 | 0 | 0 | 0 | 109.2 | T50 | T50-S52 PolarHBondContact O-N 3.07Š| ||
| 53 | A | 43.9 | Very low | 45.8 | Very low | 90 Ų | 90 | 145.9 Ų | 145.9 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -125.4 | 101.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | T51 R55 | T51-A53 PolarHBondContact O-N 3.43Å; A53-R55 PolarHBondContact O-N 3.5Å | ||
| 54 | H | 43.6 | Very low | 45 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | -56.9 | 114.9 | 164.7 | -172.3 | -100.2 | 0 | 0 | 0 | 109.3 | E56 | H54-E56 IonicContact CE1-OE1 3.22Å; H54-E56 PolarHBondContact CE1-OE1 3.44Å; H54-E56 VanDerWaalsContact CE1-OE1 3.22Å; H54-E56 IonicContact NE2-OE1 3.93Å | ||
| 55 | R | 42.2 | Very low | 45 | Very low | 209 Ų | 209 | 138.4 Ų | 138.4 | 79% | 0.789 | 78% | 0.783 | S | S | * | * | trans | -102.1 | 93.9 | 176.4 | -176 | -179.8 | -176.4 | -95.5 | 2.6 | 108.4 | A53 | A53-R55 PolarHBondContact O-N 3.5Š| ||
| 56 | E | 44.3 | Very low | 44.8 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 67% | 0.673 | 79% | 0.786 | S | S | * | * | trans | -69.3 | 129.6 | 163.8 | -80 | -79.9 | 142.8 | 0 | 0 | 109 | H54 | H54-E56 IonicContact CE1-OE1 3.22Å; H54-E56 PolarHBondContact CE1-OE1 3.44Å; H54-E56 VanDerWaalsContact CE1-OE1 3.22Å; H54-E56 IonicContact NE2-OE1 3.93Å | ||
| 57 | E | 46 | Very low | 44.8 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | trans | -77.4 | 123.9 | 175 | -58.3 | -164.5 | 147.2 | 0 | 0 | 109.5 | ||||
| 58 | I | 43.8 | Very low | 45.2 | Very low | 152 Ų | 152 | 141.2 Ų | 141.2 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | -114.8 | 104.8 | 158.8 | -52.4 | 179.1 | 0 | 0 | 0 | 107 | T60 | I58-T60 HydrophobicContact CG2-CG2 4.3Š| ||
| 59 | K | 43.1 | Very low | 45.9 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | trans | -96.5 | 103 | 174.8 | -156 | 178.4 | -167.7 | -177.5 | 0 | 106.6 | ||||
| 60 | T | 42.4 | Very low | 46.5 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -137 | 111 | 168.6 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | I58 | I58-T60 HydrophobicContact CG2-CG2 4.3Š| ||
| 61 | S | 40.5 | Very low | 46.9 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | trans | 16.7 | 135.5 | 156.2 | -156.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 62 | L | 47.1 | Very low | 47 | Very low | 164 Ų | 164 | 138 Ų | 138 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -46.5 | 148.1 | 161.1 | -68.5 | 148.9 | 0 | 0 | 0 | 115.4 | ||||
| 63 | R | 40.3 | Very low | 46.8 | Very low | 253 Ų | 253 | 140.7 Ų | 140.7 | 96% | 0.955 | 78% | 0.783 | S | S | * | * | trans | 122.7 | 121.9 | 137.5 | -164.9 | 179.7 | -71.5 | -101.6 | 2.8 | 114.1 | ||||
| 64 | G | 34.8 | Very low | 47 | Very low | 66 Ų | 66 | 143.5 Ų | 143.5 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | 161.4 | 86.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 65 | S | 48 | Very low | 47.1 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -63.4 | 128.6 | 159.4 | -72.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 66 | T | 48.8 | Very low | 47.7 | Very low | 135 Ų | 135 | 139.7 Ų | 139.7 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | trans | -145.3 | 125.8 | 157.4 | 30.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 67 | D | 50.1 | Low | 48 | Very low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 151.8 | 178.8 | -63.2 | -59.4 | 0 | 0 | 0 | 112.6 | ||
| 68 | P | 61.7 | Low | 47.7 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 145.8 | 172.2 | 31.1 | -32.7 | 0 | 0 | 0 | 111.4 | ||
| 69 | P | 57.2 | Low | 47.9 | Very low | 117 Ų | 117 | 138 Ų | 138 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 149.3 | 177.7 | 31.2 | -33.5 | 0 | 0 | 0 | 111.5 | ||
| 70 | P | 58.1 | Low | 47.9 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 138.9 | 177.2 | 29.6 | -31.7 | 0 | 0 | 0 | 111 | ||
| 71 | G | 54.1 | Low | 47.8 | Very low | 57 Ų | 57 | 132 Ų | 132 | 59% | 0.588 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 169.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q73 | G71-Q73 PolarHBondContact O-N 3.07Š|
| 72 | P | 51 | Low | 48.1 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 125.5 | -173.5 | 25.1 | -31.7 | 0 | 0 | 0 | 112.1 | I74 | P72-I74 PolarHBondContact O-N 3.25Š|
| 73 | Q | 41.8 | Very low | 48.2 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 121 | 175.5 | -62.6 | -76.5 | 22.2 | 0 | 0 | 110 | G71 S75 | G71-Q73 PolarHBondContact O-N 3.07Å; Q73-S75 PolarHBondContact O-N 2.87Å |
| 74 | I | 47.6 | Very low | 48.2 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -84.6 | 108.5 | 168.2 | -61.1 | 176 | 0 | 0 | 0 | 107.2 | P72 M76 | P72-I74 PolarHBondContact O-N 3.25Å; I74-M76 PolarHBondContact O-N 3.46Å; I74-M76 VanDerWaalsContact O-N 3.17Å | ||
| 75 | S | 46.4 | Very low | 48.4 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -67 | 109.5 | 172.9 | -59.8 | 0 | 0 | 0 | 0 | 110.2 | Q73 L77 | Q73-S75 PolarHBondContact O-N 2.87Å; S75-L77 PolarHBondContact O-N 3.36Å | ||
| 76 | M | 54.8 | Low | 47.9 | Very low | 175 Ų | 175 | 130.8 Ų | 130.8 | 86% | 0.862 | 80% | 0.8 | S | S | * | * | trans | -77.6 | 106.9 | 169.9 | -64.6 | -76.2 | -90.1 | 0 | 0 | 108.3 | I74 S78 | I74-M76 PolarHBondContact O-N 3.46Å; I74-M76 VanDerWaalsContact O-N 3.17Å; M76-S78 PolarHBondContact O-N 3.21Å | ||
| 77 | L | 51.5 | Low | 47.3 | Very low | 171 Ų | 171 | 128 Ų | 128 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -75.3 | 111 | 168.7 | -75 | 161.9 | 0 | 0 | 0 | 108.4 | S75 | S75-L77 PolarHBondContact O-N 3.36Š| ||
| 78 | S | 39.5 | Very low | 47 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -71.8 | 127.9 | 170.6 | -155.6 | 0 | 0 | 0 | 0 | 109.2 | M76 | M76-S78 PolarHBondContact O-N 3.21Š| ||
| 79 | S | 46.7 | Very low | 45.6 | Very low | 122 Ų | 122 | 130.4 Ų | 130.4 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -135.1 | 100.5 | 156.6 | -69.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 80 | G | 42.8 | Very low | 44.5 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -74.7 | 145.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 81 | S | 41.3 | Very low | 43.4 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -157.5 | 123.6 | 131.6 | -160.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 82 | L | 45.9 | Very low | 42.5 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | trans | -93 | 125.8 | 174.4 | 167.3 | 114.5 | 0 | 0 | 0 | 107.1 | ||||
| 83 | L | 50 | Low | 41.7 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -145.5 | 124.1 | 145.1 | -70.9 | 179.1 | 0 | 0 | 0 | 109.2 | ||||
| 84 | E | 39.6 | Very low | 41.7 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -82.6 | 144.2 | 169.9 | -176.2 | -169.1 | 151.4 | 0 | 0 | 109.1 | ||||
| 85 | A | 38.8 | Very low | 41.1 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 66% | 0.661 | 81% | 0.813 | S | S | * | * | 162.5 | 124.2 | 128.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 86 | S | 39.1 | Very low | 40.8 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | trans | 66 | 138.9 | 135 | 55.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 87 | G | 34.7 | Very low | 40 | Very low | 77 Ų | 77 | 142.1 Ų | 142.1 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | 131.6 | 108 | 136.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 88 | L | 43.8 | Very low | 40.1 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -53.6 | 154.3 | 154.9 | -75.7 | 137.6 | 0 | 0 | 0 | 110.8 | ||||
| 89 | E | 34 | Very low | 40 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | 147.2 | 160.4 | 124.8 | -152.5 | 153.7 | 161.4 | 0 | 0 | 114.9 | |||||
| 90 | Y | 33.5 | Very low | 39.4 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 75% | 0.749 | 80% | 0.803 | S | S | * | * | trans | -81.2 | 155.7 | -144.7 | -40 | -71.9 | 0 | 0 | 0 | 118.2 | ||||
| 91 | G | 34.6 | Very low | 39 | Very low | 73 Ų | 73 | 145.5 Ų | 145.5 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | 112.4 | 133.3 | 127.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 92 | R | 34.9 | Very low | 39 | Very low | 253 Ų | 253 | 146.5 Ų | 146.5 | 96% | 0.955 | 80% | 0.804 | S | S | * | * | trans | 62.6 | 126.2 | 157.8 | -72.3 | -167.5 | -101.8 | -117.5 | 1.3 | 117.6 | ||||
| 93 | G | 35.5 | Very low | 38.7 | Very low | 69 Ų | 69 | 148.6 Ų | 148.6 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | cis | 108.6 | 104.6 | 25.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 94 | T | 40 | Very low | 37.8 | Very low | 143 Ų | 143 | 152.7 Ų | 152.7 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -159.8 | 109.1 | 150 | 50.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 95 | D | 36.5 | Very low | 37.4 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -47.3 | 142.2 | 150.3 | -100.8 | -67.5 | 0 | 0 | 0 | 111.8 | ||||
| 96 | R | 40 | Very low | 36.9 | Very low | 246 Ų | 246 | 147.2 Ų | 147.2 | 93% | 0.928 | 81% | 0.809 | S | S | * | * | trans | -163.4 | 102 | 152.2 | -112.9 | -175.9 | -168.7 | -161.2 | 4.1 | 112.8 | ||||
| 97 | D | 36.5 | Very low | 36.5 | Very low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | -142.2 | 154.5 | 134.7 | -119.9 | -40.1 | 0 | 0 | 0 | 104.6 | ||||
| 98 | P | 55.3 | Low | 36.6 | Very low | 108 Ų | 108 | 156.7 Ų | 156.7 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | cis | -153.4 | 168.2 | 47.8 | 38.6 | -14.7 | 0 | 0 | 0 | 118.6 | ||||
| 99 | E | 36.5 | Very low | 36 | Very low | 148 Ų | 148 | 154 Ų | 154 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | trans | 76.8 | 127.7 | 135.1 | -74.1 | -86 | 137.4 | 0 | 0 | 123.8 | ||||
| 100 | R | 34.8 | Very low | 36 | Very low | 223 Ų | 223 | 154.7 Ų | 154.7 | 84% | 0.842 | 81% | 0.812 | S | S | * | * | 118.3 | 127.5 | 122.3 | -146.9 | 174.2 | -73 | -144.3 | 1.6 | 117.3 | |||||
| 101 | G | 33.4 | Very low | 36 | Very low | 71 Ų | 71 | 153.9 Ų | 153.9 | 73% | 0.732 | 82% | 0.815 | S | S | * | * | trans | 175.3 | 58.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 102 | V | 41.1 | Very low | 35.9 | Very low | 142 Ų | 142 | 153.6 Ų | 153.6 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | 55.4 | 132.9 | 138.5 | -171.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 103 | K | 39.3 | Very low | 36 | Very low | 193 Ų | 193 | 150 Ų | 150 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -55.2 | 150.7 | 169.5 | -58 | 168.5 | 172.5 | 178.5 | 0 | 116.7 | ||||
| 104 | R | 32.5 | Very low | 36.2 | Very low | 256 Ų | 256 | 155.6 Ų | 155.6 | 97% | 0.966 | 82% | 0.819 | S | S | * | * | trans | 177.9 | 138.9 | 136.5 | -101.1 | 171.2 | -175.4 | -114.2 | 3.2 | 107.2 | ||||
| 105 | G | 29.9 | Very low | 35.8 | Very low | 76 Ų | 76 | 156.2 Ų | 156.2 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | cis | 119.8 | 98.9 | 16.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 106 | G | 28.6 | Very low | 35.6 | Very low | 68 Ų | 68 | 151.9 Ų | 151.9 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | trans | 86.1 | 129.8 | 138.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 107 | N | 30.8 | Very low | 35.5 | Very low | 163 Ų | 163 | 149.4 Ų | 149.4 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | trans | 80.9 | 123.5 | 141.9 | -53.2 | -8.8 | 0 | 0 | 0 | 117.9 | ||||
| 108 | R | 37.1 | Very low | 35.5 | Very low | 239 Ų | 239 | 153.8 Ų | 153.8 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | cis | 70.7 | 104.9 | 47.5 | -158.5 | -170.2 | -73.3 | -139 | 3 | 113.2 | ||||
| 109 | S | 31 | Very low | 34.5 | Very low | 104 Ų | 104 | 152.1 Ų | 152.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | 171.6 | 126.9 | 142.6 | -78.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 110 | Q | 34.5 | Very low | 34.8 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | 63.5 | 130.1 | 89.5 | -116 | 179 | -23.7 | 0 | 0 | 111.7 | |||||
| 111 | E | 32.8 | Very low | 34.8 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | cis | -151.6 | 159.8 | 26.6 | -69.5 | 165.5 | 143.4 | 0 | 0 | 106.7 | ||||
| 112 | G | 33.6 | Very low | 35 | Very low | 67 Ų | 67 | 151.1 Ų | 151.1 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | 90.5 | 99 | 56.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 113 | D | 35.8 | Very low | 35.2 | Very low | 177 Ų | 177 | 153.8 Ų | 153.8 | 95% | 0.947 | 81% | 0.805 | S | S | * | * | trans | -165.2 | 140.7 | 150.1 | -103.2 | -24.4 | 0 | 0 | 0 | 113.5 | ||||
| 114 | Q | 40.7 | Very low | 35 | Very low | 186 Ų | 186 | 155.9 Ų | 155.9 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -99.9 | 155.3 | -176.6 | -59.8 | 174.8 | 5.2 | 0 | 0 | 110.8 | ||||
| 115 | N | 30.7 | Very low | 35.5 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | 134.2 | 136.3 | 124.3 | -156.1 | 17 | 0 | 0 | 0 | 117.4 | |||||
| 116 | A | 33.3 | Very low | 36.6 | Very low | 68 Ų | 68 | 151.9 Ų | 151.9 | 56% | 0.562 | 79% | 0.793 | S | S | * | * | trans | 63.6 | 108.3 | 146.3 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 117 | E | 37.5 | Very low | 37 | Very low | 194 Ų | 194 | 155 Ų | 155 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | 39.1 | 121.2 | 121.8 | -67.6 | -173 | 111.8 | 0 | 0 | 120.7 | |||||
| 118 | R | 35.7 | Very low | 37.8 | Very low | 243 Ų | 243 | 155.2 Ų | 155.2 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | -165.4 | 110 | 119.8 | -161.2 | 159.5 | 179.1 | 177.9 | -1.1 | 114 | |||||
| 119 | A | 35.7 | Very low | 38.1 | Very low | 73 Ų | 73 | 151.4 Ų | 151.4 | 60% | 0.603 | 78% | 0.784 | S | S | * | * | trans | 40.3 | 124.7 | 136.5 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 120 | Q | 41.4 | Very low | 38.8 | Very low | 183 Ų | 183 | 153.7 Ų | 153.7 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | 71.4 | 143.3 | 139.5 | -58.1 | 169.5 | 1.9 | 0 | 0 | 116.2 | ||||
| 121 | T | 35 | Very low | 39.3 | Very low | 114 Ų | 114 | 157.6 Ų | 157.6 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | cis | -166.3 | 146.9 | 35.3 | 110.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 122 | V | 38.7 | Very low | 39.8 | Very low | 123 Ų | 123 | 155.9 Ų | 155.9 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | trans | 53.1 | 111.3 | 142.2 | -170 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 123 | K | 44.9 | Very low | 40.2 | Very low | 198 Ų | 198 | 160.3 Ų | 160.3 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | -156.2 | 120 | 76.7 | -78.6 | 176.9 | -176.3 | 177.7 | 0 | 111 | |||||
| 124 | R | 35.3 | Very low | 40.7 | Very low | 237 Ų | 237 | 155.9 Ų | 155.9 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | trans | -75 | 115.7 | 169.3 | 178.1 | 175.9 | 157.1 | 134.8 | -4.2 | 108.5 | ||||
| 125 | N | 43.2 | Very low | 41.6 | Very low | 150 Ų | 150 | 155.3 Ų | 155.3 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -110.6 | 112.2 | 166.7 | -154.4 | 36.5 | 0 | 0 | 0 | 108 | ||||
| 126 | P | 52.8 | Low | 42.9 | Very low | 98 Ų | 98 | 156.1 Ų | 156.1 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -92.4 | 105.5 | 174.3 | 33 | -23.1 | 0 | 0 | 0 | 107.7 | ||||
| 127 | N | 36.6 | Very low | 44.3 | Very low | 133 Ų | 133 | 163.1 Ų | 163.1 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -132.6 | 93.2 | 158.3 | -149 | 17.3 | 0 | 0 | 0 | 109.3 | H129 | N127-H129 PolarHBondContact O-N 3.24Š| ||
| 128 | M | 47.7 | Very low | 46 | Very low | 169 Ų | 169 | 158.8 Ų | 158.8 | 83% | 0.833 | 77% | 0.77 | S | S | * | * | trans | -70.8 | 101.9 | 167.3 | -77.2 | -87.4 | 97 | 0 | 0 | 108.7 | ||||
| 129 | H | 42.8 | Very low | 48.1 | Very low | 159 Ų | 159 | 154.6 Ų | 154.6 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | trans | -145.1 | 112.1 | 153.4 | -79.2 | 94.7 | 0 | 0 | 0 | 110.5 | N127 | N127-H129 PolarHBondContact O-N 3.24Š| ||
| 130 | Q | 45.6 | Very low | 50.4 | Low | 151 Ų | 151 | 154.9 Ų | 154.9 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 69.1 | 90.9 | 152.4 | -114.5 | 159.5 | 40.4 | 0 | 0 | 117.7 | Q132 | Q130-Q132 HydrophobicContact CB-CG 4.14Å; Q130-Q132 HydrophobicContact CG-CG 3.94Å; Q130-Q132 PolarHBondContact O-N 3.34Å | ||
| 131 | R | 44.8 | Very low | 52.5 | Low | 255 Ų | 255 | 152.5 Ų | 152.5 | 96% | 0.962 | 74% | 0.735 | S | S | * | * | trans | -60.4 | 89.8 | 140.8 | -72.4 | -169.2 | 176.4 | -107.9 | 1 | 107.5 | D133 | R131-D133 PolarHBondContact O-N 3.43Š| ||
| 132 | Q | 43.7 | Very low | 54.7 | Low | 140 Ų | 140 | 152.3 Ų | 152.3 | 65% | 0.654 | 74% | 0.736 | S | S | * | * | trans | -78.7 | 105.1 | 158.5 | -69.8 | -171.8 | 0.7 | 0 | 0 | 105.8 | Q130 S134 | Q130-Q132 HydrophobicContact CB-CG 4.14Å; Q130-Q132 HydrophobicContact CG-CG 3.94Å; Q130-Q132 PolarHBondContact O-N 3.34Å; Q132-S134 PolarHBondContact O-N 3.07Å | ||
| 133 | D | 43.1 | Very low | 57 | Low | 159 Ų | 159 | 156 Ų | 156 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | trans | -58.7 | 86.6 | 157.6 | -138.2 | -10 | 0 | 0 | 0 | 105.5 | R131 E135 | R131-D133 PolarHBondContact O-N 3.43Å; D133-E135 PolarHBondContact O-N 2.76Å | ||
| 134 | S | 46.4 | Very low | 58.8 | Low | 85 Ų | 85 | 148.4 Ų | 148.4 | 59% | 0.594 | 70% | 0.704 | S | S | * | * | trans | -74.9 | 88.5 | 175.5 | 43.3 | 0 | 0 | 0 | 0 | 104.9 | Q132 Q136 | Q132-S134 PolarHBondContact O-N 3.07Å; S134-Q136 PolarHBondContact O-N 2.86Å | ||
| 135 | E | 59.7 | Low | 60.7 | Low | 173 Ų | 173 | 139.9 Ų | 139.9 | 81% | 0.808 | 68% | 0.679 | S | S | * | * | trans | -53 | 91.2 | 160.5 | -76.3 | -177.7 | 147.7 | 0 | 0 | 106.6 | D133 R137 | D133-E135 PolarHBondContact O-N 2.76Å; E135-R137 PolarHBondContact O-N 3.31Å | ||
| 136 | Q | 57.4 | Low | 61.8 | Low | 173 Ų | 173 | 141.6 Ų | 141.6 | 81% | 0.808 | 68% | 0.679 | S | S | * | * | trans | -65.1 | 93.3 | 176.4 | -72.8 | -169.8 | 12.9 | 0 | 0 | 106.3 | S134 P138 | S134-Q136 PolarHBondContact O-N 2.86Å; Q136-P138 WeakPolarHBondContact O-CD 3.21Å; Q136-P138 VanDerWaalsContact O-N 3.11Å | ||
| 137 | R | 62.8 | Low | 62.2 | Low | 215 Ų | 215 | 142.3 Ų | 142.3 | 81% | 0.811 | 68% | 0.677 | S | S | * | * | trans | -54.4 | 120.9 | 167.4 | -69.8 | -170.7 | 174.8 | -152.3 | -1.3 | 106.3 | E135 Q139 | E135-R137 PolarHBondContact O-N 3.31Å; R137-Q139 PolarHBondContact O-N 3.43Å | ||
| 138 | P | 72.6 | Confident | 63.2 | Low | 104 Ų | 104 | 140.5 Ų | 140.5 | 68% | 0.675 | 66% | 0.664 | S | S | * | * | trans | -56.9 | 130 | -176.7 | 21.1 | -31.4 | 0 | 0 | 0 | 108.7 | Q136 I140 | Q136-P138 WeakPolarHBondContact O-CD 3.21Å; Q136-P138 VanDerWaalsContact O-N 3.11Å; P138-I140 PolarHBondContact O-N 3.5Å | ||
| 139 | Q | 79.1 | Confident | 63.7 | Low | 154 Ų | 154 | 140.3 Ų | 140.3 | 72% | 0.72 | 66% | 0.663 | S | S | * | * | trans | -66.6 | 96.6 | 177.3 | -69.3 | -68.2 | -19.9 | 0 | 0 | 108.8 | R137 Y141 M144 | R137-Q139 PolarHBondContact O-N 3.43Å; Q139-Y141 PolarHBondContact O-N 3.09Å; Q139-M144 WeakPolarHBondContact O-CE 3.33Å | ||
| 140 | I | 83.9 | Confident | 64.2 | Low | 79 Ų | 79 | 135 Ų | 135 | 41% | 0.405 | 64% | 0.644 | S | S | . | * | trans | -83.5 | 100.2 | 178.5 | -62.1 | 162.6 | 0 | 0 | 0 | 108.5 | P138 M144 T145 H148 | P138-I140 PolarHBondContact O-N 3.5Å; I140-M144 HydrophobicContact CG2-CB 4.03Å; I140-T145 HydrophobicContact CG2-CG2 4.12Å; I140-H148 HydrophobicContact CD1-CB 3.64Å; I140-H148 HydrophobicContact CG1-CB 4.23Å; I140-H148 HydrophobicContact CG2-CB 4.42Å | ||
| 141 | Y | 85.6 | Confident | 64.5 | Low | 134 Ų | 134 | 136.4 Ų | 136.4 | 53% | 0.525 | 65% | 0.65 | S | S | . | * | trans | -61.8 | 150.9 | 172.1 | -60.8 | -66.3 | 0 | 0 | 0 | 111.6 | Q139 W143 M144 | Q139-Y141 PolarHBondContact O-N 3.09Å; Y141-W143 VanDerWaalsContact CB-CD1 3.5Å; Y141-W143 VanDerWaalsContact CB-NE1 3.27Å; Y141-W143 HydrophobicContact CD2-CZ2 4.36Å; Y141-W143 AromaticContact CD2-NE1 3.91Å; Y141-W143 AromaticContact CG-NE1 3.79Å; Y141-W143 PolarHBondContact O-N 3.22Å; Y141-M144 HydrophobicContact CD2-CE 3.35Å; Y141-M144 HydrophobicContact CD2-SD 4.41Å; Y141-M144 HydrophobicContact CE2-CE 4.16Å; Y141-M144 HydrophobicContact CG-CE 4.05Å; Y141-M144 VanDerWaalsContact N-CE 3.35Å; Y141-M144 WeakPolarHBondContact O-CA 3.4Å; Y141-M144 WeakPolarHBondContact O-CB 3.36Å; Y141-M144 PolarHBondContact O-N 3.03Å | ||
| 142 | P | 83 | Confident | 64.8 | Low | 110 Ų | 110 | 129.3 Ų | 129.3 | 71% | 0.714 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -52.2 | -32.4 | -177.1 | -30.3 | 36.2 | 0 | 0 | 0 | 115 | M144 T145 | P142-M144 VanDerWaalsContact C-N 3.33Å; P142-M144 PolarHBondContact O-N 3.41Å; P142-T145 WeakPolarHBondContact O-CG2 3.33Å; P142-T145 PolarHBondContact O-OG1 3.41Å |
| 143 | W | 85.8 | Confident | 64.8 | Low | 201 Ų | 201 | 126.9 Ų | 126.9 | 76% | 0.761 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -73.6 | -19.3 | 177 | 65.1 | -93.6 | 0 | 0 | 0 | 114.2 | Y141 | Y141-W143 VanDerWaalsContact CB-CD1 3.5Å; Y141-W143 VanDerWaalsContact CB-NE1 3.27Å; Y141-W143 HydrophobicContact CD2-CZ2 4.36Å; Y141-W143 AromaticContact CD2-NE1 3.91Å; Y141-W143 AromaticContact CG-NE1 3.79Å; Y141-W143 PolarHBondContact O-N 3.22Å |
| 144 | M | 83.1 | Confident | 65.1 | Low | 37 Ų | 37 | 127.7 Ų | 127.7 | 18% | 0.182 | 64% | 0.643 | C | S | . | * | G | 310 helix | trans | -94 | -7.5 | 179.9 | -66 | -165 | -58.1 | 0 | 0 | 114.1 | Q139 I140 Y141 P142 K146 L147 H148 | Q139-M144 WeakPolarHBondContact O-CE 3.33Å; I140-M144 HydrophobicContact CG2-CB 4.03Å; Y141-M144 HydrophobicContact CD2-CE 3.35Å; Y141-M144 HydrophobicContact CD2-SD 4.41Å; Y141-M144 HydrophobicContact CE2-CE 4.16Å; Y141-M144 HydrophobicContact CG-CE 4.05Å; Y141-M144 VanDerWaalsContact N-CE 3.35Å; Y141-M144 WeakPolarHBondContact O-CA 3.4Å; Y141-M144 WeakPolarHBondContact O-CB 3.36Å; Y141-M144 PolarHBondContact O-N 3.03Å; P142-M144 VanDerWaalsContact C-N 3.33Å; P142-M144 PolarHBondContact O-N 3.41Å; M144-K146 VanDerWaalsContact C-N 3.26Å; M144-K146 PolarHBondContact O-N 3.4Å; M144-L147 PolarHBondContact O-N 3.1Å; M144-H148 PolarHBondContact O-ND1 3.03Å |
| 145 | T | 75.5 | Confident | 65.5 | Low | 58 Ų | 58 | 128.9 Ų | 128.9 | 36% | 0.356 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -57.8 | -34.8 | -171.8 | 50.7 | 0 | 0 | 0 | 0 | 113.8 | I140 P142 L147 H148 M149 | I140-T145 HydrophobicContact CG2-CG2 4.12Å; P142-T145 WeakPolarHBondContact O-CG2 3.33Å; P142-T145 PolarHBondContact O-OG1 3.41Å; T145-L147 PolarHBondContact O-N 3.39Å; T145-H148 PolarHBondContact O-N 3.49Å; T145-M149 PolarHBondContact O-N 3.03Å |
| 146 | K | 65.6 | Low | 65.4 | Low | 187 Ų | 187 | 129 Ų | 129 | 81% | 0.813 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.6 | -14.1 | -173.4 | -150.9 | 170.8 | -171.3 | 168.4 | 0 | 114.7 | M144 | M144-K146 VanDerWaalsContact C-N 3.26Å; M144-K146 PolarHBondContact O-N 3.4Å |
| 147 | L | 62.4 | Low | 65.5 | Low | 113 Ų | 113 | 124.1 Ų | 124.1 | 59% | 0.592 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -101.6 | -25.1 | 179.1 | -66.6 | 175.3 | 0 | 0 | 0 | 112.8 | M144 T145 | M144-L147 PolarHBondContact O-N 3.1Å; T145-L147 PolarHBondContact O-N 3.39Å |
| 148 | H | 56.9 | Low | 65.9 | Low | 94 Ų | 94 | 121.6 Ų | 121.6 | 44% | 0.435 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -97 | -15.3 | -173.7 | -61 | 114.9 | 0 | 0 | 0 | 114.5 | I140 M144 T145 S150 | I140-H148 HydrophobicContact CD1-CB 3.64Å; I140-H148 HydrophobicContact CG1-CB 4.23Å; I140-H148 HydrophobicContact CG2-CB 4.42Å; M144-H148 PolarHBondContact O-ND1 3.03Å; T145-H148 PolarHBondContact O-N 3.49Å; H148-S150 VanDerWaalsContact C-N 3.31Å; H148-S150 PolarHBondContact O-N 3.48Å |
| 149 | M | 57 | Low | 66.2 | Low | 165 Ų | 165 | 128.4 Ų | 128.4 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -1.6 | 177.9 | -83.8 | 158.2 | 61.3 | 0 | 0 | 114.6 | T145 | T145-M149 PolarHBondContact O-N 3.03Š|
| 150 | S | 53.9 | Low | 66.6 | Low | 49 Ų | 49 | 126.4 Ų | 126.4 | 34% | 0.343 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.7 | 23.3 | -174.6 | 62.6 | 0 | 0 | 0 | 0 | 114.7 | H148 | H148-S150 VanDerWaalsContact C-N 3.31Å; H148-S150 PolarHBondContact O-N 3.48Å |
| 151 | H | 52.5 | Low | 66.9 | Low | 180 Ų | 180 | 133.9 Ų | 133.9 | 83% | 0.833 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -94.3 | 10.8 | 175.2 | -95.9 | -77.2 | 0 | 0 | 0 | 114.6 | ||
| 152 | A | 49.9 | Very low | 67.4 | Low | 105 Ų | 105 | 133.2 Ų | 133.2 | 87% | 0.868 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -124.8 | -3.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 153 | S | 44.8 | Very low | 68 | Low | 90 Ų | 90 | 133.1 Ų | 133.1 | 63% | 0.629 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -143.2 | 108.6 | 166.8 | 63 | 0 | 0 | 0 | 0 | 110.5 | S155 | S153-S155 PolarHBondContact O-N 3.3Š|
| 154 | E | 49 | Very low | 68.6 | Low | 175 Ų | 175 | 126.5 Ų | 126.5 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | trans | 13.7 | 94.4 | 155.2 | -70.1 | 156.6 | -172.9 | 0 | 0 | 116.4 | E156 | E154-E156 VanDerWaalsContact C-N 3.28Å; E154-E156 PolarHBondContact O-N 3.21Å | ||
| 155 | S | 55.7 | Low | 69.3 | Low | 111 Ų | 111 | 128.3 Ų | 128.3 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 47.3 | 3.7 | 133.9 | 44.1 | 0 | 0 | 0 | 0 | 123.4 | S153 | S153-S155 PolarHBondContact O-N 3.3Š|
| 156 | E | 55.8 | Low | 70.4 | Confident | 174 Ų | 174 | 135.6 Ų | 135.6 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | trans | -112 | 12.5 | -172.1 | -74.3 | -64.9 | 155.6 | 0 | 0 | 114.8 | E154 K158 | E154-E156 VanDerWaalsContact C-N 3.28Å; E154-E156 PolarHBondContact O-N 3.21Å; E156-K158 PolarHBondContact O-N 3.02Å | ||
| 157 | G | 59.6 | Low | 72 | Confident | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 69% | 0.69 | S | S | * | * | trans | -83.4 | -7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 158 | K | 71.9 | Confident | 73.7 | Confident | 162 Ų | 162 | 129 Ų | 129 | 70% | 0.704 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -104.8 | 106.3 | -174.7 | -69.8 | 149 | -176 | 167.5 | 0 | 109.1 | E156 S160 | E156-K158 PolarHBondContact O-N 3.02Å; K158-S160 PolarHBondContact O-N 3.39Å |
| 159 | R | 79.6 | Confident | 75.7 | Confident | 248 Ų | 248 | 126.7 Ų | 126.7 | 94% | 0.936 | 66% | 0.66 | S | S | * | * | trans | -50.1 | 109.7 | 172.8 | -70.2 | -178.7 | -176.9 | 171.3 | 0.3 | 109.4 | R161 | R159-R161 PolarHBondContact O-N 3.24Š| ||
| 160 | S | 86.8 | Confident | 77.7 | Confident | 112 Ų | 112 | 123.2 Ų | 123.2 | 78% | 0.783 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 136.5 | 178.7 | -176.1 | 0 | 0 | 0 | 0 | 110 | K158 | K158-S160 PolarHBondContact O-N 3.39Š|
| 161 | R | 91.3 | Very high | 79.8 | Confident | 235 Ų | 235 | 123.1 Ų | 123.1 | 89% | 0.887 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 116.7 | 179.4 | -64.7 | -179 | 75.9 | -140.5 | 3.8 | 108.7 | R159 | R159-R161 PolarHBondContact O-N 3.24Š|
| 162 | T | 94.5 | Very high | 82 | Confident | 120 Ų | 120 | 114.6 Ų | 114.6 | 74% | 0.736 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 130.3 | 170.3 | -44.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 163 | S | 96.5 | Very high | 84.3 | Confident | 108 Ų | 108 | 112.8 Ų | 112.8 | 76% | 0.755 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 146.2 | 171.2 | -169.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 164 | Y | 98.4 | Very high | 86.9 | Confident | 63 Ų | 63 | 114.1 Ų | 114.1 | 25% | 0.247 | 57% | 0.567 | C | S | . | * | P | Polyproline II helix | trans | -78.2 | 149.4 | 170.2 | -60.2 | -48.5 | 0 | 0 | 0 | 110.5 | L196 W204 | Y164-L196 HydrophobicContact CD1-CD1 4.13Å; Y164-L196 HydrophobicContact CD1-CD2 3.97Å; Y164-L196 HydrophobicContact CE1-CD1 4.04Å; Y164-L196 HydrophobicContact CE1-CD2 3.78Å; Y164-W204 AromaticContact CD2-CD1 3.86Å; Y164-W204 AromaticContact CE2-CD1 3.58Å |
| 165 | T | 98.6 | Very high | 89.2 | Confident | 75 Ų | 75 | 106.6 Ų | 106.6 | 46% | 0.46 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 164.1 | 172.9 | 73.2 | 0 | 0 | 0 | 0 | 110.4 | Y167 Q168 T169 | T165-Y167 VanDerWaalsContact C-N 3.31Å; T165-Y167 PolarHBondContact O-N 3.43Å; T165-Q168 PolarHBondContact O-N 3.15Å; T165-Q168 VanDerWaalsContact OG1-CG 3.31Å; T165-Q168 WeakPolarHBondContact OG1-CG 3.43Å; T165-Q168 PolarHBondContact OG1-N 3.4Å; T165-T169 PolarHBondContact O-N 3.29Å; T165-T169 VanDerWaalsContact O-N 3.08Å; T165-T169 PolarHBondContact O-OG1 3.47Å |
| 166 | R | 98.4 | Very high | 91.3 | Very high | 211 Ų | 211 | 101.3 Ų | 101.3 | 80% | 0.796 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58 | -45.7 | 175.1 | -173.5 | 173.6 | -177 | -171.8 | 0.2 | 111.4 | T169 L170 | R166-T169 PolarHBondContact O-N 3.07Å; R166-L170 HydrophobicContact CG-CD1 4.14Å; R166-L170 WeakPolarHBondContact O-CG 3.45Å; R166-L170 PolarHBondContact O-N 3.05Å |
| 167 | Y | 98.6 | Very high | 93.3 | Very high | 134 Ų | 134 | 98.3 Ų | 98.3 | 53% | 0.525 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 177.9 | 173.6 | -107.3 | 0 | 0 | 0 | 112.3 | T165 T169 L170 E171 L194 | T165-Y167 VanDerWaalsContact C-N 3.31Å; T165-Y167 PolarHBondContact O-N 3.43Å; Y167-T169 VanDerWaalsContact C-N 3.29Å; Y167-T169 PolarHBondContact O-N 3.11Å; Y167-L170 PolarHBondContact O-N 3.01Å; Y167-E171 HydrophobicContact CD2-CG 4.34Å; Y167-E171 HydrophobicContact CE1-CG 4.47Å; Y167-E171 HydrophobicContact CE2-CG 3.78Å; Y167-E171 PolarHBondContact O-N 3.15Å; Y167-L194 HydrophobicContact CD1-CD2 4.1Å; Y167-L194 HydrophobicContact CE1-CD2 3.57Å |
| 168 | Q | 98.7 | Very high | 95.2 | Very high | 26 Ų | 26 | 103.1 Ų | 103.1 | 12% | 0.121 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -58 | -43.6 | 177.5 | -73.2 | 172.7 | -25.6 | 0 | 0 | 111.8 | T165 L172 L194 L196 | T165-Q168 PolarHBondContact O-N 3.15Å; T165-Q168 VanDerWaalsContact OG1-CG 3.31Å; T165-Q168 WeakPolarHBondContact OG1-CG 3.43Å; T165-Q168 PolarHBondContact OG1-N 3.4Å; Q168-L172 WeakPolarHBondContact O-CB 3.34Å; Q168-L172 WeakPolarHBondContact O-CD1 3.5Å; Q168-L172 WeakPolarHBondContact O-CG 3.46Å; Q168-L172 PolarHBondContact O-N 3.38Å; Q168-L172 VanDerWaalsContact O-N 3.08Å; Q168-L194 HydrophobicContact CG-CB 4.28Å; Q168-L194 PolarHBondContact NE2-O 3.33Å; Q168-L196 HydrophobicContact CG-CD1 4.44Å |
| 169 | T | 98.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 98.9 Ų | 98.9 | 28% | 0.282 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 180 | -55.2 | 0 | 0 | 0 | 0 | 111.4 | T165 R166 Y167 L172 E173 | T165-T169 PolarHBondContact O-N 3.29Å; T165-T169 VanDerWaalsContact O-N 3.08Å; T165-T169 PolarHBondContact O-OG1 3.47Å; R166-T169 PolarHBondContact O-N 3.07Å; Y167-T169 VanDerWaalsContact C-N 3.29Å; Y167-T169 PolarHBondContact O-N 3.11Å; T169-L172 PolarHBondContact O-N 2.92Å; T169-E173 WeakPolarHBondContact O-CG 3.45Å; T169-E173 PolarHBondContact O-N 3.03Å |
| 170 | L | 98.5 | Very high | 97.3 | Very high | 92 Ų | 92 | 91 Ų | 91 | 48% | 0.482 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.4 | -46.9 | -179.8 | -71.8 | 173.1 | 0 | 0 | 0 | 112.4 | R166 Y167 L172 E173 K174 | R166-L170 HydrophobicContact CG-CD1 4.14Å; R166-L170 WeakPolarHBondContact O-CG 3.45Å; R166-L170 PolarHBondContact O-N 3.05Å; Y167-L170 PolarHBondContact O-N 3.01Å; L170-L172 VanDerWaalsContact C-N 3.33Å; L170-L172 PolarHBondContact O-N 3.27Å; L170-E173 PolarHBondContact O-N 2.83Å; L170-K174 WeakPolarHBondContact O-CB 3.18Å; L170-K174 PolarHBondContact O-N 3.45Å |
| 171 | E | 98.6 | Very high | 97.8 | Very high | 48 Ų | 48 | 92.6 Ų | 92.6 | 22% | 0.224 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.6 | -37.6 | 178.1 | -73.5 | -58.8 | 120.6 | 0 | 0 | 111.7 | Y167 E173 K174 E175 L194 | Y167-E171 HydrophobicContact CD2-CG 4.34Å; Y167-E171 HydrophobicContact CE1-CG 4.47Å; Y167-E171 HydrophobicContact CE2-CG 3.78Å; Y167-E171 PolarHBondContact O-N 3.15Å; E171-E173 PolarHBondContact O-N 2.91Å; E171-K174 PolarHBondContact O-N 2.93Å; E171-K174 IonicContact OE1-NZ 3.27Å; E171-K174 PolarHBondContact OE1-NZ 3.07Å; E171-K174 IonicContact OE2-NZ 2.89Å; E171-K174 PolarHBondContact OE2-NZ 2.94Å; E171-E175 WeakPolarHBondContact O-CB 3.31Å; E171-E175 WeakPolarHBondContact O-CG 3.38Å; E171-E175 PolarHBondContact O-N 2.97Å; E171-L194 HydrophobicContact CB-CD1 4.12Å; E171-L194 HydrophobicContact CB-CD2 3.8Å; E171-L194 HydrophobicContact CG-CD2 4.06Å |
| 172 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 173.9 | -72.2 | 167.6 | 0 | 0 | 0 | 112.4 | Q168 T169 L170 F176 I190 L194 L196 I201 W204 F205 | Q168-L172 WeakPolarHBondContact O-CB 3.34Å; Q168-L172 WeakPolarHBondContact O-CD1 3.5Å; Q168-L172 WeakPolarHBondContact O-CG 3.46Å; Q168-L172 PolarHBondContact O-N 3.38Å; Q168-L172 VanDerWaalsContact O-N 3.08Å; T169-L172 PolarHBondContact O-N 2.92Å; L170-L172 VanDerWaalsContact C-N 3.33Å; L170-L172 PolarHBondContact O-N 3.27Å; L172-F176 WeakPolarHBondContact O-CB 3.18Å; L172-F176 PolarHBondContact O-N 3.08Å; L172-I190 HydrophobicContact CD2-CG2 4.19Å; L172-L194 HydrophobicContact CD1-CD1 4.46Å; L172-L194 HydrophobicContact CD2-CD1 4.03Å; L172-L194 HydrophobicContact CG-CD1 3.78Å; L172-L196 HydrophobicContact CD1-CD1 4.35Å; L172-I201 HydrophobicContact CD2-CD1 3.8Å; L172-W204 VanDerWaalsContact C-CH2 3.43Å; L172-W204 HydrophobicContact CB-CD2 3.9Å; L172-W204 HydrophobicContact CB-CE3 3.92Å; L172-W204 HydrophobicContact CB-CH2 3.61Å; L172-W204 HydrophobicContact CB-CZ2 3.56Å; L172-W204 HydrophobicContact CB-CZ3 3.78Å; L172-W204 HydrophobicContact CD1-CD2 3.87Å; L172-W204 HydrophobicContact CD1-CG 3.82Å; L172-W204 HydrophobicContact CD2-CD2 4.3Å; L172-W204 HydrophobicContact CD2-CE3 4.21Å; L172-W204 HydrophobicContact CG-CD2 4.25Å; L172-W204 HydrophobicContact CG-CE3 4.46Å; L172-W204 WeakPolarHBondContact O-CH2 3.43Å; L172-W204 WeakPolarHBondContact O-CZ3 3.41Å; L172-F205 HydrophobicContact CD2-CE2 4.07Å |
| 173 | E | 98.6 | Very high | 98.3 | Very high | 68 Ų | 68 | 80.4 Ų | 80.4 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.9 | -45 | 175.8 | -75 | -169.4 | 167.7 | 0 | 0 | 112 | T169 L170 E171 E175 F176 H177 W204 | T169-E173 WeakPolarHBondContact O-CG 3.45Å; T169-E173 PolarHBondContact O-N 3.03Å; L170-E173 PolarHBondContact O-N 2.83Å; E171-E173 PolarHBondContact O-N 2.91Å; E173-E175 PolarHBondContact O-N 3.25Å; E173-F176 CarbonylContact O-C 3.55Å; E173-F176 WeakPolarHBondContact O-CB 2.75Å; E173-F176 PolarHBondContact O-N 2.87Å; E173-F176 VanDerWaalsContact O-N 3.15Å; E173-H177 PolarHBondContact O-CD2 3.21Å; E173-H177 PolarHBondContact O-N 2.82Å; E173-W204 HydrophobicContact CG-CH2 3.94Å; E173-W204 HydrophobicContact CG-CZ2 3.95Å |
| 174 | K | 98.6 | Very high | 98.4 | Very high | 117 Ų | 117 | 81.7 Ų | 81.7 | 51% | 0.509 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -55.8 | -50.1 | 174.4 | 174 | -175.8 | 161.3 | -158.8 | 0 | 111.5 | L170 E171 F176 H177 F178 | L170-K174 WeakPolarHBondContact O-CB 3.18Å; L170-K174 PolarHBondContact O-N 3.45Å; E171-K174 PolarHBondContact O-N 2.93Å; E171-K174 IonicContact OE1-NZ 3.27Å; E171-K174 PolarHBondContact OE1-NZ 3.07Å; E171-K174 IonicContact OE2-NZ 2.89Å; E171-K174 PolarHBondContact OE2-NZ 2.94Å; K174-F176 VanDerWaalsContact C-N 3.31Å; K174-F176 PolarHBondContact O-N 3.02Å; K174-H177 PolarHBondContact O-N 3.28Å; K174-H177 VanDerWaalsContact O-N 3.13Å; K174-F178 PolarHBondContact O-N 3.08Å; K174-F178 VanDerWaalsContact O-N 3.07Å |
| 175 | E | 98.5 | Very high | 98.4 | Very high | 17 Ų | 17 | 87.5 Ų | 87.5 | 8% | 0.079 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 175.9 | -73.6 | -63.4 | 133.3 | 0 | 0 | 112.1 | E171 E173 H177 F178 N179 R186 I190 F205 | E171-E175 WeakPolarHBondContact O-CB 3.31Å; E171-E175 WeakPolarHBondContact O-CG 3.38Å; E171-E175 PolarHBondContact O-N 2.97Å; E173-E175 PolarHBondContact O-N 3.25Å; E175-H177 VanDerWaalsContact C-N 3.31Å; E175-H177 PolarHBondContact O-N 3.03Å; E175-F178 PolarHBondContact O-N 2.77Å; E175-N179 PolarHBondContact O-N 2.7Å; E175-R186 IonicContact OE1-CZ 3.76Å; E175-R186 IonicContact OE1-NE 2.82Å; E175-R186 IonicContact OE1-NH2 2.67Å; E175-R186 PolarHBondContact OE1-NH2 3.23Å; E175-R186 IonicContact OE2-CZ 2.7Å; E175-R186 IonicContact OE2-NE 2.77Å; E175-R186 PolarHBondContact OE2-NE 2.87Å; E175-R186 IonicContact OE2-NH2 3.12Å; E175-R186 PolarHBondContact OE2-NH2 3.35Å; E175-R186 VanDerWaalsContact OE2-NH2 3.12Å; E175-I190 HydrophobicContact CB-CD1 4Å; E175-I190 HydrophobicContact CG-CD1 3.63Å; E175-I190 HydrophobicContact CG-CG1 4.07Å; E175-F205 HydrophobicContact CB-CZ 4.08Å |
| 176 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 88 Ų | 88 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.2 | -38 | 174.3 | -175.4 | -101.8 | 0 | 0 | 0 | 111.6 | L172 E173 K174 F178 N179 R180 W204 F205 R208 R209 W212 | L172-F176 WeakPolarHBondContact O-CB 3.18Å; L172-F176 PolarHBondContact O-N 3.08Å; E173-F176 CarbonylContact O-C 3.55Å; E173-F176 WeakPolarHBondContact O-CB 2.75Å; E173-F176 PolarHBondContact O-N 2.87Å; E173-F176 VanDerWaalsContact O-N 3.15Å; K174-F176 VanDerWaalsContact C-N 3.31Å; K174-F176 PolarHBondContact O-N 3.02Å; F176-F178 VanDerWaalsContact C-N 3.33Å; F176-N179 CarbonylContact O-C 3.49Å; F176-R180 HydrophobicContact CE2-CB 3.96Å; F176-R180 HydrophobicContact CE2-CG 4.48Å; F176-R180 HydrophobicContact CZ-CB 4.25Å; F176-R180 HydrophobicContact CZ-CG 4.35Å; F176-R180 WeakPolarHBondContact O-CD 3.43Å; F176-R180 PolarHBondContact O-NE 3.49Å; F176-W204 HydrophobicContact CB-CH2 4.26Å; F176-W204 HydrophobicContact CB-CZ3 4.02Å; F176-F205 HydrophobicContact CB-CE1 4.2Å; F176-F205 HydrophobicContact CB-CZ 4.29Å; F176-F205 AromaticContact CD2-CD1 3.96Å; F176-F205 HydrophobicContact CD2-CD1 3.96Å; F176-F205 AromaticContact CD2-CE1 3.88Å; F176-F205 HydrophobicContact CD2-CE1 3.88Å; F176-R208 HydrophobicContact CB-CG 4.32Å; F176-R208 HydrophobicContact CD1-CG 3.68Å; F176-R208 HydrophobicContact CD2-CB 4.25Å; F176-R208 HydrophobicContact CD2-CG 3.61Å; F176-R208 HydrophobicContact CE1-CG 3.78Å; F176-R208 HydrophobicContact CE2-CB 4.26Å; F176-R208 HydrophobicContact CE2-CG 3.73Å; F176-R208 HydrophobicContact CG-CG 3.58Å; F176-R208 HydrophobicContact CZ-CG 3.81Å; F176-R209 HydrophobicContact CE2-CG 3.76Å; F176-R209 HydrophobicContact CZ-CG 4.28Å; F176-W212 HydrophobicContact CE1-CB 4.34Å; F176-W212 HydrophobicContact CE1-CG 4.44Å; F176-W212 HydrophobicContact CZ-CB 4.13Å; F176-W212 HydrophobicContact CZ-CG 4.36Å |
| 177 | H | 98.2 | Very high | 98.4 | Very high | 112 Ų | 112 | 80.7 Ų | 80.7 | 52% | 0.519 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 175.8 | -79.9 | -72 | 0 | 0 | 0 | 111.8 | E173 K174 E175 R180 | E173-H177 PolarHBondContact O-CD2 3.21Å; E173-H177 PolarHBondContact O-N 2.82Å; K174-H177 PolarHBondContact O-N 3.28Å; K174-H177 VanDerWaalsContact O-N 3.13Å; E175-H177 VanDerWaalsContact C-N 3.31Å; E175-H177 PolarHBondContact O-N 3.03Å; H177-R180 PolarHBondContact O-NE 3.35Å |
| 178 | F | 98.3 | Very high | 98.5 | Very high | 171 Ų | 171 | 77.3 Ų | 77.3 | 75% | 0.75 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -63.3 | -49.7 | 176.6 | -179.3 | -103.8 | 0 | 0 | 0 | 112.5 | K174 E175 F176 | K174-F178 PolarHBondContact O-N 3.08Å; K174-F178 VanDerWaalsContact O-N 3.07Å; E175-F178 PolarHBondContact O-N 2.77Å; F176-F178 VanDerWaalsContact C-N 3.33Å |
| 179 | N | 97.6 | Very high | 98.4 | Very high | 74 Ų | 74 | 78.9 Ų | 78.9 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | trans | -146.7 | 126.3 | 178.1 | -173.4 | -7.8 | 0 | 0 | 0 | 111.7 | E175 F176 Y181 | E175-N179 PolarHBondContact O-N 2.7Å; F176-N179 CarbonylContact O-C 3.49Å; N179-Y181 PolarHBondContact ND2-O 3.34Å; N179-Y181 PolarHBondContact O-N 2.82Å; N179-Y181 PolarHBondContact OD1-N 3.22Å; N179-Y181 VanDerWaalsContact OD1-N 3.07Å; N179-Y181 PolarHBondContact OD1-O 3.17Å | ||
| 180 | R | 98.1 | Very high | 98.4 | Very high | 81 Ų | 81 | 77.1 Ų | 77.1 | 31% | 0.306 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -76 | -13.2 | -173.5 | -49.3 | -35 | 172.1 | 97.2 | -8.9 | 112.3 | F176 H177 R209 | F176-R180 HydrophobicContact CE2-CB 3.96Å; F176-R180 HydrophobicContact CE2-CG 4.48Å; F176-R180 HydrophobicContact CZ-CB 4.25Å; F176-R180 HydrophobicContact CZ-CG 4.35Å; F176-R180 WeakPolarHBondContact O-CD 3.43Å; F176-R180 PolarHBondContact O-NE 3.49Å; H177-R180 PolarHBondContact O-NE 3.35Å; R180-R209 WeakPolarHBondContact O-CD 3.34Å |
| 181 | Y | 98.3 | Very high | 98.5 | Very high | 146 Ų | 146 | 72.9 Ų | 72.9 | 57% | 0.573 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -135.2 | 123.7 | -177.3 | -63.7 | -105.5 | 0 | 0 | 0 | 109.7 | N179 | N179-Y181 PolarHBondContact ND2-O 3.34Å; N179-Y181 PolarHBondContact O-N 2.82Å; N179-Y181 PolarHBondContact OD1-N 3.22Å; N179-Y181 VanDerWaalsContact OD1-N 3.07Å; N179-Y181 PolarHBondContact OD1-O 3.17Å |
| 182 | L | 98.4 | Very high | 98.4 | Very high | 29 Ų | 29 | 76.2 Ų | 76.2 | 15% | 0.152 | 34% | 0.34 | C | S | . | . | trans | -86.8 | 138.2 | 178.9 | -63.9 | 179.5 | 0 | 0 | 0 | 112.3 | R186 I190 I201 F205 | L182-R186 HydrophobicContact CD2-CB 4.45Å; L182-R186 HydrophobicContact CD2-CG 3.86Å; L182-I190 HydrophobicContact CD1-CD1 3.85Å; L182-I190 HydrophobicContact CD2-CD1 3.8Å; L182-I190 HydrophobicContact CG-CD1 4.5Å; L182-I201 HydrophobicContact CD1-CG2 3.48Å; L182-I201 VanDerWaalsContact CD1-CG2 3.48Å; L182-F205 HydrophobicContact CD1-CD1 4.18Å; L182-F205 HydrophobicContact CD1-CD2 3.59Å; L182-F205 HydrophobicContact CD1-CE1 3.98Å; L182-F205 HydrophobicContact CD1-CE2 3.4Å; L182-F205 HydrophobicContact CD1-CG 4Å; L182-F205 HydrophobicContact CD1-CZ 3.6Å; L182-F205 HydrophobicContact CD2-CE1 3.8Å; L182-F205 HydrophobicContact CD2-CE2 4.38Å; L182-F205 HydrophobicContact CD2-CZ 3.71Å; L182-F205 HydrophobicContact CG-CD1 3.81Å; L182-F205 HydrophobicContact CG-CD2 4.16Å; L182-F205 HydrophobicContact CG-CE1 3.53Å; L182-F205 HydrophobicContact CG-CE2 3.93Å; L182-F205 HydrophobicContact CG-CG 4.12Å; L182-F205 HydrophobicContact CG-CZ 3.6Å | ||
| 183 | S | 98.6 | Very high | 98.4 | Very high | 71 Ų | 71 | 80.3 Ų | 80.3 | 50% | 0.497 | 37% | 0.369 | S | S | . | . | trans | -71.3 | 165.5 | 162.2 | 73.6 | 0 | 0 | 0 | 0 | 111.2 | R185 R186 R187 | S183-R185 PolarHBondContact O-N 3.31Å; S183-R186 PolarHBondContact OG-N 3.43Å; S183-R187 WeakPolarHBondContact O-CB 3.37Å; S183-R187 PolarHBondContact O-N 3.05Å; S183-R187 VanDerWaalsContact O-N 3.11Å | ||
| 184 | R | 98.4 | Very high | 98.4 | Very high | 134 Ų | 134 | 77.3 Ų | 77.3 | 51% | 0.506 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 177.9 | 179.2 | 67.2 | -179.9 | 89.2 | -9.6 | 111.8 | R187 I188 E198 | R184-R187 WeakPolarHBondContact O-CB 3.38Å; R184-R187 PolarHBondContact O-N 3.33Å; R184-I188 WeakPolarHBondContact O-CG1 3.39Å; R184-I188 PolarHBondContact O-N 3.48Å; R184-E198 VanDerWaalsContact CZ-CD 3.49Å; R184-E198 IonicContact CZ-OE1 3.62Å; R184-E198 IonicContact CZ-OE2 3.71Å; R184-E198 IonicContact NE-OE2 3.69Å; R184-E198 IonicContact NH1-OE1 3.93Å; R184-E198 PolarHBondContact NH1-OE1 3.03Å; R184-E198 IonicContact NH1-OE2 3.4Å; R184-E198 PolarHBondContact NH1-OE2 3.01Å; R184-E198 IonicContact NH2-OE1 2.86Å; R184-E198 PolarHBondContact NH2-OE1 2.89Å; R184-E198 IonicContact NH2-OE2 2.89Å; R184-E198 PolarHBondContact NH2-OE2 3.46Å |
| 185 | R | 98.4 | Very high | 98.4 | Very high | 185 Ų | 185 | 77.2 Ų | 77.2 | 70% | 0.698 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.4 | -50.6 | -179.7 | 177.4 | 178.7 | 158.2 | 163.2 | -4 | 111.3 | S183 R187 I188 E189 | S183-R185 PolarHBondContact O-N 3.31Å; R185-R187 PolarHBondContact O-N 2.83Å; R185-I188 WeakPolarHBondContact O-CB 3.33Å; R185-I188 PolarHBondContact O-N 3.28Å; R185-E189 WeakPolarHBondContact CG-OE1 3.14Å; R185-E189 IonicContact CZ-OE1 3.76Å; R185-E189 IonicContact NE-OE1 3.94Å; R185-E189 PolarHBondContact NE-OE1 3.48Å; R185-E189 IonicContact NH2-OE1 2.79Å; R185-E189 PolarHBondContact O-N 2.92Å |
| 186 | R | 98.6 | Very high | 98.4 | Very high | 86 Ų | 86 | 77.1 Ų | 77.1 | 33% | 0.325 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.3 | -34.7 | -179.1 | -172.1 | 57.3 | 178.8 | 167.8 | -1.1 | 112.5 | E175 L182 S183 I188 E189 I190 | E175-R186 IonicContact OE1-CZ 3.76Å; E175-R186 IonicContact OE1-NE 2.82Å; E175-R186 IonicContact OE1-NH2 2.67Å; E175-R186 PolarHBondContact OE1-NH2 3.23Å; E175-R186 IonicContact OE2-CZ 2.7Å; E175-R186 IonicContact OE2-NE 2.77Å; E175-R186 PolarHBondContact OE2-NE 2.87Å; E175-R186 IonicContact OE2-NH2 3.12Å; E175-R186 PolarHBondContact OE2-NH2 3.35Å; E175-R186 VanDerWaalsContact OE2-NH2 3.12Å; L182-R186 HydrophobicContact CD2-CB 4.45Å; L182-R186 HydrophobicContact CD2-CG 3.86Å; S183-R186 PolarHBondContact OG-N 3.43Å; R186-I188 VanDerWaalsContact C-N 3.32Å; R186-I188 PolarHBondContact O-N 2.98Å; R186-E189 WeakPolarHBondContact CD-OE2 3.38Å; R186-E189 IonicContact CZ-OE2 2.99Å; R186-E189 IonicContact NE-OE2 3.21Å; R186-E189 IonicContact NH1-OE2 3.2Å; R186-E189 PolarHBondContact NH1-OE2 3.34Å; R186-E189 PolarHBondContact O-N 3.5Å; R186-I190 HydrophobicContact CG-CD1 3.89Å; R186-I190 HydrophobicContact CG-CG1 4.44Å; R186-I190 WeakPolarHBondContact O-CG1 3.45Å; R186-I190 PolarHBondContact O-N 2.79Å; R186-I190 VanDerWaalsContact O-N 3.09Å |
| 187 | R | 98.6 | Very high | 98.4 | Very high | 57 Ų | 57 | 82.8 Ų | 82.8 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 174.4 | -169.6 | -168.7 | -56.8 | 165.6 | 5.3 | 112.7 | S183 R184 R185 A191 E198 I201 | S183-R187 WeakPolarHBondContact O-CB 3.37Å; S183-R187 PolarHBondContact O-N 3.05Å; S183-R187 VanDerWaalsContact O-N 3.11Å; R184-R187 WeakPolarHBondContact O-CB 3.38Å; R184-R187 PolarHBondContact O-N 3.33Å; R185-R187 PolarHBondContact O-N 2.83Å; R187-A191 WeakPolarHBondContact O-CB 3.45Å; R187-A191 PolarHBondContact O-N 3.49Å; R187-E198 HydrophobicContact CG-CB 4.28Å; R187-E198 HydrophobicContact CG-CG 4.44Å; R187-I201 HydrophobicContact CG-CB 4.04Å; R187-I201 HydrophobicContact CG-CG2 3.91Å |
| 188 | I | 98.7 | Very high | 98.4 | Very high | 63 Ų | 63 | 80.1 Ų | 80.1 | 32% | 0.323 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64 | -48.4 | 177 | -58.1 | 165.8 | 0 | 0 | 0 | 109.7 | R184 R185 R186 I190 A191 N192 | R184-I188 WeakPolarHBondContact O-CG1 3.39Å; R184-I188 PolarHBondContact O-N 3.48Å; R185-I188 WeakPolarHBondContact O-CB 3.33Å; R185-I188 PolarHBondContact O-N 3.28Å; R186-I188 VanDerWaalsContact C-N 3.32Å; R186-I188 PolarHBondContact O-N 2.98Å; I188-I190 PolarHBondContact O-N 2.89Å; I188-A191 WeakPolarHBondContact O-CB 3.34Å; I188-A191 PolarHBondContact O-N 2.74Å; I188-N192 PolarHBondContact O-N 3.48Å |
| 189 | E | 98.6 | Very high | 98.4 | Very high | 59 Ų | 59 | 80.7 Ų | 80.7 | 28% | 0.276 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -56.7 | -50.3 | -177.5 | -65.4 | 168.8 | -174.2 | 0 | 0 | 110.9 | R185 R186 A191 N192 S193 | R185-E189 WeakPolarHBondContact CG-OE1 3.14Å; R185-E189 IonicContact CZ-OE1 3.76Å; R185-E189 IonicContact NE-OE1 3.94Å; R185-E189 PolarHBondContact NE-OE1 3.48Å; R185-E189 IonicContact NH2-OE1 2.79Å; R185-E189 PolarHBondContact O-N 2.92Å; R186-E189 WeakPolarHBondContact CD-OE2 3.38Å; R186-E189 IonicContact CZ-OE2 2.99Å; R186-E189 IonicContact NE-OE2 3.21Å; R186-E189 IonicContact NH1-OE2 3.2Å; R186-E189 PolarHBondContact NH1-OE2 3.34Å; R186-E189 PolarHBondContact O-N 3.5Å; E189-A191 PolarHBondContact O-N 3.03Å; E189-N192 PolarHBondContact O-N 3.42Å; E189-S193 PolarHBondContact O-N 3.35Å; E189-S193 VanDerWaalsContact O-N 3.08Å; E189-S193 PolarHBondContact O-OG 2.94Å |
| 190 | I | 98.5 | Very high | 98.4 | Very high | 9 Ų | 9 | 79.9 Ų | 79.9 | 5% | 0.046 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66 | -40.9 | 179.1 | -61.2 | 165 | 0 | 0 | 0 | 111.6 | L172 E175 L182 R186 I188 N192 S193 L194 I201 | L172-I190 HydrophobicContact CD2-CG2 4.19Å; E175-I190 HydrophobicContact CB-CD1 4Å; E175-I190 HydrophobicContact CG-CD1 3.63Å; E175-I190 HydrophobicContact CG-CG1 4.07Å; L182-I190 HydrophobicContact CD1-CD1 3.85Å; L182-I190 HydrophobicContact CD2-CD1 3.8Å; L182-I190 HydrophobicContact CG-CD1 4.5Å; R186-I190 HydrophobicContact CG-CD1 3.89Å; R186-I190 HydrophobicContact CG-CG1 4.44Å; R186-I190 WeakPolarHBondContact O-CG1 3.45Å; R186-I190 PolarHBondContact O-N 2.79Å; R186-I190 VanDerWaalsContact O-N 3.09Å; I188-I190 PolarHBondContact O-N 2.89Å; I190-N192 VanDerWaalsContact C-N 3.3Å; I190-N192 PolarHBondContact O-N 3.35Å; I190-S193 PolarHBondContact O-N 3.47Å; I190-L194 HydrophobicContact CG2-CD1 3.7Å; I190-L194 HydrophobicContact CG2-CG 4.19Å; I190-L194 WeakPolarHBondContact O-CB 3.48Å; I190-L194 WeakPolarHBondContact O-CG 3.44Å; I190-L194 PolarHBondContact O-N 3.2Å; I190-I201 HydrophobicContact CG2-CD1 3.95Å |
| 191 | A | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 76 Ų | 76 | 3% | 0.033 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.2 | -46.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R187 I188 E189 L194 C195 L196 E198 I201 | R187-A191 WeakPolarHBondContact O-CB 3.45Å; R187-A191 PolarHBondContact O-N 3.49Å; I188-A191 WeakPolarHBondContact O-CB 3.34Å; I188-A191 PolarHBondContact O-N 2.74Å; E189-A191 PolarHBondContact O-N 3.03Å; A191-L194 PolarHBondContact O-N 2.97Å; A191-C195 PolarHBondContact O-N 2.96Å; A191-C195 VanDerWaalsContact O-N 3.1Å; A191-L196 CarbonylContact C-O 3.46Å; A191-L196 WeakPolarHBondContact CA-O 3.29Å; A191-L196 WeakPolarHBondContact CB-O 3.33Å; A191-L196 PolarHBondContact O-N 3.45Å; A191-E198 HydrophobicContact CB-CG 4.2Å; A191-I201 HydrophobicContact CB-CG1 4.05Å |
| 192 | N | 98.5 | Very high | 98.5 | Very high | 118 Ų | 118 | 74.7 Ų | 74.7 | 63% | 0.631 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.3 | -44.7 | 178.8 | -67.3 | -12.4 | 0 | 0 | 0 | 111.8 | I188 E189 I190 L194 C195 | I188-N192 PolarHBondContact O-N 3.48Å; E189-N192 PolarHBondContact O-N 3.42Å; I190-N192 VanDerWaalsContact C-N 3.3Å; I190-N192 PolarHBondContact O-N 3.35Å; N192-L194 VanDerWaalsContact C-N 3.28Å; N192-L194 PolarHBondContact O-N 2.99Å; N192-C195 PolarHBondContact O-N 3.25Å |
| 193 | S | 98.3 | Very high | 98.5 | Very high | 85 Ų | 85 | 75.8 Ų | 75.8 | 59% | 0.594 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.9 | -27.8 | -179.6 | -60.6 | 0 | 0 | 0 | 0 | 114.1 | E189 I190 | E189-S193 PolarHBondContact O-N 3.35Å; E189-S193 VanDerWaalsContact O-N 3.08Å; E189-S193 PolarHBondContact O-OG 2.94Å; I190-S193 PolarHBondContact O-N 3.47Å |
| 194 | L | 98.3 | Very high | 98.5 | Very high | 6 Ų | 6 | 73.8 Ų | 73.8 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -104 | 0.2 | -176.3 | -62.4 | -173 | 0 | 0 | 0 | 114 | Y167 Q168 E171 L172 I190 A191 N192 L196 | Y167-L194 HydrophobicContact CD1-CD2 4.1Å; Y167-L194 HydrophobicContact CE1-CD2 3.57Å; Q168-L194 HydrophobicContact CG-CB 4.28Å; Q168-L194 PolarHBondContact NE2-O 3.33Å; E171-L194 HydrophobicContact CB-CD1 4.12Å; E171-L194 HydrophobicContact CB-CD2 3.8Å; E171-L194 HydrophobicContact CG-CD2 4.06Å; L172-L194 HydrophobicContact CD1-CD1 4.46Å; L172-L194 HydrophobicContact CD2-CD1 4.03Å; L172-L194 HydrophobicContact CG-CD1 3.78Å; I190-L194 HydrophobicContact CG2-CD1 3.7Å; I190-L194 HydrophobicContact CG2-CG 4.19Å; I190-L194 WeakPolarHBondContact O-CB 3.48Å; I190-L194 WeakPolarHBondContact O-CG 3.44Å; I190-L194 PolarHBondContact O-N 3.2Å; A191-L194 PolarHBondContact O-N 2.97Å; N192-L194 VanDerWaalsContact C-N 3.28Å; N192-L194 PolarHBondContact O-N 2.99Å; L194-L196 VanDerWaalsContact C-N 3.27Å; L194-L196 HydrophobicContact CB-CD1 4.2Å; L194-L196 HydrophobicContact CB-CG 4.19Å; L194-L196 PolarHBondContact O-N 3.36Å |
| 195 | C | 98.4 | Very high | 98.5 | Very high | 115 Ų | 115 | 67.7 Ų | 67.7 | 78% | 0.777 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 45 | -172.6 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | A191 N192 | A191-C195 PolarHBondContact O-N 2.96Å; A191-C195 VanDerWaalsContact O-N 3.1Å; N192-C195 PolarHBondContact O-N 3.25Å |
| 196 | L | 98.1 | Very high | 98.5 | Very high | 15 Ų | 15 | 63.5 Ų | 63.5 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | trans | -121.2 | 148.6 | 177.5 | -67.3 | 178.4 | 0 | 0 | 0 | 109.9 | Y164 Q168 L172 A191 L194 Q200 I201 | Y164-L196 HydrophobicContact CD1-CD1 4.13Å; Y164-L196 HydrophobicContact CD1-CD2 3.97Å; Y164-L196 HydrophobicContact CE1-CD1 4.04Å; Y164-L196 HydrophobicContact CE1-CD2 3.78Å; Q168-L196 HydrophobicContact CG-CD1 4.44Å; L172-L196 HydrophobicContact CD1-CD1 4.35Å; A191-L196 CarbonylContact C-O 3.46Å; A191-L196 WeakPolarHBondContact CA-O 3.29Å; A191-L196 WeakPolarHBondContact CB-O 3.33Å; A191-L196 PolarHBondContact O-N 3.45Å; L194-L196 VanDerWaalsContact C-N 3.27Å; L194-L196 HydrophobicContact CB-CD1 4.2Å; L194-L196 HydrophobicContact CB-CG 4.19Å; L194-L196 PolarHBondContact O-N 3.36Å; L196-Q200 HydrophobicContact CB-CB 4.44Å; L196-I201 HydrophobicContact CB-CD1 3.94Å; L196-I201 HydrophobicContact CB-CG1 4.5Å; L196-I201 HydrophobicContact CD1-CD1 3.93Å | ||
| 197 | N | 98.4 | Very high | 98.5 | Very high | 118 Ų | 118 | 64.2 Ų | 64.2 | 63% | 0.631 | 32% | 0.322 | S | S | * | . | trans | -69.5 | 146.8 | 173.7 | -73.6 | -5.1 | 0 | 0 | 0 | 110.6 | R199 Q200 I201 | N197-R199 PolarHBondContact O-N 3.25Å; N197-Q200 HydrophobicContact CB-CG 4.44Å; N197-Q200 WeakPolarHBondContact O-CA 3.46Å; N197-Q200 WeakPolarHBondContact O-CB 3.42Å; N197-Q200 PolarHBondContact O-N 3.22Å; N197-I201 PolarHBondContact O-N 3.49Å | ||
| 198 | E | 98.6 | Very high | 98.5 | Very high | 56 Ų | 56 | 63.2 Ų | 63.2 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -51.3 | -35.6 | 175.5 | -69.7 | -167.4 | -143.8 | 0 | 0 | 113.5 | R184 R187 A191 Q200 I201 K202 | R184-E198 VanDerWaalsContact CZ-CD 3.49Å; R184-E198 IonicContact CZ-OE1 3.62Å; R184-E198 IonicContact CZ-OE2 3.71Å; R184-E198 IonicContact NE-OE2 3.69Å; R184-E198 IonicContact NH1-OE1 3.93Å; R184-E198 PolarHBondContact NH1-OE1 3.03Å; R184-E198 IonicContact NH1-OE2 3.4Å; R184-E198 PolarHBondContact NH1-OE2 3.01Å; R184-E198 IonicContact NH2-OE1 2.86Å; R184-E198 PolarHBondContact NH2-OE1 2.89Å; R184-E198 IonicContact NH2-OE2 2.89Å; R184-E198 PolarHBondContact NH2-OE2 3.46Å; R187-E198 HydrophobicContact CG-CB 4.28Å; R187-E198 HydrophobicContact CG-CG 4.44Å; A191-E198 HydrophobicContact CB-CG 4.2Å; E198-Q200 VanDerWaalsContact C-N 3.33Å; E198-Q200 PolarHBondContact O-N 3.08Å; E198-I201 PolarHBondContact O-N 3.41Å; E198-K202 WeakPolarHBondContact O-CB 3.43Å; E198-K202 PolarHBondContact O-N 3.1Å |
| 199 | R | 98.2 | Very high | 98.5 | Very high | 183 Ų | 183 | 64 Ų | 64 | 69% | 0.691 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.7 | -41.8 | 175.5 | -176.8 | 179.4 | -175 | -92.3 | -0.8 | 111.6 | N197 K202 I203 | N197-R199 PolarHBondContact O-N 3.25Å; R199-K202 PolarHBondContact O-N 3.44Å; R199-I203 HydrophobicContact CG-CD1 3.91Å; R199-I203 VanDerWaalsContact O-CG1 3.29Å; R199-I203 WeakPolarHBondContact O-CG1 3.48Å; R199-I203 PolarHBondContact O-N 3.2Å |
| 200 | Q | 98.4 | Very high | 98.4 | Very high | 57 Ų | 57 | 66 Ų | 66 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 177.7 | -69.2 | 170.2 | -54.9 | 0 | 0 | 110.3 | L196 N197 E198 K202 I203 W204 | L196-Q200 HydrophobicContact CB-CB 4.44Å; N197-Q200 HydrophobicContact CB-CG 4.44Å; N197-Q200 WeakPolarHBondContact O-CA 3.46Å; N197-Q200 WeakPolarHBondContact O-CB 3.42Å; N197-Q200 PolarHBondContact O-N 3.22Å; E198-Q200 VanDerWaalsContact C-N 3.33Å; E198-Q200 PolarHBondContact O-N 3.08Å; Q200-K202 VanDerWaalsContact C-N 3.33Å; Q200-K202 PolarHBondContact O-N 2.9Å; Q200-I203 PolarHBondContact O-N 3.5Å; Q200-W204 WeakPolarHBondContact O-CB 3.5Å; Q200-W204 PolarHBondContact O-N 2.98Å |
| 201 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.7 | -46.6 | 173.8 | -53 | -59.1 | 0 | 0 | 0 | 110.7 | L172 L182 R187 I190 A191 L196 N197 E198 I203 W204 F205 | L172-I201 HydrophobicContact CD2-CD1 3.8Å; L182-I201 HydrophobicContact CD1-CG2 3.48Å; L182-I201 VanDerWaalsContact CD1-CG2 3.48Å; R187-I201 HydrophobicContact CG-CB 4.04Å; R187-I201 HydrophobicContact CG-CG2 3.91Å; I190-I201 HydrophobicContact CG2-CD1 3.95Å; A191-I201 HydrophobicContact CB-CG1 4.05Å; L196-I201 HydrophobicContact CB-CD1 3.94Å; L196-I201 HydrophobicContact CB-CG1 4.5Å; L196-I201 HydrophobicContact CD1-CD1 3.93Å; N197-I201 PolarHBondContact O-N 3.49Å; E198-I201 PolarHBondContact O-N 3.41Å; I201-I203 PolarHBondContact O-N 2.89Å; I201-W204 PolarHBondContact O-N 3.39Å; I201-F205 HydrophobicContact CG2-CD2 4.09Å; I201-F205 HydrophobicContact CG2-CE2 4.28Å; I201-F205 WeakPolarHBondContact O-CD2 3.31Å; I201-F205 PolarHBondContact O-N 3.4Å |
| 202 | K | 98.4 | Very high | 98.2 | Very high | 118 Ų | 118 | 76.6 Ų | 76.6 | 51% | 0.513 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.9 | -48.4 | 177.5 | -178.8 | -177.6 | 176.2 | -177.5 | 0 | 112 | E198 R199 Q200 F205 Q206 | E198-K202 WeakPolarHBondContact O-CB 3.43Å; E198-K202 PolarHBondContact O-N 3.1Å; R199-K202 PolarHBondContact O-N 3.44Å; Q200-K202 VanDerWaalsContact C-N 3.33Å; Q200-K202 PolarHBondContact O-N 2.9Å; K202-F205 PolarHBondContact O-N 3.27Å; K202-Q206 PolarHBondContact O-N 3.48Å |
| 203 | I | 98.6 | Very high | 98.1 | Very high | 53 Ų | 53 | 75.9 Ų | 75.9 | 27% | 0.272 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 179.5 | -70.6 | 168.7 | 0 | 0 | 0 | 110.3 | R199 Q200 I201 F205 Q206 N207 | R199-I203 HydrophobicContact CG-CD1 3.91Å; R199-I203 VanDerWaalsContact O-CG1 3.29Å; R199-I203 WeakPolarHBondContact O-CG1 3.48Å; R199-I203 PolarHBondContact O-N 3.2Å; Q200-I203 PolarHBondContact O-N 3.5Å; I201-I203 PolarHBondContact O-N 2.89Å; I203-F205 PolarHBondContact O-N 3.38Å; I203-Q206 WeakPolarHBondContact O-CB 3.49Å; I203-Q206 PolarHBondContact O-N 3.09Å; I203-N207 VanDerWaalsContact O-CG 3.3Å; I203-N207 PolarHBondContact O-N 3.28Å; I203-N207 PolarHBondContact O-ND2 2.93Å |
| 204 | W | 98.6 | Very high | 97.9 | Very high | 28 Ų | 28 | 78.5 Ų | 78.5 | 11% | 0.106 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 179 | -169.9 | 100.6 | 0 | 0 | 0 | 111.2 | Y164 L172 E173 F176 Q200 I201 Q206 N207 R208 | Y164-W204 AromaticContact CD2-CD1 3.86Å; Y164-W204 AromaticContact CE2-CD1 3.58Å; L172-W204 VanDerWaalsContact C-CH2 3.43Å; L172-W204 HydrophobicContact CB-CD2 3.9Å; L172-W204 HydrophobicContact CB-CE3 3.92Å; L172-W204 HydrophobicContact CB-CH2 3.61Å; L172-W204 HydrophobicContact CB-CZ2 3.56Å; L172-W204 HydrophobicContact CB-CZ3 3.78Å; L172-W204 HydrophobicContact CD1-CD2 3.87Å; L172-W204 HydrophobicContact CD1-CG 3.82Å; L172-W204 HydrophobicContact CD2-CD2 4.3Å; L172-W204 HydrophobicContact CD2-CE3 4.21Å; L172-W204 HydrophobicContact CG-CD2 4.25Å; L172-W204 HydrophobicContact CG-CE3 4.46Å; L172-W204 WeakPolarHBondContact O-CH2 3.43Å; L172-W204 WeakPolarHBondContact O-CZ3 3.41Å; E173-W204 HydrophobicContact CG-CH2 3.94Å; E173-W204 HydrophobicContact CG-CZ2 3.95Å; F176-W204 HydrophobicContact CB-CH2 4.26Å; F176-W204 HydrophobicContact CB-CZ3 4.02Å; Q200-W204 WeakPolarHBondContact O-CB 3.5Å; Q200-W204 PolarHBondContact O-N 2.98Å; I201-W204 PolarHBondContact O-N 3.39Å; W204-Q206 VanDerWaalsContact C-N 3.3Å; W204-Q206 PolarHBondContact O-N 3.15Å; W204-N207 PolarHBondContact O-N 3.25Å; W204-R208 HydrophobicContact CD2-CB 4.48Å; W204-R208 HydrophobicContact CE3-CB 3.92Å; W204-R208 HydrophobicContact CE3-CG 4.42Å; W204-R208 HydrophobicContact CH2-CB 4.04Å; W204-R208 HydrophobicContact CH2-CG 3.7Å; W204-R208 HydrophobicContact CZ2-CG 4.47Å; W204-R208 HydrophobicContact CZ3-CB 3.68Å; W204-R208 HydrophobicContact CZ3-CG 3.67Å; W204-R208 VanDerWaalsContact O-CB 3.29Å; W204-R208 WeakPolarHBondContact O-CB 3.49Å; W204-R208 PolarHBondContact O-N 2.98Å |
| 205 | F | 98.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 81 Ų | 81 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.6 | -32 | 176.8 | -91.8 | -103.3 | 0 | 0 | 0 | 113 | L172 E175 F176 L182 I201 K202 I203 R209 | L172-F205 HydrophobicContact CD2-CE2 4.07Å; E175-F205 HydrophobicContact CB-CZ 4.08Å; F176-F205 HydrophobicContact CB-CE1 4.2Å; F176-F205 HydrophobicContact CB-CZ 4.29Å; F176-F205 AromaticContact CD2-CD1 3.96Å; F176-F205 HydrophobicContact CD2-CD1 3.96Å; F176-F205 AromaticContact CD2-CE1 3.88Å; F176-F205 HydrophobicContact CD2-CE1 3.88Å; L182-F205 HydrophobicContact CD1-CD1 4.18Å; L182-F205 HydrophobicContact CD1-CD2 3.59Å; L182-F205 HydrophobicContact CD1-CE1 3.98Å; L182-F205 HydrophobicContact CD1-CE2 3.4Å; L182-F205 HydrophobicContact CD1-CG 4Å; L182-F205 HydrophobicContact CD1-CZ 3.6Å; L182-F205 HydrophobicContact CD2-CE1 3.8Å; L182-F205 HydrophobicContact CD2-CE2 4.38Å; L182-F205 HydrophobicContact CD2-CZ 3.71Å; L182-F205 HydrophobicContact CG-CD1 3.81Å; L182-F205 HydrophobicContact CG-CD2 4.16Å; L182-F205 HydrophobicContact CG-CE1 3.53Å; L182-F205 HydrophobicContact CG-CE2 3.93Å; L182-F205 HydrophobicContact CG-CG 4.12Å; L182-F205 HydrophobicContact CG-CZ 3.6Å; I201-F205 HydrophobicContact CG2-CD2 4.09Å; I201-F205 HydrophobicContact CG2-CE2 4.28Å; I201-F205 WeakPolarHBondContact O-CD2 3.31Å; I201-F205 PolarHBondContact O-N 3.4Å; K202-F205 PolarHBondContact O-N 3.27Å; I203-F205 PolarHBondContact O-N 3.38Å; F205-R209 WeakPolarHBondContact O-CB 3.29Å; F205-R209 VanDerWaalsContact O-CG 3.31Å; F205-R209 WeakPolarHBondContact O-CG 3.43Å; F205-R209 PolarHBondContact O-N 3.49Å; F205-R209 VanDerWaalsContact O-N 3.1Å; F205-R209 PolarHBondContact O-NE 3.3Å |
| 206 | Q | 98.7 | Very high | 96.9 | Very high | 97 Ų | 97 | 77.8 Ų | 77.8 | 45% | 0.453 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.9 | -48.7 | 173.1 | -170.8 | 171.3 | 17.8 | 0 | 0 | 111.2 | K202 I203 W204 R208 R209 M210 | K202-Q206 PolarHBondContact O-N 3.48Å; I203-Q206 WeakPolarHBondContact O-CB 3.49Å; I203-Q206 PolarHBondContact O-N 3.09Å; W204-Q206 VanDerWaalsContact C-N 3.3Å; W204-Q206 PolarHBondContact O-N 3.15Å; Q206-R208 VanDerWaalsContact C-N 3.32Å; Q206-R208 PolarHBondContact O-N 3.26Å; Q206-R209 PolarHBondContact O-N 3.32Å; Q206-M210 WeakPolarHBondContact O-CG 3.49Å; Q206-M210 PolarHBondContact O-N 3.19Å; Q206-M210 VanDerWaalsContact O-N 3.08Å |
| 207 | N | 98.3 | Very high | 95.7 | Very high | 100 Ų | 100 | 84.1 Ų | 84.1 | 54% | 0.535 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 176.4 | -69 | -18 | 0 | 0 | 0 | 111.4 | I203 W204 R209 M210 K211 | I203-N207 VanDerWaalsContact O-CG 3.3Å; I203-N207 PolarHBondContact O-N 3.28Å; I203-N207 PolarHBondContact O-ND2 2.93Å; W204-N207 PolarHBondContact O-N 3.25Å; N207-R209 PolarHBondContact O-N 2.71Å; N207-M210 WeakPolarHBondContact O-CB 3.4Å; N207-M210 PolarHBondContact O-N 3.46Å; N207-K211 PolarHBondContact O-N 2.81Å |
| 208 | R | 98.5 | Very high | 94.5 | Very high | 36 Ų | 36 | 83 Ų | 83 | 14% | 0.136 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.7 | -42.3 | -179.2 | -173.8 | 66.1 | -169.8 | 100 | -9.6 | 112.2 | F176 W204 Q206 K211 W212 | F176-R208 HydrophobicContact CB-CG 4.32Å; F176-R208 HydrophobicContact CD1-CG 3.68Å; F176-R208 HydrophobicContact CD2-CB 4.25Å; F176-R208 HydrophobicContact CD2-CG 3.61Å; F176-R208 HydrophobicContact CE1-CG 3.78Å; F176-R208 HydrophobicContact CE2-CB 4.26Å; F176-R208 HydrophobicContact CE2-CG 3.73Å; F176-R208 HydrophobicContact CG-CG 3.58Å; F176-R208 HydrophobicContact CZ-CG 3.81Å; W204-R208 HydrophobicContact CD2-CB 4.48Å; W204-R208 HydrophobicContact CE3-CB 3.92Å; W204-R208 HydrophobicContact CE3-CG 4.42Å; W204-R208 HydrophobicContact CH2-CB 4.04Å; W204-R208 HydrophobicContact CH2-CG 3.7Å; W204-R208 HydrophobicContact CZ2-CG 4.47Å; W204-R208 HydrophobicContact CZ3-CB 3.68Å; W204-R208 HydrophobicContact CZ3-CG 3.67Å; W204-R208 VanDerWaalsContact O-CB 3.29Å; W204-R208 WeakPolarHBondContact O-CB 3.49Å; W204-R208 PolarHBondContact O-N 2.98Å; Q206-R208 VanDerWaalsContact C-N 3.32Å; Q206-R208 PolarHBondContact O-N 3.26Å; R208-K211 PolarHBondContact O-N 3.48Å; R208-W212 WeakPolarHBondContact O-CB 3.46Å; R208-W212 PolarHBondContact O-N 2.78Å |
| 209 | R | 98.3 | Very high | 93 | Very high | 81 Ų | 81 | 87.5 Ų | 87.5 | 31% | 0.306 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 173.3 | -74.6 | -177.9 | -67.5 | 155.5 | -0.4 | 112.1 | F176 R180 F205 Q206 N207 K211 W212 K213 | F176-R209 HydrophobicContact CE2-CG 3.76Å; F176-R209 HydrophobicContact CZ-CG 4.28Å; R180-R209 WeakPolarHBondContact O-CD 3.34Å; F205-R209 WeakPolarHBondContact O-CB 3.29Å; F205-R209 VanDerWaalsContact O-CG 3.31Å; F205-R209 WeakPolarHBondContact O-CG 3.43Å; F205-R209 PolarHBondContact O-N 3.49Å; F205-R209 VanDerWaalsContact O-N 3.1Å; F205-R209 PolarHBondContact O-NE 3.3Å; Q206-R209 PolarHBondContact O-N 3.32Å; N207-R209 PolarHBondContact O-N 2.71Å; R209-K211 VanDerWaalsContact C-N 3.34Å; R209-K211 PolarHBondContact O-N 3.3Å; R209-W212 PolarHBondContact O-N 3.23Å; R209-K213 PolarHBondContact O-N 3.45Å |
| 210 | M | 98.3 | Very high | 91.4 | Very high | 99 Ų | 99 | 83.7 Ų | 83.7 | 49% | 0.488 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 175.6 | -70.7 | -58.5 | -134.4 | 0 | 0 | 111.9 | Q206 N207 K214 | Q206-M210 WeakPolarHBondContact O-CG 3.49Å; Q206-M210 PolarHBondContact O-N 3.19Å; Q206-M210 VanDerWaalsContact O-N 3.08Å; N207-M210 WeakPolarHBondContact O-CB 3.4Å; N207-M210 PolarHBondContact O-N 3.46Å; M210-K214 WeakPolarHBondContact O-CG 3.46Å; M210-K214 PolarHBondContact O-N 2.91Å |
| 211 | K | 96.6 | Very high | 89.6 | Confident | 114 Ų | 114 | 89 Ų | 89 | 50% | 0.496 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.9 | -50.3 | 174.6 | -175 | -179.4 | 176 | -173.2 | 0 | 111.4 | N207 R208 R209 K213 K214 D215 | N207-K211 PolarHBondContact O-N 2.81Å; R208-K211 PolarHBondContact O-N 3.48Å; R209-K211 VanDerWaalsContact C-N 3.34Å; R209-K211 PolarHBondContact O-N 3.3Å; K211-K213 VanDerWaalsContact C-N 3.29Å; K211-K213 PolarHBondContact O-N 3.37Å; K211-K214 WeakPolarHBondContact O-CB 3.46Å; K211-K214 PolarHBondContact O-N 2.98Å; K211-D215 WeakPolarHBondContact CG-OD2 3.43Å; K211-D215 VanDerWaalsContact O-CG 3.23Å; K211-D215 PolarHBondContact O-N 3.49Å |
| 212 | W | 96.3 | Very high | 87.8 | Confident | 123 Ų | 123 | 95.1 Ų | 95.1 | 47% | 0.466 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -56 | -41.4 | 179.2 | 177.4 | 76.4 | 0 | 0 | 0 | 113.1 | F176 R208 R209 K214 D215 S216 | F176-W212 HydrophobicContact CE1-CB 4.34Å; F176-W212 HydrophobicContact CE1-CG 4.44Å; F176-W212 HydrophobicContact CZ-CB 4.13Å; F176-W212 HydrophobicContact CZ-CG 4.36Å; R208-W212 WeakPolarHBondContact O-CB 3.46Å; R208-W212 PolarHBondContact O-N 2.78Å; R209-W212 PolarHBondContact O-N 3.23Å; W212-K214 VanDerWaalsContact C-N 3.33Å; W212-K214 PolarHBondContact O-N 3.01Å; W212-D215 PolarHBondContact O-N 3.44Å; W212-S216 WeakPolarHBondContact O-CB 3.47Å; W212-S216 PolarHBondContact O-N 3.41Å; W212-S216 PolarHBondContact O-OG 3.21Å |
| 213 | K | 95.6 | Very high | 85.8 | Confident | 103 Ų | 103 | 94.4 Ų | 94.4 | 45% | 0.448 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 175.4 | -176.2 | -179.5 | 67.4 | 176.1 | 0 | 112.5 | R209 K211 K217 | R209-K213 PolarHBondContact O-N 3.45Å; K211-K213 VanDerWaalsContact C-N 3.29Å; K211-K213 PolarHBondContact O-N 3.37Å; K213-K217 WeakPolarHBondContact O-CG 3.36Å |
| 214 | K | 94.6 | Very high | 83.5 | Confident | 140 Ų | 140 | 100.3 Ų | 100.3 | 61% | 0.609 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.8 | -49 | 177.7 | -70.3 | 178.5 | 179.9 | -172.5 | 0 | 110.7 | M210 K211 W212 S216 K217 I218 | M210-K214 WeakPolarHBondContact O-CG 3.46Å; M210-K214 PolarHBondContact O-N 2.91Å; K211-K214 WeakPolarHBondContact O-CB 3.46Å; K211-K214 PolarHBondContact O-N 2.98Å; W212-K214 VanDerWaalsContact C-N 3.33Å; W212-K214 PolarHBondContact O-N 3.01Å; K214-S216 VanDerWaalsContact C-N 3.25Å; K214-S216 PolarHBondContact O-N 3.26Å; K214-K217 PolarHBondContact O-N 2.78Å; K214-K217 VanDerWaalsContact O-N 3.09Å; K214-I218 WeakPolarHBondContact O-CG1 3.33Å; K214-I218 PolarHBondContact O-N 3.29Å |
| 215 | D | 90.8 | Very high | 82.7 | Confident | 57 Ų | 57 | 103.9 Ų | 103.9 | 31% | 0.305 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.6 | -36.9 | -178.3 | -57.8 | -10.8 | 0 | 0 | 0 | 111.5 | K211 W212 K217 I218 K219 | K211-D215 WeakPolarHBondContact CG-OD2 3.43Å; K211-D215 VanDerWaalsContact O-CG 3.23Å; K211-D215 PolarHBondContact O-N 3.49Å; W212-D215 PolarHBondContact O-N 3.44Å; D215-K217 VanDerWaalsContact C-N 3.29Å; D215-K217 PolarHBondContact O-N 3.17Å; D215-I218 PolarHBondContact O-N 3.35Å; D215-K219 WeakPolarHBondContact O-CG 3.44Å; D215-K219 PolarHBondContact O-N 2.93Å |
| 216 | S | 84.8 | Confident | 81.9 | Confident | 48 Ų | 48 | 109 Ų | 109 | 34% | 0.336 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -28.7 | 179 | -55.3 | 0 | 0 | 0 | 0 | 113.2 | W212 K214 | W212-S216 WeakPolarHBondContact O-CB 3.47Å; W212-S216 PolarHBondContact O-N 3.41Å; W212-S216 PolarHBondContact O-OG 3.21Å; K214-S216 VanDerWaalsContact C-N 3.25Å; K214-S216 PolarHBondContact O-N 3.26Å |
| 217 | K | 72.6 | Confident | 81 | Confident | 148 Ų | 148 | 109.7 Ų | 109.7 | 64% | 0.643 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -81.9 | -30.8 | 178.8 | -67.4 | 177.7 | 177.7 | -157 | 0 | 112.7 | K213 K214 D215 | K213-K217 WeakPolarHBondContact O-CG 3.36Å; K214-K217 PolarHBondContact O-N 2.78Å; K214-K217 VanDerWaalsContact O-N 3.09Å; D215-K217 VanDerWaalsContact C-N 3.29Å; D215-K217 PolarHBondContact O-N 3.17Å |
| 218 | I | 73 | Confident | 79.9 | Confident | 95 Ų | 95 | 110.2 Ų | 110.2 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -72.4 | -43.6 | -179.5 | -64.8 | 163 | 0 | 0 | 0 | 109.9 | K214 D215 V220 K221 D222 | K214-I218 WeakPolarHBondContact O-CG1 3.33Å; K214-I218 PolarHBondContact O-N 3.29Å; D215-I218 PolarHBondContact O-N 3.35Å; I218-V220 PolarHBondContact O-N 2.78Å; I218-V220 VanDerWaalsContact O-N 3.15Å; I218-K221 PolarHBondContact O-N 2.7Å; I218-D222 PolarHBondContact O-N 3.36Å |
| 219 | K | 67 | Low | 78.8 | Confident | 151 Ų | 151 | 114.9 Ų | 114.9 | 66% | 0.657 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -58.2 | -30.6 | 179.1 | -71.1 | -176.4 | 175.7 | -159.3 | 0 | 114.6 | D215 K221 S223 | D215-K219 WeakPolarHBondContact O-CG 3.44Å; D215-K219 PolarHBondContact O-N 2.93Å; K219-K221 VanDerWaalsContact C-N 3.33Å; K219-S223 PolarHBondContact O-OG 3.34Å |
| 220 | V | 65.6 | Low | 77.5 | Confident | 103 Ų | 103 | 117.1 Ų | 117.1 | 62% | 0.624 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.7 | -31.9 | 177.6 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | I218 | I218-V220 PolarHBondContact O-N 2.78Å; I218-V220 VanDerWaalsContact O-N 3.15Å |
| 221 | K | 59.8 | Low | 76 | Confident | 167 Ų | 167 | 118.4 Ų | 118.4 | 73% | 0.726 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -82.9 | -30 | -175.5 | -168.9 | 172.2 | 178.4 | 179.3 | 0 | 113.4 | I218 K219 S223 | I218-K221 PolarHBondContact O-N 2.7Å; K219-K221 VanDerWaalsContact C-N 3.33Å; K221-S223 PolarHBondContact O-N 2.91Å |
| 222 | D | 61 | Low | 74.4 | Confident | 129 Ų | 129 | 118.8 Ų | 118.8 | 69% | 0.69 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -4.2 | 177.7 | -58.4 | -30.4 | 0 | 0 | 0 | 112.8 | I218 | I218-D222 PolarHBondContact O-N 3.36Š|
| 223 | S | 57.3 | Low | 72.6 | Confident | 104 Ų | 104 | 118.4 Ų | 118.4 | 73% | 0.727 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 8.1 | 179.8 | -50.1 | 0 | 0 | 0 | 0 | 113.4 | K219 K221 | K219-S223 PolarHBondContact O-OG 3.34Å; K221-S223 PolarHBondContact O-N 2.91Å |
| 224 | T | 49.1 | Very low | 70.5 | Confident | 176 Ų | 176 | 119.8 Ų | 119.8 | 100% | 1.08 | 63% | 0.626 | S | S | * | * | trans | -121.5 | 0 | 176 | -51.4 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 224 of 224 residues in 69.6 ms
(Link to these results)