| 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 | 40.5 | Very low | 49.2 | Very low | 242 Ų | 242 | 156.7 Ų | 156.7 | 100% | 1.192 | 84% | 0.838 | S | S | * | * | 0 | 114 | 0 | -152.3 | 173.3 | -75.6 | 0 | 0 | 106.3 | |||||
| 2 | I | 47.6 | Very low | 49.1 | Very low | 155 Ų | 155 | 153 Ų | 153 | 80% | 0.795 | 83% | 0.833 | S | S | * | * | trans | -74.2 | 137.5 | -168.9 | 51.2 | 173.5 | 0 | 0 | 0 | 111.1 | ||||
| 3 | I | 52.1 | Low | 48.6 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | trans | -96.6 | 100.1 | 176.1 | -65.5 | 169.4 | 0 | 0 | 0 | 107.6 | ||||
| 4 | S | 47.1 | Very low | 48.3 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 126.6 | 171.2 | -65.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 5 | T | 67.3 | Low | 48.2 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 147.1 | 167.9 | 48.1 | 0 | 0 | 0 | 0 | 110.8 | ||
| 6 | P | 52.9 | Low | 48.8 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 137.1 | -167.1 | 30.2 | -33.4 | 0 | 0 | 0 | 113.8 | ||
| 7 | Q | 50.1 | Low | 49 | Very low | 196 Ų | 196 | 145 Ų | 145 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 157.7 | 161.7 | -148.1 | -177.7 | 72.1 | 0 | 0 | 110 | ||
| 8 | R | 49.1 | Very low | 49 | Very low | 224 Ų | 224 | 141 Ų | 141 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | 136.8 | 131.7 | 155.8 | -161.3 | 171.9 | -150 | -155.4 | -0.5 | 110.8 | ||||
| 9 | I | 47.3 | Very low | 48.7 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 66% | 0.662 | 81% | 0.808 | S | S | * | * | cis | -159.4 | 153.9 | 18.9 | -126 | 160.3 | 0 | 0 | 0 | 109.9 | ||||
| 10 | A | 47.2 | Very low | 48.7 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -75.7 | 136 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 11 | N | 39.8 | Very low | 48.6 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -106 | 118.3 | 166.8 | -172 | 5 | 0 | 0 | 0 | 109.5 | ||||
| 12 | S | 48.8 | Very low | 49.5 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -125.7 | 125.2 | 176.1 | 52.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 13 | G | 41.6 | Very low | 49.7 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | trans | 148.3 | 102.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 14 | S | 44.4 | Very low | 49.7 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 81% | 0.811 | 77% | 0.766 | S | S | * | * | 70.6 | 118.3 | 90.3 | -159.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 15 | V | 47.5 | Very low | 49.9 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 68% | 0.679 | 77% | 0.768 | S | S | * | * | -173.3 | 128.5 | 63.6 | 171.1 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 16 | L | 57.4 | Low | 49.4 | Very low | 155 Ų | 155 | 128.6 Ų | 128.6 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | 34.4 | 117 | 141.2 | -37.1 | 168 | 0 | 0 | 0 | 121.3 | ||||
| 17 | I | 51.8 | Low | 49.5 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 91% | 0.913 | 77% | 0.768 | S | S | * | * | trans | -159.4 | 128.8 | 140 | -91.9 | 137.9 | 0 | 0 | 0 | 107.5 | ||||
| 18 | G | 48.8 | Very low | 49.6 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | trans | -75.6 | 148.7 | -160.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 19 | N | 44 | Very low | 50.1 | Low | 127 Ų | 127 | 122.5 Ų | 122.5 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | -171.8 | 126.2 | 112 | -142 | 30.9 | 0 | 0 | 0 | 107.6 | Y21 | N19-Y21 PolarHBondContact O-N 3.37Š| |||
| 20 | P | 49.2 | Very low | 49.8 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | trans | -74.7 | 102.1 | 172.8 | 30.9 | -27.3 | 0 | 0 | 0 | 106.4 | T22 | P20-T22 PolarHBondContact O-N 3.44Š| ||
| 21 | Y | 46.1 | Very low | 50.1 | Low | 211 Ų | 211 | 125.9 Ų | 125.9 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | trans | -67.1 | 88.3 | 163.9 | -89.3 | -86.1 | 0 | 0 | 0 | 107.6 | N19 | N19-Y21 PolarHBondContact O-N 3.37Š| ||
| 22 | T | 59.4 | Low | 50.4 | Low | 103 Ų | 103 | 126.1 Ų | 126.1 | 63% | 0.632 | 76% | 0.758 | S | S | * | * | trans | -61.8 | 129.9 | 162.6 | 48.6 | 0 | 0 | 0 | 0 | 107.9 | P20 A24 | P20-T22 PolarHBondContact O-N 3.44Å; T22-A24 VanDerWaalsContact C-N 3.3Å; T22-A24 PolarHBondContact O-N 3.34Å; T22-A24 VanDerWaalsContact O-N 3.1Å | ||
| 23 | P | 52.8 | Low | 50.8 | Low | 126 Ų | 126 | 129.3 Ų | 129.3 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -73.4 | 97 | 154.5 | 29.3 | -27.8 | 0 | 0 | 0 | 105.8 | P25 | P23-P25 WeakPolarHBondContact O-CD 3.35Š| ||
| 24 | A | 51.6 | Low | 51.2 | Low | 79 Ų | 79 | 129.7 Ų | 129.7 | 65% | 0.653 | 76% | 0.76 | S | S | * | * | trans | -56.5 | 128.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | T22 A26 | T22-A24 VanDerWaalsContact C-N 3.3Å; T22-A24 PolarHBondContact O-N 3.34Å; T22-A24 VanDerWaalsContact O-N 3.1Å; A24-A26 PolarHBondContact O-N 2.84Å; A24-A26 VanDerWaalsContact O-N 3.09Å | ||
| 25 | P | 51.3 | Low | 51 | Low | 114 Ų | 114 | 132.8 Ų | 132.8 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | trans | -66.7 | 110.5 | 163.8 | 27.4 | -30.3 | 0 | 0 | 0 | 106.9 | P23 M27 | P23-P25 WeakPolarHBondContact O-CD 3.35Å; P25-M27 PolarHBondContact O-N 3.25Å | ||
| 26 | A | 56.5 | Low | 51 | Low | 93 Ų | 93 | 132.1 Ų | 132.1 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -58.7 | 106 | 167 | 0 | 0 | 0 | 0 | 0 | 107.6 | A24 V28 | A24-A26 PolarHBondContact O-N 2.84Å; A24-A26 VanDerWaalsContact O-N 3.09Å; A26-V28 PolarHBondContact O-N 3.48Å | ||
| 27 | M | 54.7 | Low | 50.6 | Low | 172 Ų | 172 | 129.3 Ų | 129.3 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | trans | -70.3 | 94.8 | 171.9 | 14.9 | -177.8 | 67.8 | 0 | 0 | 107.5 | P25 T29 | P25-M27 PolarHBondContact O-N 3.25Å; M27-T29 PolarHBondContact O-N 3Å | ||
| 28 | V | 52.4 | Low | 50.1 | Low | 119 Ų | 119 | 123.1 Ų | 123.1 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | trans | -80.1 | 98.8 | 160.3 | 164.4 | 0 | 0 | 0 | 0 | 106.9 | A26 Q30 | A26-V28 PolarHBondContact O-N 3.48Å; V28-Q30 VanDerWaalsContact C-N 3.31Å; V28-Q30 HydrophobicContact CG1-CB 3.94Å; V28-Q30 PolarHBondContact O-N 3.01Å; V28-Q30 VanDerWaalsContact O-N 3.15Å | ||
| 29 | T | 58.7 | Low | 49.9 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -75.5 | 88.1 | 159.5 | 50.1 | 0 | 0 | 0 | 0 | 107.8 | M27 | M27-T29 PolarHBondContact O-N 3Š| ||
| 30 | Q | 41.4 | Very low | 50.1 | Low | 173 Ų | 173 | 132 Ų | 132 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | -103 | 92.5 | 160.3 | -166.5 | 169.6 | 25.8 | 0 | 0 | 108.4 | V28 H32 | V28-Q30 VanDerWaalsContact C-N 3.31Å; V28-Q30 HydrophobicContact CG1-CB 3.94Å; V28-Q30 PolarHBondContact O-N 3.01Å; V28-Q30 VanDerWaalsContact O-N 3.15Å; Q30-H32 PolarHBondContact O-N 3.5Å | ||
| 31 | T | 54.1 | Low | 50.4 | Low | 119 Ų | 119 | 133.1 Ų | 133.1 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | trans | -56.6 | 110 | 163.6 | 43.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 32 | H | 46.8 | Very low | 50.3 | Low | 165 Ų | 165 | 127.6 Ų | 127.6 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | 168.5 | 105.3 | 121.6 | -109.8 | -99.3 | 0 | 0 | 0 | 108.2 | Q30 A34 | Q30-H32 PolarHBondContact O-N 3.5Å; H32-A34 PolarHBondContact O-N 3.11Å | |||
| 33 | I | 56 | Low | 50.1 | Low | 178 Ų | 178 | 130.5 Ų | 130.5 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | -70.3 | 90.8 | 155.1 | -63.1 | 169 | 0 | 0 | 0 | 104.7 | ||||
| 34 | A | 49.8 | Very low | 50.2 | Low | 76 Ų | 76 | 136.1 Ų | 136.1 | 63% | 0.628 | 78% | 0.779 | S | S | * | * | trans | -98.8 | 98.7 | 166 | 0 | 0 | 0 | 0 | 0 | 107.2 | H32 | H32-A34 PolarHBondContact O-N 3.11Š| ||
| 35 | E | 40.9 | Very low | 50.4 | Low | 181 Ų | 181 | 142.4 Ų | 142.4 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | 58 | 127.7 | 150.2 | -58.8 | -156.2 | 119.3 | 0 | 0 | 119.6 | A37 | E35-A37 PolarHBondContact O-N 3.11Å; E35-A37 VanDerWaalsContact O-N 3.07Å | ||
| 36 | A | 46.7 | Very low | 50.5 | Low | 99 Ų | 99 | 148.3 Ų | 148.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -39.7 | 116.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | G38 | A36-G38 PolarHBondContact O-N 2.87Š| ||
| 37 | A | 48.8 | Very low | 50.2 | Low | 96 Ų | 96 | 149.1 Ų | 149.1 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | trans | -64.5 | 83.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | E35 W39 | E35-A37 PolarHBondContact O-N 3.11Å; E35-A37 VanDerWaalsContact O-N 3.07Å; A37-W39 PolarHBondContact O-N 3.47Å | ||
| 38 | G | 41.4 | Very low | 50.2 | Low | 48 Ų | 48 | 148.2 Ų | 148.2 | 50% | 0.495 | 79% | 0.793 | S | S | . | * | trans | -52.8 | 129.8 | 170 | 0 | 0 | 0 | 0 | 0 | 107.5 | A36 V40 | A36-G38 PolarHBondContact O-N 2.87Å; G38-V40 PolarHBondContact O-N 2.67Å | ||
| 39 | W | 44.7 | Very low | 50.4 | Low | 262 Ų | 262 | 150.7 Ų | 150.7 | 99% | 0.992 | 80% | 0.796 | S | S | * | * | trans | -64.5 | 86.2 | 160.6 | -68.3 | 63.4 | 0 | 0 | 0 | 105.8 | A37 P41 | A37-W39 PolarHBondContact O-N 3.47Å; W39-P41 WeakPolarHBondContact O-CD 3.32Å | ||
| 40 | V | 48.8 | Very low | 50.1 | Low | 123 Ų | 123 | 153.8 Ų | 153.8 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | trans | -90.7 | 112.9 | 174.4 | -79 | 0 | 0 | 0 | 0 | 108 | G38 S42 | G38-V40 PolarHBondContact O-N 2.67Å; V40-S42 PolarHBondContact O-N 3.31Å | ||
| 41 | P | 55.5 | Low | 51.1 | Low | 127 Ų | 127 | 153.1 Ų | 153.1 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -77.6 | 98.9 | 163 | -0.3 | 19.8 | 0 | 0 | 0 | 106.3 | W39 | W39-P41 WeakPolarHBondContact O-CD 3.32Š| ||
| 42 | S | 43 | Very low | 51 | Low | 95 Ų | 95 | 151.2 Ų | 151.2 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | trans | -155.2 | 115.3 | 165.8 | -84.5 | 0 | 0 | 0 | 0 | 112 | V40 R44 | V40-S42 PolarHBondContact O-N 3.31Å; S42-R44 PolarHBondContact O-N 2.69Å | ||
| 43 | D | 56.9 | Low | 51.2 | Low | 165 Ų | 165 | 148.6 Ų | 148.6 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -13.9 | 107.9 | 162.7 | -64.2 | -94.4 | 0 | 0 | 0 | 116.4 | ||||
| 44 | R | 53.9 | Low | 51 | Low | 243 Ų | 243 | 148.1 Ų | 148.1 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -131.7 | 86.8 | 157 | -67.9 | -167.7 | -177.8 | -174.1 | 2.7 | 110.3 | S42 | S42-R44 PolarHBondContact O-N 2.69Š| ||
| 45 | K | 55.3 | Low | 51.1 | Low | 211 Ų | 211 | 152.4 Ų | 152.4 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | trans | -49.2 | 130.2 | 161.1 | -135.6 | 173.6 | -166.5 | -75.5 | 0 | 109.3 | ||||
| 46 | R | 55.1 | Low | 51.9 | Low | 239 Ų | 239 | 146.1 Ų | 146.1 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 118.7 | 62.9 | 164 | -155.5 | -177.4 | -67.7 | 132 | -5.3 | 115.7 | ||
| 47 | A | 49.6 | Very low | 52.2 | Low | 109 Ų | 109 | 150 Ų | 150 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -164 | 34.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 48 | R | 54.7 | Low | 52.3 | Low | 153 Ų | 153 | 151.3 Ų | 151.3 | 58% | 0.577 | 77% | 0.769 | S | S | * | * | trans | -110 | 94.7 | -178 | 165.7 | 144.4 | -72.1 | -99.7 | -0.9 | 107 | D52 | R48-D52 IonicContact CZ-OD1 3.24Å; R48-D52 VanDerWaalsContact CZ-OD1 3.24Å; R48-D52 IonicContact NH1-OD1 2.77Å; R48-D52 PolarHBondContact NH1-OD1 2.63Å; R48-D52 IonicContact NH2-OD1 2.8Å; R48-D52 PolarHBondContact NH2-OD1 2.68Å; R48-D52 IonicContact NH2-OD2 3.36Å; R48-D52 PolarHBondContact NH2-OD2 3Å | ||
| 49 | E | 55.6 | Low | 52.9 | Low | 171 Ų | 171 | 158.5 Ų | 158.5 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 176.5 | 54.8 | 159 | -78.6 | -31.5 | 123.4 | 0 | 0 | 110.6 | ||
| 50 | F | 54 | Low | 53.5 | Low | 197 Ų | 197 | 154.3 Ų | 154.3 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -156.4 | -27.2 | 160.1 | -161.3 | -115.5 | 0 | 0 | 0 | 117 | ||
| 51 | I | 61.4 | Low | 53.9 | Low | 158 Ų | 158 | 154.3 Ų | 154.3 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -124 | 14 | -172.9 | -51.8 | 178.3 | 0 | 0 | 0 | 113.4 | ||
| 52 | D | 52.7 | Low | 53.8 | Low | 80 Ų | 80 | 157.8 Ų | 157.8 | 43% | 0.428 | 78% | 0.779 | S | S | . | * | S | Bend | trans | -127.1 | 39 | -175.8 | -159.2 | -100.9 | 0 | 0 | 0 | 113.1 | R48 S56 | R48-D52 IonicContact CZ-OD1 3.24Å; R48-D52 VanDerWaalsContact CZ-OD1 3.24Å; R48-D52 IonicContact NH1-OD1 2.77Å; R48-D52 PolarHBondContact NH1-OD1 2.63Å; R48-D52 IonicContact NH2-OD1 2.8Å; R48-D52 PolarHBondContact NH2-OD1 2.68Å; R48-D52 IonicContact NH2-OD2 3.36Å; R48-D52 PolarHBondContact NH2-OD2 3Å; D52-S56 PolarHBondContact O-OG 2.78Å |
| 53 | S | 51.1 | Low | 54.4 | Low | 110 Ų | 110 | 161 Ų | 161 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -124.1 | -6.3 | -179.4 | -129.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 54 | D | 51.3 | Low | 54.4 | Low | 167 Ų | 167 | 157.1 Ų | 157.1 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -105.3 | -9.2 | 178.7 | -133 | -73.8 | 0 | 0 | 0 | 113.8 | ||
| 55 | F | 51.8 | Low | 54.5 | Low | 166 Ų | 166 | 149.3 Ų | 149.3 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -120.3 | -8.9 | -179.6 | -152.1 | -103.5 | 0 | 0 | 0 | 114.9 | R60 | F55-R60 PolarHBondContact O-NH1 2.75Š|
| 56 | S | 58.2 | Low | 54.5 | Low | 50 Ų | 50 | 147.3 Ų | 147.3 | 35% | 0.35 | 75% | 0.747 | S | S | . | * | S | Bend | trans | -102.9 | 116 | -177.7 | 44.4 | 0 | 0 | 0 | 0 | 110 | D52 | D52-S56 PolarHBondContact O-OG 2.78Š|
| 57 | E | 52.2 | Low | 54.6 | Low | 181 Ų | 181 | 140.9 Ų | 140.9 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 78.1 | 37.7 | 141.3 | -154.3 | 147.7 | -99.2 | 0 | 0 | 120.5 | ||
| 58 | S | 51.5 | Low | 55.4 | Low | 122 Ų | 122 | 137.9 Ų | 137.9 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -142.4 | 8.4 | 163.5 | -86.8 | 0 | 0 | 0 | 0 | 118.3 | ||
| 59 | K | 54.3 | Low | 56.2 | Low | 199 Ų | 199 | 134.9 Ų | 134.9 | 87% | 0.865 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -134.6 | 1.2 | 176.1 | -76.2 | -84 | -173.1 | 162.7 | 0 | 116.2 | ||
| 60 | R | 57.2 | Low | 57.7 | Low | 174 Ų | 174 | 128.8 Ų | 128.8 | 66% | 0.657 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -96.6 | -5.3 | -168 | -75.4 | -170.1 | -178.8 | 115.6 | 6.1 | 117.4 | F55 | F55-R60 PolarHBondContact O-NH1 2.75Š|
| 61 | S | 55.6 | Low | 59.4 | Low | 123 Ų | 123 | 126.3 Ų | 126.3 | 86% | 0.86 | 68% | 0.68 | S | S | * | * | trans | -119.5 | 12.5 | -176.6 | -57 | 0 | 0 | 0 | 0 | 114.6 | K63 | S61-K63 PolarHBondContact O-N 3.06Å; S61-K63 VanDerWaalsContact O-N 3.08Å | ||
| 62 | K | 55.1 | Low | 60.7 | Low | 201 Ų | 201 | 128.2 Ų | 128.2 | 87% | 0.874 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -86.9 | 84.9 | 174.2 | -158.2 | 145.3 | -177.3 | 171.2 | 0 | 109.6 | ||
| 63 | K | 55 | Low | 62.5 | Low | 162 Ų | 162 | 127.5 Ų | 127.5 | 70% | 0.704 | 67% | 0.671 | S | S | * | * | trans | 65.9 | 65.5 | 160.1 | -138.3 | -175.8 | 178.8 | -171.9 | 0 | 114.5 | S61 D65 | S61-K63 PolarHBondContact O-N 3.06Å; S61-K63 VanDerWaalsContact O-N 3.08Å; K63-D65 VanDerWaalsContact CD-OD2 3.23Å; K63-D65 WeakPolarHBondContact CD-OD2 3.19Å; K63-D65 WeakPolarHBondContact CE-OD2 3.46Å; K63-D65 WeakPolarHBondContact CG-OD2 3.39Å; K63-D65 IonicContact NZ-OD2 3.85Å; K63-D65 PolarHBondContact O-N 2.87Å | ||
| 64 | G | 57.8 | Low | 64.4 | Low | 83 Ų | 83 | 125.6 Ų | 125.6 | 86% | 0.856 | 65% | 0.649 | S | S | * | * | trans | -71.9 | 76 | 160 | 0 | 0 | 0 | 0 | 0 | 109.3 | K66 | G64-K66 PolarHBondContact O-N 3.24Š| ||
| 65 | D | 54.9 | Low | 66.4 | Low | 80 Ų | 80 | 121 Ų | 121 | 43% | 0.428 | 63% | 0.63 | S | S | . | * | trans | -59.2 | 100.3 | 177.3 | -84.3 | -65.8 | 0 | 0 | 0 | 109.8 | K63 N67 | K63-D65 VanDerWaalsContact CD-OD2 3.23Å; K63-D65 WeakPolarHBondContact CD-OD2 3.19Å; K63-D65 WeakPolarHBondContact CE-OD2 3.46Å; K63-D65 WeakPolarHBondContact CG-OD2 3.39Å; K63-D65 IonicContact NZ-OD2 3.85Å; K63-D65 PolarHBondContact O-N 2.87Å; D65-N67 PolarHBondContact O-N 3.42Å | ||
| 66 | K | 56.4 | Low | 68.4 | Low | 168 Ų | 168 | 117.5 Ų | 117.5 | 73% | 0.73 | 62% | 0.617 | S | S | * | * | S | Bend | 80.5 | 3.8 | 117.9 | -67.6 | 168.4 | -175.6 | 151.4 | 0 | 122.7 | G64 | G64-K66 PolarHBondContact O-N 3.24Š| |
| 67 | N | 57.2 | Low | 70.1 | Confident | 105 Ų | 105 | 118.2 Ų | 118.2 | 56% | 0.561 | 61% | 0.614 | S | S | * | * | trans | -125.7 | 2.8 | 175.6 | -69.6 | 101.6 | 0 | 0 | 0 | 117.1 | D65 K69 | D65-N67 PolarHBondContact O-N 3.42Å; N67-K69 HydrophobicContact CB-CD 3.85Å; N67-K69 HydrophobicContact CB-CG 3.78Å; N67-K69 WeakPolarHBondContact O-CG 3.38Å; N67-K69 PolarHBondContact O-N 3.49Å; N67-K69 VanDerWaalsContact O-N 3.08Å | ||
| 68 | G | 64.7 | Low | 72.1 | Confident | 46 Ų | 46 | 112.4 Ų | 112.4 | 47% | 0.474 | 59% | 0.59 | S | S | . | * | trans | 56.6 | 29.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | H73 | G68-H73 WeakPolarHBondContact O-CB 3.12Å; G68-H73 PolarHBondContact O-CD2 2.81Å; G68-H73 VanDerWaalsContact O-CD2 3.3Å; G68-H73 PolarHBondContact O-ND1 3.22Å | ||
| 69 | K | 73.3 | Confident | 74.2 | Confident | 90 Ų | 90 | 110.6 Ų | 110.6 | 39% | 0.391 | 58% | 0.577 | S | S | . | * | trans | -99.2 | 9.2 | -174.4 | -58.1 | -175 | 166.2 | -178.9 | 0 | 113.7 | N67 F74 F101 N105 | N67-K69 HydrophobicContact CB-CD 3.85Å; N67-K69 HydrophobicContact CB-CG 3.78Å; N67-K69 WeakPolarHBondContact O-CG 3.38Å; N67-K69 PolarHBondContact O-N 3.49Å; N67-K69 VanDerWaalsContact O-N 3.08Å; K69-F74 WeakPolarHBondContact O-CE2 3.34Å; K69-F101 HydrophobicContact CB-CZ 4.38Å; K69-F101 HydrophobicContact CD-CE2 4.26Å; K69-F101 HydrophobicContact CD-CZ 3.67Å; K69-F101 HydrophobicContact CG-CE2 3.95Å; K69-F101 HydrophobicContact CG-CZ 3.78Å; K69-N105 PolarHBondContact NZ-OD1 3.08Å | ||
| 70 | G | 86.4 | Confident | 76.1 | Confident | 43 Ų | 43 | 104.7 Ų | 104.7 | 44% | 0.443 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -85.8 | 169.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R72 H73 F74 | G70-R72 PolarHBondContact O-N 3.08Å; G70-R72 VanDerWaalsContact O-N 3.11Å; G70-H73 WeakPolarHBondContact O-CB 3.5Å; G70-H73 PolarHBondContact O-N 3.48Å; G70-F74 PolarHBondContact O-N 2.83Å |
| 71 | L | 88.9 | Confident | 77.9 | Confident | 145 Ų | 145 | 96.8 Ų | 96.8 | 76% | 0.759 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -51.6 | -38.8 | 179.1 | -71.1 | 177.8 | 0 | 0 | 0 | 113 | H73 F74 S75 | L71-H73 PolarHBondContact O-N 2.92Å; L71-F74 PolarHBondContact O-N 3.32Å; L71-F74 VanDerWaalsContact O-N 3.11Å; L71-S75 WeakPolarHBondContact O-CB 3.08Å; L71-S75 PolarHBondContact O-N 2.96Å; L71-S75 PolarHBondContact O-OG 3.06Å |
| 72 | R | 89 | Confident | 79.9 | Confident | 198 Ų | 198 | 93.6 Ų | 93.6 | 75% | 0.747 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -55.5 | -34.3 | 176.3 | -175.3 | 173.3 | -179.4 | -85.7 | -1.1 | 113.3 | G70 M76 | G70-R72 PolarHBondContact O-N 3.08Å; G70-R72 VanDerWaalsContact O-N 3.11Å; R72-M76 WeakPolarHBondContact O-CB 3.16Å; R72-M76 PolarHBondContact O-N 3.09Å; R72-M76 VanDerWaalsContact O-N 3.1Å |
| 73 | H | 90.3 | Very high | 81.8 | Confident | 64 Ų | 64 | 92.1 Ų | 92.1 | 30% | 0.296 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -72.2 | -46.6 | 176.3 | 174.5 | -106.2 | 0 | 0 | 0 | 111.7 | G68 G70 L71 S75 M76 K77 | G68-H73 WeakPolarHBondContact O-CB 3.12Å; G68-H73 PolarHBondContact O-CD2 2.81Å; G68-H73 VanDerWaalsContact O-CD2 3.3Å; G68-H73 PolarHBondContact O-ND1 3.22Å; G70-H73 WeakPolarHBondContact O-CB 3.5Å; G70-H73 PolarHBondContact O-N 3.48Å; L71-H73 PolarHBondContact O-N 2.92Å; H73-S75 VanDerWaalsContact C-N 3.33Å; H73-S75 PolarHBondContact O-N 2.86Å; H73-M76 WeakPolarHBondContact O-CB 3.19Å; H73-M76 PolarHBondContact O-N 3.42Å; H73-M76 VanDerWaalsContact O-N 3.14Å; H73-K77 PolarHBondContact O-N 3.46Å |
| 74 | F | 91.7 | Very high | 83.7 | Confident | 71 Ų | 71 | 92.4 Ų | 92.4 | 31% | 0.311 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 176.3 | -67.7 | -67 | 0 | 0 | 0 | 111.3 | K69 G70 L71 M76 K77 V78 F101 | K69-F74 WeakPolarHBondContact O-CE2 3.34Å; G70-F74 PolarHBondContact O-N 2.83Å; L71-F74 PolarHBondContact O-N 3.32Å; L71-F74 VanDerWaalsContact O-N 3.11Å; F74-M76 VanDerWaalsContact C-N 3.28Å; F74-M76 PolarHBondContact O-N 3Å; F74-K77 PolarHBondContact O-N 2.8Å; F74-V78 WeakPolarHBondContact O-CB 3.32Å; F74-V78 VanDerWaalsContact O-CG2 3.25Å; F74-V78 WeakPolarHBondContact O-CG2 3.23Å; F74-V78 PolarHBondContact O-N 3.35Å; F74-F101 HydrophobicContact CE1-CD2 4.4Å; F74-F101 HydrophobicContact CZ-CD2 4.4Å; F74-F101 HydrophobicContact CZ-CE2 4.32Å |
| 75 | S | 93.1 | Very high | 85.5 | Confident | 71 Ų | 71 | 92.2 Ų | 92.2 | 50% | 0.497 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -55.8 | -43.9 | 172.4 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | L71 H73 C79 | L71-S75 WeakPolarHBondContact O-CB 3.08Å; L71-S75 PolarHBondContact O-N 2.96Å; L71-S75 PolarHBondContact O-OG 3.06Å; H73-S75 VanDerWaalsContact C-N 3.33Å; H73-S75 PolarHBondContact O-N 2.86Å; S75-C79 PolarHBondContact O-N 2.95Å |
| 76 | M | 92.8 | Very high | 87.4 | Confident | 92 Ų | 92 | 90.8 Ų | 90.8 | 45% | 0.453 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 177.1 | -169 | 131.5 | 62.1 | 0 | 0 | 111.8 | R72 H73 F74 V78 C79 E80 | R72-M76 WeakPolarHBondContact O-CB 3.16Å; R72-M76 PolarHBondContact O-N 3.09Å; R72-M76 VanDerWaalsContact O-N 3.1Å; H73-M76 WeakPolarHBondContact O-CB 3.19Å; H73-M76 PolarHBondContact O-N 3.42Å; H73-M76 VanDerWaalsContact O-N 3.14Å; F74-M76 VanDerWaalsContact C-N 3.28Å; F74-M76 PolarHBondContact O-N 3Å; M76-V78 PolarHBondContact O-N 3.39Å; M76-C79 PolarHBondContact O-N 3.25Å; M76-E80 PolarHBondContact O-N 3.4Å; M76-E80 VanDerWaalsContact O-N 3.11Å |
| 77 | K | 94.1 | Very high | 89.2 | Confident | 65 Ų | 65 | 89.5 Ų | 89.5 | 28% | 0.283 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.1 | -36.7 | -179.4 | -125.9 | 64.6 | -170.3 | 151.9 | 0 | 113.6 | H73 F74 E80 K81 L97 | H73-K77 PolarHBondContact O-N 3.46Å; F74-K77 PolarHBondContact O-N 2.8Å; K77-E80 WeakPolarHBondContact CE-OE2 3.33Å; K77-E80 IonicContact NZ-OE1 2.69Å; K77-E80 PolarHBondContact NZ-OE1 3.01Å; K77-E80 IonicContact NZ-OE2 2.67Å; K77-E80 PolarHBondContact NZ-OE2 3.19Å; K77-E80 PolarHBondContact O-N 2.62Å; K77-K81 WeakPolarHBondContact O-CB 3.42Å; K77-K81 PolarHBondContact O-N 3.26Å; K77-L97 HydrophobicContact CB-CD1 4.32Å; K77-L97 HydrophobicContact CB-CD2 3.59Å; K77-L97 HydrophobicContact CG-CD2 3.56Å |
| 78 | V | 95.2 | Very high | 91.1 | Very high | 58 Ų | 58 | 86.2 Ų | 86.2 | 35% | 0.352 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 172.6 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | F74 M76 E80 K81 V82 V93 L97 | F74-V78 WeakPolarHBondContact O-CB 3.32Å; F74-V78 VanDerWaalsContact O-CG2 3.25Å; F74-V78 WeakPolarHBondContact O-CG2 3.23Å; F74-V78 PolarHBondContact O-N 3.35Å; M76-V78 PolarHBondContact O-N 3.39Å; V78-E80 PolarHBondContact O-N 3.4Å; V78-K81 PolarHBondContact O-N 3.47Å; V78-V82 HydrophobicContact CG1-CG2 4.21Å; V78-V82 VanDerWaalsContact O-CG2 3.3Å; V78-V82 WeakPolarHBondContact O-CG2 3.3Å; V78-V82 PolarHBondContact O-N 2.95Å; V78-V93 HydrophobicContact CB-CG1 4.49Å; V78-V93 HydrophobicContact CG1-CG1 4.33Å; V78-V93 HydrophobicContact CG2-CG1 4.07Å; V78-L97 HydrophobicContact CB-CD1 4.46Å; V78-L97 HydrophobicContact CG2-CD1 3.46Å; V78-L97 VanDerWaalsContact CG2-CD1 3.46Å |
| 79 | C | 94.4 | Very high | 92.6 | Very high | 84 Ų | 84 | 87 Ų | 87 | 57% | 0.568 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.5 | -48.3 | 176.9 | -78.8 | 0 | 0 | 0 | 0 | 112.2 | S75 M76 K81 V82 Q83 | S75-C79 PolarHBondContact O-N 2.95Å; M76-C79 PolarHBondContact O-N 3.25Å; C79-K81 VanDerWaalsContact C-N 3.28Å; C79-K81 PolarHBondContact O-N 2.98Å; C79-V82 PolarHBondContact O-N 3.09Å; C79-Q83 VanDerWaalsContact O-CB 3.28Å; C79-Q83 WeakPolarHBondContact O-CB 3.44Å; C79-Q83 PolarHBondContact O-N 2.82Å |
| 80 | E | 94.8 | Very high | 93.7 | Very high | 75 Ų | 75 | 91.6 Ų | 91.6 | 35% | 0.35 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.8 | -36.9 | 178.1 | -71.6 | 174.8 | -169.5 | 0 | 0 | 112.9 | M76 K77 V78 R84 | M76-E80 PolarHBondContact O-N 3.4Å; M76-E80 VanDerWaalsContact O-N 3.11Å; K77-E80 WeakPolarHBondContact CE-OE2 3.33Å; K77-E80 IonicContact NZ-OE1 2.69Å; K77-E80 PolarHBondContact NZ-OE1 3.01Å; K77-E80 IonicContact NZ-OE2 2.67Å; K77-E80 PolarHBondContact NZ-OE2 3.19Å; K77-E80 PolarHBondContact O-N 2.62Å; V78-E80 PolarHBondContact O-N 3.4Å; E80-R84 PolarHBondContact O-N 3.48Å; E80-R84 PolarHBondContact O-NE 3.45Å |
| 81 | K | 95.8 | Very high | 94.2 | Very high | 8 Ų | 8 | 94.7 Ų | 94.7 | 4% | 0.035 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -72.7 | -47 | -178.6 | -168.7 | 72.6 | 77.5 | 152.4 | 0 | 111.4 | K77 V78 C79 Q83 R84 K85 V93 E96 E100 | K77-K81 WeakPolarHBondContact O-CB 3.42Å; K77-K81 PolarHBondContact O-N 3.26Å; V78-K81 PolarHBondContact O-N 3.47Å; C79-K81 VanDerWaalsContact C-N 3.28Å; C79-K81 PolarHBondContact O-N 2.98Å; K81-Q83 VanDerWaalsContact C-N 3.32Å; K81-Q83 PolarHBondContact O-N 3.48Å; K81-R84 PolarHBondContact O-N 3.43Å; K81-K85 HydrophobicContact CD-CD 4.34Å; K81-K85 HydrophobicContact CG-CD 4.2Å; K81-K85 PolarHBondContact O-N 3.22Å; K81-V93 HydrophobicContact CB-CG1 4.35Å; K81-V93 HydrophobicContact CG-CG1 4.33Å; K81-V93 HydrophobicContact CG-CG2 4.19Å; K81-E96 WeakPolarHBondContact CD-OE2 3.25Å; K81-E96 WeakPolarHBondContact CE-OE2 3.5Å; K81-E96 IonicContact NZ-OE2 3.47Å; K81-E96 PolarHBondContact NZ-OE2 3.15Å; K81-E100 IonicContact NZ-OE1 2.68Å; K81-E100 PolarHBondContact NZ-OE1 3.1Å |
| 82 | V | 96.7 | Very high | 94.5 | Very high | 57 Ų | 57 | 91.3 Ų | 91.3 | 35% | 0.345 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 177.4 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | V78 C79 R84 K85 G86 T88 V93 | V78-V82 HydrophobicContact CG1-CG2 4.21Å; V78-V82 VanDerWaalsContact O-CG2 3.3Å; V78-V82 WeakPolarHBondContact O-CG2 3.3Å; V78-V82 PolarHBondContact O-N 2.95Å; C79-V82 PolarHBondContact O-N 3.09Å; V82-R84 VanDerWaalsContact C-N 3.32Å; V82-R84 PolarHBondContact O-N 3.1Å; V82-K85 PolarHBondContact O-N 2.93Å; V82-G86 WeakPolarHBondContact O-CA 3.41Å; V82-G86 PolarHBondContact O-N 3.5Å; V82-T88 HydrophobicContact CB-CG2 4.29Å; V82-T88 HydrophobicContact CG1-CG2 4.42Å; V82-T88 HydrophobicContact CG2-CG2 3.74Å; V82-V93 HydrophobicContact CG2-CG2 4.41Å |
| 83 | Q | 95.5 | Very high | 94.9 | Very high | 169 Ų | 169 | 82.3 Ų | 82.3 | 79% | 0.79 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.1 | -35.7 | 178.4 | -173.7 | 174.4 | -13.6 | 0 | 0 | 112.8 | C79 K81 | C79-Q83 VanDerWaalsContact O-CB 3.28Å; C79-Q83 WeakPolarHBondContact O-CB 3.44Å; C79-Q83 PolarHBondContact O-N 2.82Å; K81-Q83 VanDerWaalsContact C-N 3.32Å; K81-Q83 PolarHBondContact O-N 3.48Å |
| 84 | R | 94.7 | Very high | 95.1 | Very high | 168 Ų | 168 | 80.4 Ų | 80.4 | 63% | 0.634 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -73.2 | -41.9 | 175.6 | -91.1 | -176.7 | -69.3 | 151.3 | -7.1 | 113.4 | E80 K81 V82 | E80-R84 PolarHBondContact O-N 3.48Å; E80-R84 PolarHBondContact O-NE 3.45Å; K81-R84 PolarHBondContact O-N 3.43Å; V82-R84 VanDerWaalsContact C-N 3.32Å; V82-R84 PolarHBondContact O-N 3.1Å |
| 85 | K | 94.9 | Very high | 95.3 | Very high | 79 Ų | 79 | 82.2 Ų | 82.2 | 34% | 0.343 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -83.1 | -23.8 | -177.4 | -72.1 | 179.8 | 175.5 | -98.7 | 0 | 113 | K81 V82 T87 T88 E92 E96 | K81-K85 HydrophobicContact CD-CD 4.34Å; K81-K85 HydrophobicContact CG-CD 4.2Å; K81-K85 PolarHBondContact O-N 3.22Å; V82-K85 PolarHBondContact O-N 2.93Å; K85-T87 VanDerWaalsContact C-N 3.32Å; K85-T87 PolarHBondContact O-N 2.86Å; K85-T88 WeakPolarHBondContact CD-OG1 3.19Å; K85-E92 IonicContact NZ-OE1 3.62Å; K85-E92 PolarHBondContact NZ-OE1 2.69Å; K85-E96 VanDerWaalsContact CE-CD 3.46Å; K85-E96 WeakPolarHBondContact CE-OE1 3.49Å; K85-E96 WeakPolarHBondContact CE-OE2 3.33Å; K85-E96 IonicContact NZ-OE1 2.63Å; K85-E96 PolarHBondContact NZ-OE1 3.17Å; K85-E96 IonicContact NZ-OE2 2.69Å |
| 86 | G | 94.6 | Very high | 95.3 | Very high | 51 Ų | 51 | 81.5 Ų | 81.5 | 53% | 0.526 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 75.9 | -75.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V82 | V82-G86 WeakPolarHBondContact O-CA 3.41Å; V82-G86 PolarHBondContact O-N 3.5Å |
| 87 | T | 95.4 | Very high | 95.4 | Very high | 140 Ų | 140 | 77.8 Ų | 77.8 | 86% | 0.859 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -111.7 | 120.4 | 175 | -55.5 | 0 | 0 | 0 | 0 | 109 | K85 | K85-T87 VanDerWaalsContact C-N 3.32Å; K85-T87 PolarHBondContact O-N 2.86Å |
| 88 | T | 96.6 | Very high | 95.3 | Very high | 36 Ų | 36 | 79 Ų | 79 | 22% | 0.221 | 42% | 0.421 | C | S | . | . | trans | -148.3 | 157 | -175 | -172.2 | 0 | 0 | 0 | 0 | 109.7 | V82 K85 E92 V93 | V82-T88 HydrophobicContact CB-CG2 4.29Å; V82-T88 HydrophobicContact CG1-CG2 4.42Å; V82-T88 HydrophobicContact CG2-CG2 3.74Å; K85-T88 WeakPolarHBondContact CD-OG1 3.19Å; T88-E92 PolarHBondContact OG1-OE2 3.47Å; T88-V93 HydrophobicContact CG2-CG2 3.42Å; T88-V93 VanDerWaalsContact CG2-CG2 3.42Å; T88-V93 WeakPolarHBondContact OG1-CG2 3.15Å | ||
| 89 | S | 97.4 | Very high | 95.1 | Very high | 62 Ų | 62 | 79.2 Ų | 79.2 | 43% | 0.434 | 42% | 0.424 | S | S | . | . | trans | -95.8 | 158.6 | 176.6 | 78.3 | 0 | 0 | 0 | 0 | 112.5 | E92 V93 | S89-E92 PolarHBondContact O-N 3.35Å; S89-E92 WeakPolarHBondContact OG-CB 3.37Å; S89-E92 PolarHBondContact OG-N 3.17Å; S89-V93 WeakPolarHBondContact O-CG2 3.31Å; S89-V93 PolarHBondContact O-N 3.01Å | ||
| 90 | Y | 96.4 | Very high | 94.9 | Very high | 188 Ų | 188 | 78.7 Ų | 78.7 | 74% | 0.737 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -58.2 | -50 | 177.1 | 169.8 | -100.6 | 0 | 0 | 0 | 112.2 | E92 V93 A94 | Y90-E92 VanDerWaalsContact C-N 3.3Å; Y90-E92 PolarHBondContact O-N 3.44Å; Y90-V93 PolarHBondContact O-N 3.44Å; Y90-A94 HydrophobicContact CE1-CB 4.41Å; Y90-A94 VanDerWaalsContact O-CB 3.3Å; Y90-A94 WeakPolarHBondContact O-CB 3.35Å; Y90-A94 PolarHBondContact O-N 3.17Å |
| 91 | N | 96.6 | Very high | 94.5 | Very high | 108 Ų | 108 | 78.2 Ų | 78.2 | 58% | 0.578 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -59.1 | -44.6 | -177.8 | -68.9 | -3.2 | 0 | 0 | 0 | 110.7 | V93 A94 D95 | N91-V93 PolarHBondContact O-N 2.91Å; N91-A94 PolarHBondContact O-N 3.11Å; N91-D95 WeakPolarHBondContact O-CB 3.42Å; N91-D95 PolarHBondContact O-N 3.29Å |
| 92 | E | 95.1 | Very high | 94.1 | Very high | 74 Ų | 74 | 81.5 Ų | 81.5 | 35% | 0.346 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.5 | -46.7 | 177.3 | -177.3 | -173.2 | 170.7 | 0 | 0 | 112.5 | K85 T88 S89 Y90 A94 E96 | K85-E92 IonicContact NZ-OE1 3.62Å; K85-E92 PolarHBondContact NZ-OE1 2.69Å; T88-E92 PolarHBondContact OG1-OE2 3.47Å; S89-E92 PolarHBondContact O-N 3.35Å; S89-E92 WeakPolarHBondContact OG-CB 3.37Å; S89-E92 PolarHBondContact OG-N 3.17Å; Y90-E92 VanDerWaalsContact C-N 3.3Å; Y90-E92 PolarHBondContact O-N 3.44Å; E92-A94 VanDerWaalsContact C-N 3.35Å; E92-E96 WeakPolarHBondContact O-CB 3.14Å; E92-E96 WeakPolarHBondContact O-CG 3.28Å; E92-E96 PolarHBondContact O-N 3.11Å; E92-E96 VanDerWaalsContact O-N 3.11Å |
| 93 | V | 95.9 | Very high | 93.3 | Very high | 8 Ų | 8 | 84 Ų | 84 | 5% | 0.048 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 176.9 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | V78 K81 V82 T88 S89 Y90 N91 L97 | V78-V93 HydrophobicContact CB-CG1 4.49Å; V78-V93 HydrophobicContact CG1-CG1 4.33Å; V78-V93 HydrophobicContact CG2-CG1 4.07Å; K81-V93 HydrophobicContact CB-CG1 4.35Å; K81-V93 HydrophobicContact CG-CG1 4.33Å; K81-V93 HydrophobicContact CG-CG2 4.19Å; V82-V93 HydrophobicContact CG2-CG2 4.41Å; T88-V93 HydrophobicContact CG2-CG2 3.42Å; T88-V93 VanDerWaalsContact CG2-CG2 3.42Å; T88-V93 WeakPolarHBondContact OG1-CG2 3.15Å; S89-V93 WeakPolarHBondContact O-CG2 3.31Å; S89-V93 PolarHBondContact O-N 3.01Å; Y90-V93 PolarHBondContact O-N 3.44Å; N91-V93 PolarHBondContact O-N 2.91Å; V93-L97 HydrophobicContact CG1-CD1 3.82Å; V93-L97 HydrophobicContact CG1-CG 4.25Å; V93-L97 WeakPolarHBondContact O-CB 3.2Å; V93-L97 WeakPolarHBondContact O-CG 3.35Å; V93-L97 PolarHBondContact O-N 3.35Å |
| 94 | A | 95 | Very high | 92.3 | Very high | 24 Ų | 24 | 79 Ų | 79 | 20% | 0.198 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.2 | -49.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y90 N91 E92 E96 L97 V98 | Y90-A94 HydrophobicContact CE1-CB 4.41Å; Y90-A94 VanDerWaalsContact O-CB 3.3Å; Y90-A94 WeakPolarHBondContact O-CB 3.35Å; Y90-A94 PolarHBondContact O-N 3.17Å; N91-A94 PolarHBondContact O-N 3.11Å; E92-A94 VanDerWaalsContact C-N 3.35Å; A94-E96 VanDerWaalsContact C-N 3.34Å; A94-E96 PolarHBondContact O-N 3.11Å; A94-L97 PolarHBondContact O-N 3.43Å; A94-V98 WeakPolarHBondContact O-CB 3.46Å; A94-V98 VanDerWaalsContact O-CG2 3.23Å; A94-V98 WeakPolarHBondContact O-CG2 2.84Å; A94-V98 PolarHBondContact O-N 2.89Å |
| 95 | D | 95.6 | Very high | 90.8 | Very high | 109 Ų | 109 | 74.7 Ų | 74.7 | 58% | 0.583 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.8 | -42.5 | -178.9 | -67.6 | -23.2 | 0 | 0 | 0 | 111.2 | N91 V98 S99 | N91-D95 WeakPolarHBondContact O-CB 3.42Å; N91-D95 PolarHBondContact O-N 3.29Å; D95-V98 PolarHBondContact O-N 2.97Å; D95-S99 WeakPolarHBondContact O-CB 3.41Å; D95-S99 PolarHBondContact O-N 2.78Å |
| 96 | E | 94.1 | Very high | 89 | Confident | 56 Ų | 56 | 76.7 Ų | 76.7 | 26% | 0.262 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 176 | -74 | -175.8 | -170.9 | 0 | 0 | 112.5 | K81 K85 E92 A94 V98 S99 E100 | K81-E96 WeakPolarHBondContact CD-OE2 3.25Å; K81-E96 WeakPolarHBondContact CE-OE2 3.5Å; K81-E96 IonicContact NZ-OE2 3.47Å; K81-E96 PolarHBondContact NZ-OE2 3.15Å; K85-E96 VanDerWaalsContact CE-CD 3.46Å; K85-E96 WeakPolarHBondContact CE-OE1 3.49Å; K85-E96 WeakPolarHBondContact CE-OE2 3.33Å; K85-E96 IonicContact NZ-OE1 2.63Å; K85-E96 PolarHBondContact NZ-OE1 3.17Å; K85-E96 IonicContact NZ-OE2 2.69Å; E92-E96 WeakPolarHBondContact O-CB 3.14Å; E92-E96 WeakPolarHBondContact O-CG 3.28Å; E92-E96 PolarHBondContact O-N 3.11Å; E92-E96 VanDerWaalsContact O-N 3.11Å; A94-E96 VanDerWaalsContact C-N 3.34Å; A94-E96 PolarHBondContact O-N 3.11Å; E96-V98 VanDerWaalsContact C-N 3.34Å; E96-S99 PolarHBondContact O-N 3.08Å; E96-E100 WeakPolarHBondContact O-CB 3.42Å; E96-E100 VanDerWaalsContact O-CG 3.31Å; E96-E100 WeakPolarHBondContact O-CG 3.3Å; E96-E100 PolarHBondContact O-N 3.47Å |
| 97 | L | 93.6 | Very high | 87.2 | Confident | 15 Ų | 15 | 80.8 Ų | 80.8 | 8% | 0.079 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -67 | -36.8 | 178.6 | -71.7 | -179.6 | 0 | 0 | 0 | 112.2 | K77 V78 V93 A94 F101 | K77-L97 HydrophobicContact CB-CD1 4.32Å; K77-L97 HydrophobicContact CB-CD2 3.59Å; K77-L97 HydrophobicContact CG-CD2 3.56Å; V78-L97 HydrophobicContact CB-CD1 4.46Å; V78-L97 HydrophobicContact CG2-CD1 3.46Å; V78-L97 VanDerWaalsContact CG2-CD1 3.46Å; V93-L97 HydrophobicContact CG1-CD1 3.82Å; V93-L97 HydrophobicContact CG1-CG 4.25Å; V93-L97 WeakPolarHBondContact O-CB 3.2Å; V93-L97 WeakPolarHBondContact O-CG 3.35Å; V93-L97 PolarHBondContact O-N 3.35Å; A94-L97 PolarHBondContact O-N 3.43Å; L97-F101 WeakPolarHBondContact O-CB 3.49Å; L97-F101 PolarHBondContact O-N 3.35Å |
| 98 | V | 92.3 | Very high | 85.2 | Confident | 91 Ų | 91 | 79.7 Ų | 79.7 | 55% | 0.552 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.9 | -44.5 | 175.5 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | A94 D95 E96 F101 T102 | A94-V98 WeakPolarHBondContact O-CB 3.46Å; A94-V98 VanDerWaalsContact O-CG2 3.23Å; A94-V98 WeakPolarHBondContact O-CG2 2.84Å; A94-V98 PolarHBondContact O-N 2.89Å; D95-V98 PolarHBondContact O-N 2.97Å; E96-V98 VanDerWaalsContact C-N 3.34Å; V98-F101 PolarHBondContact O-N 2.87Å; V98-T102 HydrophobicContact CG1-CG2 4.37Å; V98-T102 WeakPolarHBondContact O-CB 3.23Å; V98-T102 VanDerWaalsContact O-CG2 3.32Å; V98-T102 WeakPolarHBondContact O-CG2 3.21Å; V98-T102 PolarHBondContact O-N 3.07Å; V98-T102 PolarHBondContact O-OG1 3Å |
| 99 | S | 92.4 | Very high | 83 | Confident | 61 Ų | 61 | 81.8 Ų | 81.8 | 43% | 0.427 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 176 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | D95 E96 F101 T102 N103 | D95-S99 WeakPolarHBondContact O-CB 3.41Å; D95-S99 PolarHBondContact O-N 2.78Å; E96-S99 PolarHBondContact O-N 3.08Å; S99-F101 PolarHBondContact O-N 3.04Å; S99-T102 PolarHBondContact O-OG1 3.3Å; S99-N103 WeakPolarHBondContact O-CB 3.44Å; S99-N103 PolarHBondContact O-N 3.14Å; S99-N103 VanDerWaalsContact O-N 3.11Å; S99-N103 PolarHBondContact O-ND2 2.92Å |
| 100 | E | 90.3 | Very high | 80.7 | Confident | 74 Ų | 74 | 83 Ų | 83 | 35% | 0.346 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 176.4 | -76.4 | 174.9 | -159.9 | 0 | 0 | 111.4 | K81 E96 N103 S104 | K81-E100 IonicContact NZ-OE1 2.68Å; K81-E100 PolarHBondContact NZ-OE1 3.1Å; E96-E100 WeakPolarHBondContact O-CB 3.42Å; E96-E100 VanDerWaalsContact O-CG 3.31Å; E96-E100 WeakPolarHBondContact O-CG 3.3Å; E96-E100 PolarHBondContact O-N 3.47Å; E100-N103 PolarHBondContact O-N 2.71Å; E100-S104 WeakPolarHBondContact O-CB 3.33Å; E100-S104 PolarHBondContact O-N 3.21Å; E100-S104 PolarHBondContact O-OG 2.8Å |
| 101 | F | 86.3 | Confident | 78.3 | Confident | 64 Ų | 64 | 80.5 Ų | 80.5 | 28% | 0.281 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.3 | -40.9 | -177.7 | -174.3 | -97.5 | 0 | 0 | 0 | 112.9 | K69 F74 L97 V98 S99 S104 N105 | K69-F101 HydrophobicContact CB-CZ 4.38Å; K69-F101 HydrophobicContact CD-CE2 4.26Å; K69-F101 HydrophobicContact CD-CZ 3.67Å; K69-F101 HydrophobicContact CG-CE2 3.95Å; K69-F101 HydrophobicContact CG-CZ 3.78Å; F74-F101 HydrophobicContact CE1-CD2 4.4Å; F74-F101 HydrophobicContact CZ-CD2 4.4Å; F74-F101 HydrophobicContact CZ-CE2 4.32Å; L97-F101 WeakPolarHBondContact O-CB 3.49Å; L97-F101 PolarHBondContact O-N 3.35Å; V98-F101 PolarHBondContact O-N 2.87Å; S99-F101 PolarHBondContact O-N 3.04Å; F101-S104 PolarHBondContact O-N 3.25Å; F101-N105 WeakPolarHBondContact O-CB 3.14Å; F101-N105 PolarHBondContact O-N 3.33Å; F101-N105 VanDerWaalsContact O-N 3.08Å |
| 102 | T | 87.3 | Confident | 75.7 | Confident | 78 Ų | 78 | 83.5 Ų | 83.5 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 176.4 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | V98 S99 | V98-T102 HydrophobicContact CG1-CG2 4.37Å; V98-T102 WeakPolarHBondContact O-CB 3.23Å; V98-T102 VanDerWaalsContact O-CG2 3.32Å; V98-T102 WeakPolarHBondContact O-CG2 3.21Å; V98-T102 PolarHBondContact O-N 3.07Å; V98-T102 PolarHBondContact O-OG1 3Å; S99-T102 PolarHBondContact O-OG1 3.3Å |
| 103 | N | 79.9 | Confident | 74.8 | Confident | 108 Ų | 108 | 84 Ų | 84 | 58% | 0.578 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -72.7 | -38.7 | 174.8 | -75.9 | -45.5 | 0 | 0 | 0 | 113.3 | S99 E100 N105 N106 | S99-N103 WeakPolarHBondContact O-CB 3.44Å; S99-N103 PolarHBondContact O-N 3.14Å; S99-N103 VanDerWaalsContact O-N 3.11Å; S99-N103 PolarHBondContact O-ND2 2.92Å; E100-N103 PolarHBondContact O-N 2.71Å; N103-N105 VanDerWaalsContact C-N 3.34Å; N103-N105 PolarHBondContact O-N 3.01Å; N103-N106 PolarHBondContact O-N 3.38Å |
| 104 | S | 73.1 | Confident | 73.7 | Confident | 65 Ų | 65 | 88 Ų | 88 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.3 | -27.9 | -178.6 | -58.3 | 0 | 0 | 0 | 0 | 112.9 | E100 F101 N106 H107 | E100-S104 WeakPolarHBondContact O-CB 3.33Å; E100-S104 PolarHBondContact O-N 3.21Å; E100-S104 PolarHBondContact O-OG 2.8Å; F101-S104 PolarHBondContact O-N 3.25Å; S104-N106 PolarHBondContact O-N 2.68Å; S104-H107 PolarHBondContact O-N 2.77Å; S104-H107 VanDerWaalsContact O-N 3.09Å |
| 105 | N | 64.1 | Low | 72.5 | Confident | 77 Ų | 77 | 91.6 Ų | 91.6 | 41% | 0.412 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.9 | 178.6 | -165.6 | 58.6 | 0 | 0 | 0 | 112.9 | K69 F101 N103 | K69-N105 PolarHBondContact NZ-OD1 3.08Å; F101-N105 WeakPolarHBondContact O-CB 3.14Å; F101-N105 PolarHBondContact O-N 3.33Å; F101-N105 VanDerWaalsContact O-N 3.08Å; N103-N105 VanDerWaalsContact C-N 3.34Å; N103-N105 PolarHBondContact O-N 3.01Å |
| 106 | N | 57.8 | Low | 71.1 | Confident | 122 Ų | 122 | 90.5 Ų | 90.5 | 65% | 0.652 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -22.7 | 172.9 | -74.3 | -35.8 | 0 | 0 | 0 | 113.3 | N103 S104 | N103-N106 PolarHBondContact O-N 3.38Å; S104-N106 PolarHBondContact O-N 2.68Å |
| 107 | H | 55.6 | Low | 69.7 | Low | 136 Ų | 136 | 92.7 Ų | 92.7 | 63% | 0.63 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -29.8 | -176.4 | -163.4 | -76.7 | 0 | 0 | 0 | 113 | S104 A109 A110 | S104-H107 PolarHBondContact O-N 2.77Å; S104-H107 VanDerWaalsContact O-N 3.09Å; H107-A109 VanDerWaalsContact C-N 3.29Å; H107-A109 PolarHBondContact O-N 2.8Å; H107-A110 PolarHBondContact O-N 3.36Å |
| 108 | L | 54.1 | Low | 68.1 | Low | 118 Ų | 118 | 97.9 Ų | 97.9 | 62% | 0.618 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -15.4 | 178.7 | -66.7 | 177.5 | 0 | 0 | 0 | 113.7 | ||
| 109 | A | 49.8 | Very low | 66.4 | Low | 80 Ų | 80 | 98.4 Ų | 98.4 | 66% | 0.661 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -12 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | H107 | H107-A109 VanDerWaalsContact C-N 3.29Å; H107-A109 PolarHBondContact O-N 2.8Å |
| 110 | A | 50 | Low | 64.4 | Low | 88 Ų | 88 | 101.2 Ų | 101.2 | 73% | 0.727 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -97.2 | -4.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | H107 | H107-A110 PolarHBondContact O-N 3.36Š|
| 111 | D | 45.1 | Very low | 62.2 | Low | 134 Ų | 134 | 103.5 Ų | 103.5 | 72% | 0.717 | 62% | 0.618 | S | S | * | * | trans | -118.9 | 38.1 | -178.2 | -128.7 | -39.2 | 0 | 0 | 0 | 111 | ||||
| 112 | S | 43.4 | Very low | 60 | Low | 172 Ų | 172 | 107.1 Ų | 107.1 | 100% | 1.203 | 65% | 0.648 | S | S | * | * | trans | -140.9 | 0 | 172.1 | -69.5 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 112 of 112 residues in 106.7 ms
(Link to these results)