| 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 | 40.3 | Very low | 42.5 | Very low | 244 Ų | 244 | 149.4 Ų | 149.4 | 100% | 1.202 | 81% | 0.814 | S | S | * | * | 0 | 93.4 | 0 | -72.8 | 155.7 | 170.7 | 0 | 0 | 105.6 | |||||
| 2 | K | 42.8 | Very low | 42.5 | Very low | 196 Ų | 196 | 145.4 Ų | 145.4 | 85% | 0.852 | 81% | 0.806 | S | S | * | * | 73.4 | 123.9 | 91.1 | -127.5 | -173.2 | 178.1 | -161.4 | 0 | 112.2 | |||||
| 3 | G | 40.3 | Very low | 42.6 | Very low | 64 Ų | 64 | 152.5 Ų | 152.5 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | trans | 141.7 | 78.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 4 | E | 41.2 | Very low | 42.8 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 71% | 0.71 | 82% | 0.818 | S | S | * | * | 64.9 | 99.7 | 75.4 | -59.8 | -179.2 | 102.6 | 0 | 0 | 111.2 | |||||
| 5 | L | 41.8 | Very low | 42.3 | Very low | 142 Ų | 142 | 145.3 Ų | 145.3 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | 74 | 120.3 | 100.9 | -83.1 | 161.7 | 0 | 0 | 0 | 114 | |||||
| 6 | M | 54.6 | Low | 42.4 | Very low | 194 Ų | 194 | 145 Ų | 145 | 96% | 0.956 | 81% | 0.814 | S | S | * | * | trans | -167.9 | 123.8 | 130.8 | -100.4 | 164.6 | -177.8 | 0 | 0 | 111 | ||||
| 7 | D | 37.1 | Very low | 42.6 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -62.9 | 154.1 | 176.8 | -62.5 | -94.7 | 0 | 0 | 0 | 114.5 | ||||
| 8 | G | 40.2 | Very low | 42.4 | Very low | 79 Ų | 79 | 140.3 Ų | 140.3 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -161.7 | 86.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 9 | D | 38.9 | Very low | 42.3 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 68% | 0.679 | 81% | 0.812 | S | S | * | * | trans | -58.6 | 140 | -179.8 | -164.9 | -86.5 | 0 | 0 | 0 | 113.7 | ||||
| 10 | Q | 44.3 | Very low | 42.1 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -163.7 | 91.7 | 141.9 | -103.2 | 158.2 | 109.8 | 0 | 0 | 109 | ||||
| 11 | T | 46.2 | Very low | 41.8 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 64% | 0.638 | 81% | 0.808 | S | S | * | * | trans | 0.6 | 115.3 | 146.7 | 47.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 12 | S | 42.6 | Very low | 41.9 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | 55.2 | 129.2 | 73.8 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 13 | R | 43.6 | Very low | 41.6 | Very low | 237 Ų | 237 | 135.5 Ų | 135.5 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | cis | -175.5 | 148.5 | 26.1 | -116 | 162.5 | 172.7 | -176.3 | -5.1 | 108.6 | ||||
| 14 | S | 44.7 | Very low | 41.8 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -57.3 | 140.7 | 159.3 | -49.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 15 | G | 35.8 | Very low | 41.6 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -141.9 | 107.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 16 | V | 44.8 | Very low | 41.8 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -63.8 | 152.5 | 155.4 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 17 | P | 44.4 | Very low | 41.2 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | trans | -131 | 138.7 | 140.5 | 28.7 | -12 | 0 | 0 | 0 | 113.3 | ||||
| 18 | A | 39 | Very low | 41.4 | Very low | 84 Ų | 84 | 132.9 Ų | 132.9 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | trans | -79.5 | 157.2 | 155 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 19 | Q | 40.4 | Very low | 42 | Very low | 197 Ų | 197 | 134.7 Ų | 134.7 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | 179.1 | 124.1 | 129.5 | -97.1 | 168.1 | -21.9 | 0 | 0 | 113.2 | |||||
| 20 | V | 38.2 | Very low | 42.4 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 75% | 0.745 | 79% | 0.79 | S | S | * | * | trans | -71.4 | 153 | 151.3 | -84.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 21 | Q | 37.4 | Very low | 42.6 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | 174.6 | 130.3 | 67.5 | -127.1 | 161.1 | 32.5 | 0 | 0 | 107 | |||||
| 22 | S | 42.2 | Very low | 42.8 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | 84.5 | 135.7 | 103 | 68.2 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 23 | E | 35.3 | Very low | 43.2 | Very low | 176 Ų | 176 | 138.7 Ų | 138.7 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | 123 | 101.9 | 143.2 | -60.2 | -167 | 145.7 | 0 | 0 | 119.6 | ||||
| 24 | I | 45.8 | Very low | 43.6 | Very low | 153 Ų | 153 | 134.6 Ų | 134.6 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 19 | 132.9 | 138.1 | 59.5 | 134.9 | 0 | 0 | 0 | 122.9 | ||||
| 25 | T | 35.8 | Very low | 43.9 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | -155.7 | 128.3 | 123.6 | 52.7 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 26 | S | 46.8 | Very low | 44.6 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -69.9 | 145.2 | 172 | -50.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 27 | A | 40.8 | Very low | 45 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -145.1 | 103.4 | 152 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 28 | N | 41.6 | Very low | 45.2 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -75.3 | 129 | 156.7 | -64.5 | -28.6 | 0 | 0 | 0 | 106.4 | ||||
| 29 | T | 52.6 | Low | 45.8 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | -120.8 | 108.8 | 150.3 | 47 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 30 | E | 47.7 | Very low | 46.1 | Very low | 178 Ų | 178 | 141.3 Ų | 141.3 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -66 | 116.6 | 155.6 | -64.7 | 163.7 | 161.7 | 0 | 0 | 105.1 | ||||
| 31 | D | 48.1 | Very low | 46.8 | Very low | 129 Ų | 129 | 142 Ų | 142 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | trans | -126.7 | 96.6 | 162.8 | -71.3 | -54.7 | 0 | 0 | 0 | 105.5 | ||||
| 32 | D | 50.6 | Low | 47.2 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | trans | -61.4 | 116.7 | 155.5 | -70.8 | -60 | 0 | 0 | 0 | 107.2 | ||||
| 33 | D | 51.2 | Low | 47.7 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | trans | -129.9 | 103.6 | 156.9 | -79.2 | -48 | 0 | 0 | 0 | 106.8 | D35 | D33-D35 PolarHBondContact O-N 3.29Š| ||
| 34 | D | 53.2 | Low | 48.1 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -51.8 | 112.2 | 158.1 | -72.8 | -62.6 | 0 | 0 | 0 | 108.3 | ||||
| 35 | D | 49.9 | Very low | 48 | Very low | 158 Ų | 158 | 145 Ų | 145 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -103.4 | 100.8 | 160.4 | -92.2 | -38.7 | 0 | 0 | 0 | 107.2 | D33 D37 | D33-D35 PolarHBondContact O-N 3.29Å; D35-D37 PolarHBondContact O-N 3.37Å | ||
| 36 | D | 51.3 | Low | 48 | Very low | 133 Ų | 133 | 146 Ų | 146 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -43.6 | 121.7 | 171.7 | -76.9 | -59.4 | 0 | 0 | 0 | 111.3 | E38 | D36-E38 HydrophobicContact CB-CG 4.25Å; D36-E38 PolarHBondContact O-N 2.93Å | ||
| 37 | D | 53.1 | Low | 47.9 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | -65.1 | 78.6 | 157.1 | -78.4 | -51.5 | 0 | 0 | 0 | 107.8 | D35 D39 | D35-D37 PolarHBondContact O-N 3.37Å; D37-D39 PolarHBondContact O-N 2.84Å | ||
| 38 | E | 48.7 | Very low | 48.1 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -71.9 | 80.3 | 161.6 | -73.2 | -171.8 | 165.1 | 0 | 0 | 107.8 | D36 D40 | D36-E38 HydrophobicContact CB-CG 4.25Å; D36-E38 PolarHBondContact O-N 2.93Å; E38-D40 PolarHBondContact O-N 2.87Å | ||
| 39 | D | 50.7 | Low | 47.9 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | -60.4 | 83.3 | 154.5 | -83.7 | -39.7 | 0 | 0 | 0 | 107.3 | D37 D41 | D37-D39 PolarHBondContact O-N 2.84Å; D39-D41 PolarHBondContact O-N 2.85Å | ||
| 40 | D | 48.2 | Very low | 47.5 | Very low | 128 Ų | 128 | 155.4 Ų | 155.4 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | trans | -74.7 | 73.9 | 170.4 | -139 | -5.2 | 0 | 0 | 0 | 107.8 | E38 D42 | E38-D40 PolarHBondContact O-N 2.87Å; D40-D42 PolarHBondContact O-N 2.94Å | ||
| 41 | D | 51.6 | Low | 47.3 | Very low | 139 Ų | 139 | 154.4 Ų | 154.4 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -66.5 | 79.4 | 161.2 | -93.4 | -38.6 | 0 | 0 | 0 | 107.7 | D39 E43 | D39-D41 PolarHBondContact O-N 2.85Å; D41-E43 PolarHBondContact O-N 3Å | ||
| 42 | D | 45.8 | Very low | 47.4 | Very low | 136 Ų | 136 | 153.6 Ų | 153.6 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -67.9 | 80.2 | 161.4 | -92.6 | -39.8 | 0 | 0 | 0 | 108.5 | D40 E44 | D40-D42 PolarHBondContact O-N 2.94Å; D42-E44 PolarHBondContact O-N 2.83Å | ||
| 43 | E | 52.8 | Low | 47.2 | Very low | 162 Ų | 162 | 149.9 Ų | 149.9 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | trans | -66.9 | 81.5 | 159.9 | -76.2 | -168.5 | 137.7 | 0 | 0 | 109.2 | D41 E45 | D41-E43 PolarHBondContact O-N 3Å; E43-E45 PolarHBondContact O-N 3.33Å | ||
| 44 | E | 45 | Very low | 46.8 | Very low | 190 Ų | 190 | 150.6 Ų | 150.6 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -83.2 | 95.8 | 152.4 | -82.9 | -145 | 160.4 | 0 | 0 | 109.5 | D42 N46 | D42-E44 PolarHBondContact O-N 2.83Å; E44-N46 PolarHBondContact O-N 3.3Å | ||
| 45 | E | 42.8 | Very low | 46.5 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -56 | 117.5 | 169.9 | -59.9 | -168.6 | 168.7 | 0 | 0 | 111.4 | E43 | E43-E45 PolarHBondContact O-N 3.33Š| ||
| 46 | N | 35.8 | Very low | 46.5 | Very low | 160 Ų | 160 | 150 Ų | 150 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -117.2 | 89 | 148 | -149.1 | -44.4 | 0 | 0 | 0 | 107.7 | E44 E48 | E44-N46 PolarHBondContact O-N 3.3Å; N46-E48 PolarHBondContact O-N 3.03Å | ||
| 47 | A | 45.1 | Very low | 46.5 | Very low | 77 Ų | 77 | 152.5 Ų | 152.5 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | -70.2 | 115 | 176 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 48 | E | 45.1 | Very low | 47 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | -179.8 | 85.4 | 141.3 | -99 | 170.4 | 179.7 | 0 | 0 | 110.8 | N46 | N46-E48 PolarHBondContact O-N 3.03Š| ||
| 49 | D | 37 | Very low | 48.5 | Very low | 163 Ų | 163 | 152.6 Ų | 152.6 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | 175 | 125.8 | 121.6 | -160.9 | -100.6 | 0 | 0 | 0 | 110 | |||||
| 50 | R | 43.5 | Very low | 50.1 | Low | 242 Ų | 242 | 152.4 Ų | 152.4 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | -82.7 | 122.1 | -176.6 | -74.9 | 161.6 | 73.9 | -146.1 | 7.8 | 110.4 | ||||
| 51 | N | 43.2 | Very low | 52 | Low | 156 Ų | 156 | 146.7 Ų | 146.7 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | trans | -151.2 | 137.4 | 147.8 | -151.1 | 21.7 | 0 | 0 | 0 | 112.2 | ||||
| 52 | P | 50.2 | Low | 53.8 | Low | 112 Ų | 112 | 141.2 Ų | 141.2 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -94.1 | 147.4 | -167 | 35.4 | -26.2 | 0 | 0 | 0 | 113 | ||||
| 53 | G | 46.2 | Very low | 55.8 | Low | 73 Ų | 73 | 135.3 Ų | 135.3 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | trans | 73.4 | 83.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 54 | L | 42.8 | Very low | 57.4 | Low | 158 Ų | 158 | 132.7 Ų | 132.7 | 83% | 0.827 | 69% | 0.693 | S | S | * | * | trans | -156.2 | 114.7 | 141.5 | -83 | -179.7 | 0 | 0 | 0 | 106.3 | K56 | L54-K56 PolarHBondContact O-N 3.37Š| ||
| 55 | S | 47.1 | Very low | 59.3 | Low | 122 Ų | 122 | 128.2 Ų | 128.2 | 85% | 0.853 | 68% | 0.675 | S | S | * | * | trans | -65.1 | 78.8 | 166.2 | 50.4 | 0 | 0 | 0 | 0 | 108.5 | E57 | S55-E57 VanDerWaalsContact C-N 3.35Å; S55-E57 PolarHBondContact O-N 2.74Å | ||
| 56 | K | 50.1 | Low | 61.2 | Low | 177 Ų | 177 | 120.9 Ų | 120.9 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | trans | -63.9 | 103.1 | 161.9 | -83.2 | 178.2 | 175.8 | 173.2 | 0 | 105.1 | L54 R58 | L54-K56 PolarHBondContact O-N 3.37Å; K56-R58 VanDerWaalsContact C-N 3.34Å; K56-R58 PolarHBondContact O-N 3.05Å | ||
| 57 | E | 52 | Low | 63.2 | Low | 184 Ų | 184 | 118 Ų | 118 | 86% | 0.86 | 63% | 0.634 | S | S | * | * | trans | -46.1 | 105.6 | 162.1 | -88.9 | 163.5 | 74.8 | 0 | 0 | 107 | S55 V59 | S55-E57 VanDerWaalsContact C-N 3.35Å; S55-E57 PolarHBondContact O-N 2.74Å; E57-V59 VanDerWaalsContact C-N 3.34Å; E57-V59 PolarHBondContact O-N 2.92Å | ||
| 58 | R | 64.4 | Low | 65.1 | Low | 191 Ų | 191 | 116.4 Ų | 116.4 | 72% | 0.721 | 62% | 0.618 | S | S | * | * | trans | -68.3 | 101.3 | 177.1 | -72.8 | -167.8 | -176.6 | -164.1 | 4.2 | 105.7 | K56 R60 | K56-R58 VanDerWaalsContact C-N 3.34Å; K56-R58 PolarHBondContact O-N 3.05Å; R58-R60 PolarHBondContact O-N 3.3Å | ||
| 59 | V | 79.3 | Confident | 66.8 | Low | 132 Ų | 132 | 111.5 Ų | 111.5 | 80% | 0.8 | 60% | 0.598 | S | S | * | * | trans | -57.5 | 108.8 | 169.8 | -177.9 | 0 | 0 | 0 | 0 | 106.1 | E57 | E57-V59 VanDerWaalsContact C-N 3.34Å; E57-V59 PolarHBondContact O-N 2.92Å | ||
| 60 | R | 84.2 | Confident | 69.1 | Low | 138 Ų | 138 | 109.6 Ų | 109.6 | 52% | 0.521 | 59% | 0.588 | S | S | . | * | trans | -62.2 | 152.6 | -179.5 | -21.9 | 161.7 | 56.2 | 113.1 | -7.4 | 108.6 | R58 E82 R86 | R58-R60 PolarHBondContact O-N 3.3Å; R60-E82 WeakPolarHBondContact CA-OE2 3.32Å; R60-E82 HydrophobicContact CB-CG 4.41Å; R60-E82 WeakPolarHBondContact CB-OE2 3.44Å; R60-R86 VanDerWaalsContact CB-CZ 3.43Å; R60-R86 VanDerWaalsContact O-CZ 3.28Å; R60-R86 PolarHBondContact O-NH1 3.32Å; R60-R86 PolarHBondContact O-NH2 3.49Å | ||
| 61 | A | 87.1 | Confident | 71 | Confident | 8 Ų | 8 | 101.3 Ų | 101.3 | 7% | 0.066 | 56% | 0.561 | C | S | . | * | trans | -70 | 138.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | M75 Q79 E82 I83 R86 | A61-M75 HydrophobicContact CB-CE 4.03Å; A61-Q79 HydrophobicContact CB-CB 3.86Å; A61-Q79 HydrophobicContact CB-CG 4.06Å; A61-E82 HydrophobicContact CB-CB 4.35Å; A61-E82 PolarHBondContact N-OE2 3.23Å; A61-I83 HydrophobicContact CB-CD1 4.32Å; A61-I83 HydrophobicContact CB-CG1 3.95Å; A61-R86 VanDerWaalsContact O-CD 3.3Å; A61-R86 WeakPolarHBondContact O-CD 3.22Å; A61-R86 PolarHBondContact O-NH1 3.04Å | ||
| 62 | S | 90.5 | Very high | 73.1 | Confident | 23 Ų | 23 | 93.9 Ų | 93.9 | 16% | 0.161 | 52% | 0.522 | C | S | . | . | trans | -125.9 | 160.9 | -178.6 | 70.5 | 0 | 0 | 0 | 0 | 112.2 | S64 D65 | S62-S64 PolarHBondContact O-N 3.03Å; S62-S64 PolarHBondContact OG-OG 2.83Å; S62-D65 WeakPolarHBondContact CA-OD2 3.38Å; S62-D65 WeakPolarHBondContact CB-OD2 3.38Å; S62-D65 PolarHBondContact N-OD2 3.12Å; S62-D65 WeakPolarHBondContact O-CB 3.31Å; S62-D65 PolarHBondContact O-N 3.23Å; S62-D65 VanDerWaalsContact O-N 3.16Å; S62-D65 PolarHBondContact OG-OD1 2.91Å; S62-D65 PolarHBondContact OG-OD2 2.88Å | ||
| 63 | L | 87.9 | Confident | 74.9 | Confident | 13 Ų | 13 | 94.3 Ų | 94.3 | 7% | 0.068 | 51% | 0.514 | C | S | . | . | G | 310 helix | trans | -62 | -29.5 | 173.7 | -79.1 | 178.8 | 0 | 0 | 0 | 112.8 | D65 L66 I83 N87 L107 N111 | L63-D65 PolarHBondContact O-N 2.83Å; L63-L66 HydrophobicContact CD2-CD1 3.99Å; L63-L66 PolarHBondContact O-N 3.37Å; L63-I83 HydrophobicContact CD2-CG2 3.44Å; L63-I83 VanDerWaalsContact CD2-CG2 3.44Å; L63-I83 HydrophobicContact CG-CG2 3.83Å; L63-N87 VanDerWaalsContact CD1-CG 3.49Å; L63-N87 WeakPolarHBondContact CD1-ND2 3.34Å; L63-N87 WeakPolarHBondContact CD1-OD1 3.43Å; L63-N87 WeakPolarHBondContact CG-ND2 3.32Å; L63-L107 HydrophobicContact CD1-CD1 4.12Å; L63-L107 HydrophobicContact CD1-CD2 3.87Å; L63-L107 HydrophobicContact CD1-CG 3.71Å; L63-L107 HydrophobicContact CD2-CD2 3.86Å; L63-L107 HydrophobicContact CD2-CG 3.97Å; L63-L107 HydrophobicContact CG-CD2 4.16Å; L63-L107 HydrophobicContact CG-CG 4.37Å; L63-N111 HydrophobicContact CD1-CB 4.37Å |
| 64 | S | 85.9 | Confident | 76.8 | Confident | 107 Ų | 107 | 94 Ų | 94 | 75% | 0.748 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -69.1 | -14.1 | 177.5 | 37.2 | 0 | 0 | 0 | 0 | 113.9 | S62 L66 | S62-S64 PolarHBondContact O-N 3.03Å; S62-S64 PolarHBondContact OG-OG 2.83Å; S64-L66 VanDerWaalsContact C-N 3.27Å |
| 65 | D | 84.5 | Confident | 79 | Confident | 95 Ų | 95 | 87.2 Ų | 87.2 | 51% | 0.508 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -82.6 | -7 | 176.7 | -56.8 | -47.1 | 0 | 0 | 0 | 112.4 | S62 L63 | S62-D65 WeakPolarHBondContact CA-OD2 3.38Å; S62-D65 WeakPolarHBondContact CB-OD2 3.38Å; S62-D65 PolarHBondContact N-OD2 3.12Å; S62-D65 WeakPolarHBondContact O-CB 3.31Å; S62-D65 PolarHBondContact O-N 3.23Å; S62-D65 VanDerWaalsContact O-N 3.16Å; S62-D65 PolarHBondContact OG-OD1 2.91Å; S62-D65 PolarHBondContact OG-OD2 2.88Å; L63-D65 PolarHBondContact O-N 2.83Å |
| 66 | L | 82.5 | Confident | 81.2 | Confident | 13 Ų | 13 | 84 Ų | 84 | 7% | 0.068 | 45% | 0.452 | C | S | . | . | trans | -95.1 | 129.9 | -178.3 | -56.5 | 176.3 | 0 | 0 | 0 | 110.3 | L63 S64 D71 V72 M75 I83 V104 Y108 | L63-L66 HydrophobicContact CD2-CD1 3.99Å; L63-L66 PolarHBondContact O-N 3.37Å; S64-L66 VanDerWaalsContact C-N 3.27Å; L66-D71 HydrophobicContact CD2-CB 4.1Å; L66-V72 HydrophobicContact CD1-CG2 3.91Å; L66-V72 HydrophobicContact CD2-CG2 4.17Å; L66-M75 HydrophobicContact CD2-CE 4.12Å; L66-M75 HydrophobicContact CD2-SD 3.79Å; L66-I83 HydrophobicContact CD1-CD1 3.98Å; L66-I83 HydrophobicContact CD2-CD1 4.29Å; L66-I83 HydrophobicContact CG-CD1 4.23Å; L66-V104 HydrophobicContact CD1-CG1 3.95Å; L66-Y108 HydrophobicContact CB-CD2 3.77Å; L66-Y108 HydrophobicContact CB-CE2 3.71Å; L66-Y108 HydrophobicContact CD1-CD2 3.94Å | ||
| 67 | S | 79.2 | Confident | 83.3 | Confident | 101 Ų | 101 | 78.4 Ų | 78.4 | 71% | 0.706 | 43% | 0.433 | S | S | * | . | trans | -114.4 | -13.5 | 176.2 | -61 | 0 | 0 | 0 | 0 | 112.9 | D71 | S67-D71 PolarHBondContact N-OD2 2.88Š| ||
| 68 | S | 84.2 | Confident | 85.3 | Confident | 43 Ų | 43 | 76.4 Ų | 76.4 | 30% | 0.301 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -158.9 | 165.6 | -177.1 | 67.1 | 0 | 0 | 0 | 0 | 112 | D70 D71 | S68-D70 VanDerWaalsContact C-N 3.29Å; S68-D70 PolarHBondContact O-N 2.93Å; S68-D71 PolarHBondContact N-OD2 3.14Å; S68-D71 WeakPolarHBondContact O-CB 3.37Å; S68-D71 PolarHBondContact O-N 2.69Å; S68-D71 VanDerWaalsContact OG-CG 3.23Å; S68-D71 PolarHBondContact OG-N 3.06Å; S68-D71 PolarHBondContact OG-OD2 3.38Å |
| 69 | L | 82.2 | Confident | 86.6 | Confident | 91 Ų | 91 | 71 Ų | 71 | 48% | 0.476 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.1 | -30.1 | 175.2 | -60.5 | 177.6 | 0 | 0 | 0 | 112.4 | D71 V72 E73 N105 Y108 | L69-D71 VanDerWaalsContact C-N 3.25Å; L69-D71 PolarHBondContact O-N 3.18Å; L69-V72 WeakPolarHBondContact O-CB 3.48Å; L69-V72 PolarHBondContact O-N 3.26Å; L69-V72 VanDerWaalsContact O-N 3.14Å; L69-E73 PolarHBondContact O-N 3.24Å; L69-N105 HydrophobicContact CD2-CB 4.35Å; L69-N105 WeakPolarHBondContact CD2-OD1 3.26Å; L69-Y108 HydrophobicContact CD2-CD1 4.13Å |
| 70 | D | 84.1 | Confident | 87.4 | Confident | 123 Ų | 123 | 64.7 Ų | 64.7 | 66% | 0.658 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.1 | -32.5 | 174.5 | -76.3 | -98.1 | 0 | 0 | 0 | 112.3 | S68 V72 E73 G74 | S68-D70 VanDerWaalsContact C-N 3.29Å; S68-D70 PolarHBondContact O-N 2.93Å; D70-V72 PolarHBondContact O-N 3.22Å; D70-E73 PolarHBondContact O-N 3.47Å; D70-G74 PolarHBondContact O-N 3.41Å |
| 71 | D | 84.2 | Confident | 87.9 | Confident | 68 Ų | 68 | 62.2 Ų | 62.2 | 36% | 0.364 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -34.9 | 176.4 | -60.7 | -45.8 | 0 | 0 | 0 | 111.3 | L66 S67 S68 L69 G74 M75 | L66-D71 HydrophobicContact CD2-CB 4.1Å; S67-D71 PolarHBondContact N-OD2 2.88Å; S68-D71 PolarHBondContact N-OD2 3.14Å; S68-D71 WeakPolarHBondContact O-CB 3.37Å; S68-D71 PolarHBondContact O-N 2.69Å; S68-D71 VanDerWaalsContact OG-CG 3.23Å; S68-D71 PolarHBondContact OG-N 3.06Å; S68-D71 PolarHBondContact OG-OD2 3.38Å; L69-D71 VanDerWaalsContact C-N 3.25Å; L69-D71 PolarHBondContact O-N 3.18Å; D71-G74 PolarHBondContact O-N 3.06Å; D71-M75 WeakPolarHBondContact O-CG 3.49Å; D71-M75 PolarHBondContact O-N 3.15Å |
| 72 | V | 86.2 | Confident | 88.3 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | 179.3 | -173.5 | 0 | 0 | 0 | 0 | 110.9 | L66 L69 D70 G74 M75 L80 V101 V104 N105 | L66-V72 HydrophobicContact CD1-CG2 3.91Å; L66-V72 HydrophobicContact CD2-CG2 4.17Å; L69-V72 WeakPolarHBondContact O-CB 3.48Å; L69-V72 PolarHBondContact O-N 3.26Å; L69-V72 VanDerWaalsContact O-N 3.14Å; D70-V72 PolarHBondContact O-N 3.22Å; V72-G74 VanDerWaalsContact C-N 3.3Å; V72-G74 PolarHBondContact O-N 2.84Å; V72-M75 PolarHBondContact O-N 3.23Å; V72-L80 HydrophobicContact CG1-CD2 3.82Å; V72-V101 HydrophobicContact CG1-CB 4.45Å; V72-V101 HydrophobicContact CG1-CG1 4.06Å; V72-V104 HydrophobicContact CG1-CB 3.79Å; V72-V104 HydrophobicContact CG1-CG1 3.58Å; V72-V104 HydrophobicContact CG2-CG1 4.12Å; V72-N105 WeakPolarHBondContact CB-OD1 3.31Å; V72-N105 WeakPolarHBondContact CG1-OD1 3.37Å; V72-N105 WeakPolarHBondContact CG2-OD1 3.24Å |
| 73 | E | 87.9 | Confident | 88.4 | Confident | 121 Ų | 121 | 61.8 Ų | 61.8 | 57% | 0.565 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.4 | -35.1 | 177.5 | -65.7 | -172.6 | -174.3 | 0 | 0 | 112.1 | L69 D70 M75 K97 V101 | L69-E73 PolarHBondContact O-N 3.24Å; D70-E73 PolarHBondContact O-N 3.47Å; E73-M75 VanDerWaalsContact C-N 3.3Å; E73-M75 PolarHBondContact O-N 2.75Å; E73-K97 WeakPolarHBondContact O-CE 3.47Å; E73-K97 PolarHBondContact O-NZ 2.78Å; E73-V101 HydrophobicContact CG-CG1 4.28Å |
| 74 | G | 87.3 | Confident | 88.8 | Confident | 66 Ų | 66 | 61.2 Ų | 61.2 | 68% | 0.68 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -73 | -13.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D70 D71 V72 | D70-G74 PolarHBondContact O-N 3.41Å; D71-G74 PolarHBondContact O-N 3.06Å; V72-G74 VanDerWaalsContact C-N 3.3Å; V72-G74 PolarHBondContact O-N 2.84Å |
| 75 | M | 88.2 | Confident | 89.2 | Confident | 16 Ų | 16 | 58 Ų | 58 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -70.2 | 151.3 | -176.4 | -57.4 | -164.2 | 97.3 | 0 | 0 | 113.3 | A61 L66 D71 V72 E73 Q79 L80 I83 K97 | A61-M75 HydrophobicContact CB-CE 4.03Å; L66-M75 HydrophobicContact CD2-CE 4.12Å; L66-M75 HydrophobicContact CD2-SD 3.79Å; D71-M75 WeakPolarHBondContact O-CG 3.49Å; D71-M75 PolarHBondContact O-N 3.15Å; V72-M75 PolarHBondContact O-N 3.23Å; E73-M75 VanDerWaalsContact C-N 3.3Å; E73-M75 PolarHBondContact O-N 2.75Å; M75-Q79 HydrophobicContact CB-CB 4.25Å; M75-Q79 HydrophobicContact CE-CB 3.6Å; M75-Q79 HydrophobicContact CE-CG 4.41Å; M75-Q79 HydrophobicContact SD-CB 4.42Å; M75-L80 HydrophobicContact CB-CD2 3.92Å; M75-L80 HydrophobicContact CB-CG 3.89Å; M75-L80 HydrophobicContact CG-CD2 4.29Å; M75-L80 HydrophobicContact SD-CD2 3.89Å; M75-I83 HydrophobicContact CE-CD1 3.48Å; M75-I83 VanDerWaalsContact CE-CD1 3.48Å; M75-I83 HydrophobicContact CE-CG1 4.47Å; M75-I83 HydrophobicContact SD-CD1 3.6Å; M75-K97 VanDerWaalsContact O-CE 3.23Å; M75-K97 WeakPolarHBondContact O-CE 3.5Å; M75-K97 PolarHBondContact O-NZ 3.43Å |
| 76 | S | 93.2 | Very high | 89.7 | Confident | 53 Ų | 53 | 58.1 Ų | 58.1 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | trans | -72.5 | 156.1 | 164.9 | 66.1 | 0 | 0 | 0 | 0 | 111.4 | R78 Q79 L80 | S76-R78 PolarHBondContact O-N 3.35Å; S76-Q79 PolarHBondContact O-N 2.99Å; S76-Q79 VanDerWaalsContact OG-CG 3.26Å; S76-Q79 WeakPolarHBondContact OG-CG 3.4Å; S76-Q79 PolarHBondContact OG-N 3.34Å; S76-Q79 PolarHBondContact OG-OE1 3.48Å; S76-L80 PolarHBondContact O-N 3.01Å | ||
| 77 | V | 94.4 | Very high | 90.2 | Very high | 61 Ų | 61 | 60.3 Ų | 60.3 | 37% | 0.37 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -54.4 | -39.3 | 175.6 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | L80 K81 K97 L100 | V77-L80 PolarHBondContact O-N 3.5Å; V77-K81 HydrophobicContact CG1-CD 4.18Å; V77-K81 HydrophobicContact CG1-CG 4.49Å; V77-K81 WeakPolarHBondContact O-CG 3.47Å; V77-K81 PolarHBondContact O-N 3.31Å; V77-K97 HydrophobicContact CG2-CB 4.18Å; V77-K97 HydrophobicContact CG2-CD 4.47Å; V77-K97 HydrophobicContact CG2-CG 4.26Å; V77-L100 HydrophobicContact CG1-CD1 3.73Å |
| 78 | R | 93.4 | Very high | 91 | Very high | 141 Ų | 141 | 64.9 Ų | 64.9 | 53% | 0.532 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 176.6 | -179.8 | 178.3 | 166 | 160.3 | 5.5 | 111.9 | S76 K81 E82 | S76-R78 PolarHBondContact O-N 3.35Å; R78-K81 PolarHBondContact O-N 2.88Å; R78-E82 IonicContact CZ-OE1 3.03Å; R78-E82 IonicContact NE-OE1 3.91Å; R78-E82 PolarHBondContact NE-OE1 3.4Å; R78-E82 IonicContact NH2-OE1 3.93Å; R78-E82 WeakPolarHBondContact O-CB 3.43Å; R78-E82 VanDerWaalsContact O-CG 3.32Å; R78-E82 WeakPolarHBondContact O-CG 3.32Å; R78-E82 PolarHBondContact O-N 3.37Å |
| 79 | Q | 93.4 | Very high | 91.5 | Very high | 78 Ų | 78 | 64.3 Ų | 64.3 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67 | -38.9 | 179.4 | -69 | 165.8 | -59.3 | 0 | 0 | 112.1 | A61 M75 S76 E82 I83 | A61-Q79 HydrophobicContact CB-CB 3.86Å; A61-Q79 HydrophobicContact CB-CG 4.06Å; M75-Q79 HydrophobicContact CB-CB 4.25Å; M75-Q79 HydrophobicContact CE-CB 3.6Å; M75-Q79 HydrophobicContact CE-CG 4.41Å; M75-Q79 HydrophobicContact SD-CB 4.42Å; S76-Q79 PolarHBondContact O-N 2.99Å; S76-Q79 VanDerWaalsContact OG-CG 3.26Å; S76-Q79 WeakPolarHBondContact OG-CG 3.4Å; S76-Q79 PolarHBondContact OG-N 3.34Å; S76-Q79 PolarHBondContact OG-OE1 3.48Å; Q79-E82 PolarHBondContact O-N 2.98Å; Q79-I83 WeakPolarHBondContact O-CG1 3.3Å; Q79-I83 PolarHBondContact O-N 2.71Å |
| 80 | L | 94.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 174.1 | -66 | 168.4 | 0 | 0 | 0 | 111.2 | V72 M75 S76 V77 E82 I83 L84 K97 L100 V101 V104 | V72-L80 HydrophobicContact CG1-CD2 3.82Å; M75-L80 HydrophobicContact CB-CD2 3.92Å; M75-L80 HydrophobicContact CB-CG 3.89Å; M75-L80 HydrophobicContact CG-CD2 4.29Å; M75-L80 HydrophobicContact SD-CD2 3.89Å; S76-L80 PolarHBondContact O-N 3.01Å; V77-L80 PolarHBondContact O-N 3.5Å; L80-E82 PolarHBondContact O-N 3.04Å; L80-I83 PolarHBondContact O-N 2.64Å; L80-L84 VanDerWaalsContact O-CG 3.32Å; L80-L84 WeakPolarHBondContact O-CG 3.41Å; L80-L84 PolarHBondContact O-N 2.97Å; L80-K97 HydrophobicContact CD1-CG 4.04Å; L80-L100 HydrophobicContact CB-CB 4.02Å; L80-L100 HydrophobicContact CB-CD1 4.48Å; L80-L100 HydrophobicContact CD1-CB 3.9Å; L80-V101 HydrophobicContact CD1-CG2 3.71Å; L80-V101 HydrophobicContact CD2-CG2 4.31Å; L80-V104 HydrophobicContact CB-CG2 4.32Å; L80-V104 HydrophobicContact CD2-CB 4.06Å; L80-V104 HydrophobicContact CD2-CG1 4.31Å; L80-V104 HydrophobicContact CD2-CG2 3.77Å |
| 81 | K | 94.3 | Very high | 92.6 | Very high | 85 Ų | 85 | 62.9 Ų | 62.9 | 37% | 0.37 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 175.4 | -71.9 | 179.8 | 178.2 | -177.2 | 0 | 112 | V77 R78 I83 L84 A85 Y91 L100 | V77-K81 HydrophobicContact CG1-CD 4.18Å; V77-K81 HydrophobicContact CG1-CG 4.49Å; V77-K81 WeakPolarHBondContact O-CG 3.47Å; V77-K81 PolarHBondContact O-N 3.31Å; R78-K81 PolarHBondContact O-N 2.88Å; K81-I83 PolarHBondContact O-N 2.88Å; K81-L84 PolarHBondContact O-N 3.35Å; K81-A85 VanDerWaalsContact O-CB 3.24Å; K81-A85 WeakPolarHBondContact O-CB 3.26Å; K81-A85 PolarHBondContact O-N 3.06Å; K81-Y91 HydrophobicContact CB-CE1 4.43Å; K81-Y91 HydrophobicContact CB-CE2 4.24Å; K81-Y91 HydrophobicContact CD-CD2 4.38Å; K81-Y91 HydrophobicContact CD-CE2 3.94Å; K81-Y91 HydrophobicContact CG-CD2 4.03Å; K81-Y91 HydrophobicContact CG-CE2 3.85Å; K81-L100 HydrophobicContact CG-CD1 4.15Å; K81-L100 HydrophobicContact CG-CD2 4.35Å |
| 82 | E | 95.2 | Very high | 93.1 | Very high | 23 Ų | 23 | 63.7 Ų | 63.7 | 11% | 0.107 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 176.4 | -78.3 | 173.6 | -171.4 | 0 | 0 | 112.2 | R60 A61 R78 Q79 L80 R86 | R60-E82 WeakPolarHBondContact CA-OE2 3.32Å; R60-E82 HydrophobicContact CB-CG 4.41Å; R60-E82 WeakPolarHBondContact CB-OE2 3.44Å; A61-E82 HydrophobicContact CB-CB 4.35Å; A61-E82 PolarHBondContact N-OE2 3.23Å; R78-E82 IonicContact CZ-OE1 3.03Å; R78-E82 IonicContact NE-OE1 3.91Å; R78-E82 PolarHBondContact NE-OE1 3.4Å; R78-E82 IonicContact NH2-OE1 3.93Å; R78-E82 WeakPolarHBondContact O-CB 3.43Å; R78-E82 VanDerWaalsContact O-CG 3.32Å; R78-E82 WeakPolarHBondContact O-CG 3.32Å; R78-E82 PolarHBondContact O-N 3.37Å; Q79-E82 PolarHBondContact O-N 2.98Å; L80-E82 PolarHBondContact O-N 3.04Å; E82-R86 WeakPolarHBondContact O-CB 3.43Å; E82-R86 VanDerWaalsContact O-CG 3.32Å; E82-R86 WeakPolarHBondContact O-CG 3.48Å; E82-R86 PolarHBondContact O-N 2.78Å |
| 83 | I | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.3 | -48.6 | 175.7 | -72.3 | -178.9 | 0 | 0 | 0 | 110.8 | A61 L63 L66 M75 Q79 L80 K81 R86 N87 V104 L107 | A61-I83 HydrophobicContact CB-CD1 4.32Å; A61-I83 HydrophobicContact CB-CG1 3.95Å; L63-I83 HydrophobicContact CD2-CG2 3.44Å; L63-I83 VanDerWaalsContact CD2-CG2 3.44Å; L63-I83 HydrophobicContact CG-CG2 3.83Å; L66-I83 HydrophobicContact CD1-CD1 3.98Å; L66-I83 HydrophobicContact CD2-CD1 4.29Å; L66-I83 HydrophobicContact CG-CD1 4.23Å; M75-I83 HydrophobicContact CE-CD1 3.48Å; M75-I83 VanDerWaalsContact CE-CD1 3.48Å; M75-I83 HydrophobicContact CE-CG1 4.47Å; M75-I83 HydrophobicContact SD-CD1 3.6Å; Q79-I83 WeakPolarHBondContact O-CG1 3.3Å; Q79-I83 PolarHBondContact O-N 2.71Å; L80-I83 PolarHBondContact O-N 2.64Å; K81-I83 PolarHBondContact O-N 2.88Å; I83-R86 PolarHBondContact O-N 3.33Å; I83-N87 PolarHBondContact O-N 3.49Å; I83-N87 PolarHBondContact O-ND2 3.34Å; I83-V104 HydrophobicContact CG2-CG1 4.14Å; I83-V104 HydrophobicContact CG2-CG2 4.25Å; I83-L107 HydrophobicContact CG2-CD2 4.17Å |
| 84 | L | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | -179.5 | -66.4 | 172.2 | 0 | 0 | 0 | 111.6 | L80 K81 R86 N87 F88 V89 Y91 L100 K103 V104 L107 | L80-L84 VanDerWaalsContact O-CG 3.32Å; L80-L84 WeakPolarHBondContact O-CG 3.41Å; L80-L84 PolarHBondContact O-N 2.97Å; K81-L84 PolarHBondContact O-N 3.35Å; L84-R86 PolarHBondContact O-N 2.89Å; L84-N87 CarbonylContact O-C 3.5Å; L84-N87 PolarHBondContact O-N 2.82Å; L84-F88 PolarHBondContact O-N 3.31Å; L84-V89 HydrophobicContact CB-CB 4.26Å; L84-V89 HydrophobicContact CD2-CB 3.89Å; L84-V89 HydrophobicContact CD2-CG1 3.79Å; L84-V89 PolarHBondContact O-N 2.95Å; L84-Y91 HydrophobicContact CB-CD1 3.67Å; L84-Y91 HydrophobicContact CB-CE1 4.31Å; L84-Y91 HydrophobicContact CD1-CD1 4.29Å; L84-Y91 HydrophobicContact CD1-CG 4.34Å; L84-L100 HydrophobicContact CD1-CD2 3.74Å; L84-K103 HydrophobicContact CD1-CB 4.12Å; L84-K103 HydrophobicContact CD1-CD 4.48Å; L84-K103 HydrophobicContact CD2-CB 3.88Å; L84-V104 HydrophobicContact CD1-CG2 4.03Å; L84-V104 HydrophobicContact CD2-CG2 3.65Å; L84-V104 HydrophobicContact CG-CG2 3.61Å; L84-L107 HydrophobicContact CD2-CD2 4.13Å |
| 85 | A | 94.8 | Very high | 94 | Very high | 40 Ų | 40 | 64.9 Ų | 64.9 | 33% | 0.331 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K81 N87 F88 Y91 | K81-A85 VanDerWaalsContact O-CB 3.24Å; K81-A85 WeakPolarHBondContact O-CB 3.26Å; K81-A85 PolarHBondContact O-N 3.06Å; A85-N87 PolarHBondContact O-N 3.21Å; A85-F88 PolarHBondContact O-N 2.79Å; A85-Y91 HydrophobicContact CB-CE1 4.06Å |
| 86 | R | 93.9 | Very high | 94.4 | Very high | 98 Ų | 98 | 69.3 Ų | 69.3 | 37% | 0.37 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.1 | -25.7 | 179.3 | -80.7 | 173.3 | 159.2 | -173 | -4.8 | 113.9 | R60 A61 E82 I83 L84 | R60-R86 VanDerWaalsContact CB-CZ 3.43Å; R60-R86 VanDerWaalsContact O-CZ 3.28Å; R60-R86 PolarHBondContact O-NH1 3.32Å; R60-R86 PolarHBondContact O-NH2 3.49Å; A61-R86 VanDerWaalsContact O-CD 3.3Å; A61-R86 WeakPolarHBondContact O-CD 3.22Å; A61-R86 PolarHBondContact O-NH1 3.04Å; E82-R86 WeakPolarHBondContact O-CB 3.43Å; E82-R86 VanDerWaalsContact O-CG 3.32Å; E82-R86 WeakPolarHBondContact O-CG 3.48Å; E82-R86 PolarHBondContact O-N 2.78Å; I83-R86 PolarHBondContact O-N 3.33Å; L84-R86 PolarHBondContact O-N 2.89Å |
| 87 | N | 94 | Very high | 94.5 | Very high | 59 Ų | 59 | 70.9 Ų | 70.9 | 32% | 0.316 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 13.9 | 177.7 | -68.1 | -83.8 | 0 | 0 | 0 | 112.4 | L63 I83 L84 A85 V89 L107 | L63-N87 VanDerWaalsContact CD1-CG 3.49Å; L63-N87 WeakPolarHBondContact CD1-ND2 3.34Å; L63-N87 WeakPolarHBondContact CD1-OD1 3.43Å; L63-N87 WeakPolarHBondContact CG-ND2 3.32Å; I83-N87 PolarHBondContact O-N 3.49Å; I83-N87 PolarHBondContact O-ND2 3.34Å; L84-N87 CarbonylContact O-C 3.5Å; L84-N87 PolarHBondContact O-N 2.82Å; A85-N87 PolarHBondContact O-N 3.21Å; N87-V89 HydrophobicContact CB-CG2 4.19Å; N87-V89 PolarHBondContact O-N 2.8Å; N87-V89 VanDerWaalsContact O-N 3.12Å; N87-L107 HydrophobicContact CB-CD1 4.12Å; N87-L107 HydrophobicContact CB-CD2 3.66Å; N87-L107 HydrophobicContact CB-CG 4.49Å |
| 88 | F | 95.2 | Very high | 94.5 | Very high | 197 Ų | 197 | 74.5 Ų | 74.5 | 86% | 0.864 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 30.7 | 179.3 | -54.8 | -84.3 | 0 | 0 | 0 | 113.3 | L84 A85 | L84-F88 PolarHBondContact O-N 3.31Å; A85-F88 PolarHBondContact O-N 2.79Å |
| 89 | V | 95.8 | Very high | 94.7 | Very high | 30 Ų | 30 | 70 Ų | 70 | 18% | 0.182 | 37% | 0.365 | C | S | . | . | trans | -92.1 | 118.5 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 109 | L84 N87 Y91 L107 | L84-V89 HydrophobicContact CB-CB 4.26Å; L84-V89 HydrophobicContact CD2-CB 3.89Å; L84-V89 HydrophobicContact CD2-CG1 3.79Å; L84-V89 PolarHBondContact O-N 2.95Å; N87-V89 HydrophobicContact CB-CG2 4.19Å; N87-V89 PolarHBondContact O-N 2.8Å; N87-V89 VanDerWaalsContact O-N 3.12Å; V89-Y91 WeakPolarHBondContact O-CD1 3.46Å; V89-Y91 PolarHBondContact O-N 3.48Å; V89-L107 HydrophobicContact CG2-CD1 4.01Å; V89-L107 HydrophobicContact CG2-CD2 4.02Å | ||
| 90 | N | 95 | Very high | 94.8 | Very high | 107 Ų | 107 | 66.5 Ų | 66.5 | 57% | 0.572 | 35% | 0.349 | S | S | * | . | trans | -66 | 129.2 | 176.8 | -173 | 23.8 | 0 | 0 | 0 | 111.6 | S92 K103 | N90-S92 PolarHBondContact ND2-OG 2.81Å; N90-S92 VanDerWaalsContact OD1-CB 3.31Å; N90-S92 WeakPolarHBondContact OD1-CB 3.37Å; N90-S92 PolarHBondContact OD1-N 3.16Å; N90-S92 PolarHBondContact OD1-OG 3.32Å; N90-S92 VanDerWaalsContact OD1-OG 3.05Å; N90-K103 PolarHBondContact O-NZ 2.65Å | ||
| 91 | Y | 94.6 | Very high | 94.8 | Very high | 78 Ų | 78 | 67.3 Ų | 67.3 | 31% | 0.306 | 35% | 0.353 | S | S | . | . | trans | -123.1 | 10.7 | 174.7 | 59.9 | -96.9 | 0 | 0 | 0 | 112.8 | K81 L84 A85 V89 G93 C94 L100 | K81-Y91 HydrophobicContact CB-CE1 4.43Å; K81-Y91 HydrophobicContact CB-CE2 4.24Å; K81-Y91 HydrophobicContact CD-CD2 4.38Å; K81-Y91 HydrophobicContact CD-CE2 3.94Å; K81-Y91 HydrophobicContact CG-CD2 4.03Å; K81-Y91 HydrophobicContact CG-CE2 3.85Å; L84-Y91 HydrophobicContact CB-CD1 3.67Å; L84-Y91 HydrophobicContact CB-CE1 4.31Å; L84-Y91 HydrophobicContact CD1-CD1 4.29Å; L84-Y91 HydrophobicContact CD1-CG 4.34Å; A85-Y91 HydrophobicContact CB-CE1 4.06Å; V89-Y91 WeakPolarHBondContact O-CD1 3.46Å; V89-Y91 PolarHBondContact O-N 3.48Å; Y91-G93 PolarHBondContact O-N 2.78Å; Y91-C94 WeakPolarHBondContact O-CB 3.43Å; Y91-C94 PolarHBondContact O-N 3.39Å; Y91-C94 VanDerWaalsContact O-N 3.14Å; Y91-L100 HydrophobicContact CG-CD2 4.35Å | ||
| 92 | S | 94.1 | Very high | 94.9 | Very high | 85 Ų | 85 | 69 Ų | 69 | 59% | 0.594 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 129.1 | 169.9 | 70.1 | 0 | 0 | 0 | 0 | 109.5 | N90 | N90-S92 PolarHBondContact ND2-OG 2.81Å; N90-S92 VanDerWaalsContact OD1-CB 3.31Å; N90-S92 WeakPolarHBondContact OD1-CB 3.37Å; N90-S92 PolarHBondContact OD1-N 3.16Å; N90-S92 PolarHBondContact OD1-OG 3.32Å; N90-S92 VanDerWaalsContact OD1-OG 3.05Å |
| 93 | G | 92.3 | Very high | 95 | Very high | 67 Ų | 67 | 70.6 Ų | 70.6 | 69% | 0.691 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.8 | 4.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y91 C95 | Y91-G93 PolarHBondContact O-N 2.78Å; G93-C95 PolarHBondContact O-N 3.3Å |
| 94 | C | 94.6 | Very high | 95 | Very high | 26 Ų | 26 | 70.6 Ų | 70.6 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | trans | -75.7 | 111 | 162.9 | -67.2 | 0 | 0 | 0 | 0 | 109.5 | Y91 E99 L100 K103 | Y91-C94 WeakPolarHBondContact O-CB 3.43Å; Y91-C94 PolarHBondContact O-N 3.39Å; Y91-C94 VanDerWaalsContact O-N 3.14Å; C94-E99 WeakPolarHBondContact CA-OE2 3.43Å; C94-E99 HydrophobicContact CB-CB 4.12Å; C94-L100 HydrophobicContact CB-CD2 3.65Å; C94-L100 HydrophobicContact CB-CG 3.98Å; C94-K103 WeakPolarHBondContact SG-CE 3.49Å | ||
| 95 | C | 93.2 | Very high | 95 | Very high | 118 Ų | 118 | 72.3 Ų | 72.3 | 80% | 0.797 | 38% | 0.378 | S | S | * | . | trans | -90 | -25.2 | 179.4 | -64.5 | 0 | 0 | 0 | 0 | 112.1 | G93 E99 | G93-C95 PolarHBondContact O-N 3.3Å; C95-E99 PolarHBondContact N-OE2 3.44Å | ||
| 96 | E | 96.1 | Very high | 95 | Very high | 109 Ų | 109 | 77 Ų | 77 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -124.6 | 151.1 | -173.7 | -61.4 | -174.3 | 85 | 0 | 0 | 112.8 | W98 E99 | E96-W98 HydrophobicContact CB-CG 4.21Å; E96-W98 VanDerWaalsContact CB-NE1 3.29Å; E96-W98 PolarHBondContact O-N 3.43Å; E96-W98 PolarHBondContact OE1-NE1 3.41Å; E96-W98 PolarHBondContact OE2-NE1 3.19Å; E96-E99 HydrophobicContact CB-CG 4.42Å; E96-E99 PolarHBondContact N-OE2 2.78Å; E96-E99 PolarHBondContact O-N 3.44Å; E96-E99 VanDerWaalsContact O-N 3.15Å |
| 97 | K | 94.9 | Very high | 95.1 | Very high | 87 Ų | 87 | 73.2 Ų | 73.2 | 38% | 0.378 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.9 | -37.8 | 178.6 | 176.5 | 177.2 | 166.1 | 176.8 | 0 | 111.5 | E73 M75 V77 L80 E99 L100 V101 | E73-K97 WeakPolarHBondContact O-CE 3.47Å; E73-K97 PolarHBondContact O-NZ 2.78Å; M75-K97 VanDerWaalsContact O-CE 3.23Å; M75-K97 WeakPolarHBondContact O-CE 3.5Å; M75-K97 PolarHBondContact O-NZ 3.43Å; V77-K97 HydrophobicContact CG2-CB 4.18Å; V77-K97 HydrophobicContact CG2-CD 4.47Å; V77-K97 HydrophobicContact CG2-CG 4.26Å; L80-K97 HydrophobicContact CD1-CG 4.04Å; K97-E99 VanDerWaalsContact C-N 3.27Å; K97-E99 PolarHBondContact O-N 3.45Å; K97-L100 WeakPolarHBondContact O-CB 3.43Å; K97-L100 PolarHBondContact O-N 2.96Å; K97-V101 HydrophobicContact CG-CG2 4.14Å; K97-V101 WeakPolarHBondContact O-CG2 3.25Å; K97-V101 PolarHBondContact O-N 3.27Å |
| 98 | W | 95.6 | Very high | 95 | Very high | 136 Ų | 136 | 72.1 Ų | 72.1 | 52% | 0.515 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.4 | -32.6 | -177.6 | 72 | -99.2 | 0 | 0 | 0 | 112.4 | E96 V101 E102 | E96-W98 HydrophobicContact CB-CG 4.21Å; E96-W98 VanDerWaalsContact CB-NE1 3.29Å; E96-W98 PolarHBondContact O-N 3.43Å; E96-W98 PolarHBondContact OE1-NE1 3.41Å; E96-W98 PolarHBondContact OE2-NE1 3.19Å; W98-V101 PolarHBondContact O-N 2.93Å; W98-E102 WeakPolarHBondContact CZ3-OE2 3.23Å; W98-E102 WeakPolarHBondContact O-CB 3.11Å; W98-E102 PolarHBondContact O-N 2.91Å |
| 99 | E | 96.8 | Very high | 94.8 | Very high | 48 Ų | 48 | 68.8 Ų | 68.8 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.3 | -37.7 | 177.6 | -62.1 | 179.2 | 108.5 | 0 | 0 | 111.5 | C94 C95 E96 K97 K103 | C94-E99 WeakPolarHBondContact CA-OE2 3.43Å; C94-E99 HydrophobicContact CB-CB 4.12Å; C95-E99 PolarHBondContact N-OE2 3.44Å; E96-E99 HydrophobicContact CB-CG 4.42Å; E96-E99 PolarHBondContact N-OE2 2.78Å; E96-E99 PolarHBondContact O-N 3.44Å; E96-E99 VanDerWaalsContact O-N 3.15Å; K97-E99 VanDerWaalsContact C-N 3.27Å; K97-E99 PolarHBondContact O-N 3.45Å; E99-K103 WeakPolarHBondContact O-CG 3.3Å; E99-K103 PolarHBondContact O-N 3.48Å |
| 100 | L | 96.1 | Very high | 94.7 | Very high | 4 Ų | 4 | 71.6 Ų | 71.6 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -67.5 | -43.5 | 173.5 | -63.9 | 173 | 0 | 0 | 0 | 110.8 | V77 L80 K81 L84 Y91 C94 K97 E102 K103 V104 | V77-L100 HydrophobicContact CG1-CD1 3.73Å; L80-L100 HydrophobicContact CB-CB 4.02Å; L80-L100 HydrophobicContact CB-CD1 4.48Å; L80-L100 HydrophobicContact CD1-CB 3.9Å; K81-L100 HydrophobicContact CG-CD1 4.15Å; K81-L100 HydrophobicContact CG-CD2 4.35Å; L84-L100 HydrophobicContact CD1-CD2 3.74Å; Y91-L100 HydrophobicContact CG-CD2 4.35Å; C94-L100 HydrophobicContact CB-CD2 3.65Å; C94-L100 HydrophobicContact CB-CG 3.98Å; K97-L100 WeakPolarHBondContact O-CB 3.43Å; K97-L100 PolarHBondContact O-N 2.96Å; L100-E102 VanDerWaalsContact C-N 3.33Å; L100-E102 PolarHBondContact O-N 3.5Å; L100-K103 PolarHBondContact O-N 2.91Å; L100-V104 WeakPolarHBondContact O-CG2 3.26Å; L100-V104 PolarHBondContact O-N 3.41Å |
| 101 | V | 95.5 | Very high | 94.4 | Very high | 16 Ų | 16 | 69.7 Ų | 69.7 | 10% | 0.097 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 175 | 168 | 0 | 0 | 0 | 0 | 110.5 | V72 E73 L80 K97 W98 K103 V104 N105 | V72-V101 HydrophobicContact CG1-CB 4.45Å; V72-V101 HydrophobicContact CG1-CG1 4.06Å; E73-V101 HydrophobicContact CG-CG1 4.28Å; L80-V101 HydrophobicContact CD1-CG2 3.71Å; L80-V101 HydrophobicContact CD2-CG2 4.31Å; K97-V101 HydrophobicContact CG-CG2 4.14Å; K97-V101 WeakPolarHBondContact O-CG2 3.25Å; K97-V101 PolarHBondContact O-N 3.27Å; W98-V101 PolarHBondContact O-N 2.93Å; V101-K103 PolarHBondContact O-N 3.01Å; V101-V104 PolarHBondContact O-N 2.8Å; V101-N105 WeakPolarHBondContact CG1-ND2 3.43Å; V101-N105 VanDerWaalsContact O-CB 3.26Å; V101-N105 WeakPolarHBondContact O-CB 3.43Å; V101-N105 VanDerWaalsContact O-CG 3.3Å; V101-N105 PolarHBondContact O-N 3.42Å; V101-N105 PolarHBondContact O-ND2 3.31Å |
| 102 | E | 95.6 | Very high | 94.2 | Very high | 121 Ų | 121 | 71.1 Ų | 71.1 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.4 | -45.9 | 177.5 | -173.6 | -179.5 | -157.6 | 0 | 0 | 111.6 | W98 L100 N105 R106 | W98-E102 WeakPolarHBondContact CZ3-OE2 3.23Å; W98-E102 WeakPolarHBondContact O-CB 3.11Å; W98-E102 PolarHBondContact O-N 2.91Å; L100-E102 VanDerWaalsContact C-N 3.33Å; L100-E102 PolarHBondContact O-N 3.5Å; E102-N105 PolarHBondContact O-N 3.27Å; E102-R106 WeakPolarHBondContact O-CB 3.49Å; E102-R106 PolarHBondContact O-N 3.48Å |
| 103 | K | 96.7 | Very high | 93.9 | Very high | 56 Ų | 56 | 72.2 Ų | 72.2 | 24% | 0.243 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 176.5 | -78 | 173.1 | 175.8 | -88.3 | 0 | 112.4 | L84 N90 C94 E99 L100 V101 R106 L107 | L84-K103 HydrophobicContact CD1-CB 4.12Å; L84-K103 HydrophobicContact CD1-CD 4.48Å; L84-K103 HydrophobicContact CD2-CB 3.88Å; N90-K103 PolarHBondContact O-NZ 2.65Å; C94-K103 WeakPolarHBondContact SG-CE 3.49Å; E99-K103 WeakPolarHBondContact O-CG 3.3Å; E99-K103 PolarHBondContact O-N 3.48Å; L100-K103 PolarHBondContact O-N 2.91Å; V101-K103 PolarHBondContact O-N 3.01Å; K103-R106 PolarHBondContact O-N 3.3Å; K103-L107 VanDerWaalsContact O-CB 3.3Å; K103-L107 WeakPolarHBondContact O-CB 3.36Å; K103-L107 PolarHBondContact O-N 3.37Å |
| 104 | V | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.9 | -40.7 | 177.8 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | L66 V72 L80 I83 L84 L100 V101 R106 L107 Y108 | L66-V104 HydrophobicContact CD1-CG1 3.95Å; V72-V104 HydrophobicContact CG1-CB 3.79Å; V72-V104 HydrophobicContact CG1-CG1 3.58Å; V72-V104 HydrophobicContact CG2-CG1 4.12Å; L80-V104 HydrophobicContact CB-CG2 4.32Å; L80-V104 HydrophobicContact CD2-CB 4.06Å; L80-V104 HydrophobicContact CD2-CG1 4.31Å; L80-V104 HydrophobicContact CD2-CG2 3.77Å; I83-V104 HydrophobicContact CG2-CG1 4.14Å; I83-V104 HydrophobicContact CG2-CG2 4.25Å; L84-V104 HydrophobicContact CD1-CG2 4.03Å; L84-V104 HydrophobicContact CD2-CG2 3.65Å; L84-V104 HydrophobicContact CG-CG2 3.61Å; L100-V104 WeakPolarHBondContact O-CG2 3.26Å; L100-V104 PolarHBondContact O-N 3.41Å; V101-V104 PolarHBondContact O-N 2.8Å; V104-R106 VanDerWaalsContact C-N 3.35Å; V104-R106 PolarHBondContact O-N 3.02Å; V104-L107 PolarHBondContact O-N 3.14Å; V104-Y108 VanDerWaalsContact O-CB 3.31Å; V104-Y108 WeakPolarHBondContact O-CB 3.46Å; V104-Y108 PolarHBondContact O-N 3.47Å |
| 105 | N | 94.8 | Very high | 93.3 | Very high | 36 Ų | 36 | 78.7 Ų | 78.7 | 19% | 0.193 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 174.7 | -82.3 | -23.4 | 0 | 0 | 0 | 111.7 | L69 V72 V101 E102 Y108 K109 | L69-N105 HydrophobicContact CD2-CB 4.35Å; L69-N105 WeakPolarHBondContact CD2-OD1 3.26Å; V72-N105 WeakPolarHBondContact CB-OD1 3.31Å; V72-N105 WeakPolarHBondContact CG1-OD1 3.37Å; V72-N105 WeakPolarHBondContact CG2-OD1 3.24Å; V101-N105 WeakPolarHBondContact CG1-ND2 3.43Å; V101-N105 VanDerWaalsContact O-CB 3.26Å; V101-N105 WeakPolarHBondContact O-CB 3.43Å; V101-N105 VanDerWaalsContact O-CG 3.3Å; V101-N105 PolarHBondContact O-N 3.42Å; V101-N105 PolarHBondContact O-ND2 3.31Å; E102-N105 PolarHBondContact O-N 3.27Å; N105-Y108 PolarHBondContact O-N 3.32Å; N105-K109 WeakPolarHBondContact O-CB 3.4Å; N105-K109 PolarHBondContact O-N 3.3Å |
| 106 | R | 95.1 | Very high | 93 | Very high | 138 Ų | 138 | 80.2 Ų | 80.2 | 52% | 0.521 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -49.3 | 174.7 | -175.4 | 178.6 | 69.3 | 172.9 | 6.2 | 111 | E102 K103 V104 Y108 K109 E110 | E102-R106 WeakPolarHBondContact O-CB 3.49Å; E102-R106 PolarHBondContact O-N 3.48Å; K103-R106 PolarHBondContact O-N 3.3Å; V104-R106 VanDerWaalsContact C-N 3.35Å; V104-R106 PolarHBondContact O-N 3.02Å; R106-Y108 VanDerWaalsContact C-N 3.35Å; R106-Y108 PolarHBondContact O-N 2.83Å; R106-K109 PolarHBondContact O-N 3.31Å; R106-E110 HydrophobicContact CG-CG 4.38Å; R106-E110 VanDerWaalsContact CG-OE1 3.26Å; R106-E110 WeakPolarHBondContact CG-OE1 3.24Å; R106-E110 IonicContact NE-OE1 2.87Å; R106-E110 WeakPolarHBondContact O-CB 3.36Å; R106-E110 VanDerWaalsContact O-CG 3.31Å; R106-E110 WeakPolarHBondContact O-CG 3.31Å; R106-E110 PolarHBondContact O-N 3.39Å |
| 107 | L | 94.7 | Very high | 92.4 | Very high | 20 Ų | 20 | 77.8 Ų | 77.8 | 11% | 0.105 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 178.3 | 175.3 | 63.6 | 0 | 0 | 0 | 112.1 | L63 I83 L84 N87 V89 K103 V104 N111 | L63-L107 HydrophobicContact CD1-CD1 4.12Å; L63-L107 HydrophobicContact CD1-CD2 3.87Å; L63-L107 HydrophobicContact CD1-CG 3.71Å; L63-L107 HydrophobicContact CD2-CD2 3.86Å; L63-L107 HydrophobicContact CD2-CG 3.97Å; L63-L107 HydrophobicContact CG-CD2 4.16Å; L63-L107 HydrophobicContact CG-CG 4.37Å; I83-L107 HydrophobicContact CG2-CD2 4.17Å; L84-L107 HydrophobicContact CD2-CD2 4.13Å; N87-L107 HydrophobicContact CB-CD1 4.12Å; N87-L107 HydrophobicContact CB-CD2 3.66Å; N87-L107 HydrophobicContact CB-CG 4.49Å; V89-L107 HydrophobicContact CG2-CD1 4.01Å; V89-L107 HydrophobicContact CG2-CD2 4.02Å; K103-L107 VanDerWaalsContact O-CB 3.3Å; K103-L107 WeakPolarHBondContact O-CB 3.36Å; K103-L107 PolarHBondContact O-N 3.37Å; V104-L107 PolarHBondContact O-N 3.14Å; L107-N111 VanDerWaalsContact O-CB 3.25Å; L107-N111 WeakPolarHBondContact O-CB 3.44Å; L107-N111 PolarHBondContact O-N 3.37Å |
| 108 | Y | 92.3 | Very high | 91.7 | Very high | 36 Ų | 36 | 81.3 Ų | 81.3 | 14% | 0.141 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.7 | -48 | 177.7 | 177.6 | -92.6 | 0 | 0 | 0 | 111.1 | L66 L69 V104 N105 R106 N111 E112 | L66-Y108 HydrophobicContact CB-CD2 3.77Å; L66-Y108 HydrophobicContact CB-CE2 3.71Å; L66-Y108 HydrophobicContact CD1-CD2 3.94Å; L69-Y108 HydrophobicContact CD2-CD1 4.13Å; V104-Y108 VanDerWaalsContact O-CB 3.31Å; V104-Y108 WeakPolarHBondContact O-CB 3.46Å; V104-Y108 PolarHBondContact O-N 3.47Å; N105-Y108 PolarHBondContact O-N 3.32Å; R106-Y108 VanDerWaalsContact C-N 3.35Å; R106-Y108 PolarHBondContact O-N 2.83Å; Y108-N111 PolarHBondContact O-N 3.4Å; Y108-E112 PolarHBondContact O-N 3.31Å; Y108-E112 PolarHBondContact OH-OE2 3.44Å |
| 109 | K | 92.3 | Very high | 90.8 | Very high | 126 Ų | 126 | 76 Ų | 76 | 55% | 0.548 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 179.4 | -170.3 | 180 | 180 | -170 | 0 | 112.4 | N105 R106 N111 E112 E113 | N105-K109 WeakPolarHBondContact O-CB 3.4Å; N105-K109 PolarHBondContact O-N 3.3Å; R106-K109 PolarHBondContact O-N 3.31Å; K109-N111 VanDerWaalsContact C-N 3.27Å; K109-N111 PolarHBondContact O-N 3.18Å; K109-E112 PolarHBondContact O-N 2.82Å; K109-E113 VanDerWaalsContact CE-OE1 3.22Å; K109-E113 WeakPolarHBondContact CE-OE1 3.27Å; K109-E113 WeakPolarHBondContact O-CB 3.38Å; K109-E113 WeakPolarHBondContact O-CG 3.44Å; K109-E113 PolarHBondContact O-N 2.92Å |
| 110 | E | 92.1 | Very high | 89.9 | Confident | 89 Ų | 89 | 78.9 Ų | 78.9 | 42% | 0.416 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.3 | -39.6 | 175.9 | -74.1 | 171.8 | -178 | 0 | 0 | 111.3 | R106 N114 | R106-E110 HydrophobicContact CG-CG 4.38Å; R106-E110 VanDerWaalsContact CG-OE1 3.26Å; R106-E110 WeakPolarHBondContact CG-OE1 3.24Å; R106-E110 IonicContact NE-OE1 2.87Å; R106-E110 WeakPolarHBondContact O-CB 3.36Å; R106-E110 VanDerWaalsContact O-CG 3.31Å; R106-E110 WeakPolarHBondContact O-CG 3.31Å; R106-E110 PolarHBondContact O-N 3.39Å; E110-N114 VanDerWaalsContact O-CB 3.27Å; E110-N114 WeakPolarHBondContact O-CB 3.38Å; E110-N114 VanDerWaalsContact O-CG 3.25Å; E110-N114 PolarHBondContact O-N 2.96Å; E110-N114 PolarHBondContact O-ND2 3.45Å |
| 111 | N | 90.2 | Very high | 88.9 | Confident | 67 Ų | 67 | 86.7 Ų | 86.7 | 36% | 0.358 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 176.8 | -172.9 | 50.6 | 0 | 0 | 0 | 112.2 | L63 L107 Y108 K109 N114 Q115 | L63-N111 HydrophobicContact CD1-CB 4.37Å; L107-N111 VanDerWaalsContact O-CB 3.25Å; L107-N111 WeakPolarHBondContact O-CB 3.44Å; L107-N111 PolarHBondContact O-N 3.37Å; Y108-N111 PolarHBondContact O-N 3.4Å; K109-N111 VanDerWaalsContact C-N 3.27Å; K109-N111 PolarHBondContact O-N 3.18Å; N111-N114 PolarHBondContact O-N 3.28Å; N111-Q115 VanDerWaalsContact O-CB 3.27Å; N111-Q115 WeakPolarHBondContact O-CB 3.27Å; N111-Q115 PolarHBondContact O-N 2.84Å |
| 112 | E | 89.1 | Confident | 87.9 | Confident | 109 Ų | 109 | 91.3 Ų | 91.3 | 51% | 0.509 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 176.6 | -168.3 | -176.1 | 114.7 | 0 | 0 | 111.5 | Y108 K109 Q115 K116 | Y108-E112 PolarHBondContact O-N 3.31Å; Y108-E112 PolarHBondContact OH-OE2 3.44Å; K109-E112 PolarHBondContact O-N 2.82Å; E112-Q115 PolarHBondContact O-N 2.84Å; E112-K116 WeakPolarHBondContact O-CB 3.48Å; E112-K116 PolarHBondContact O-N 3.48Å |
| 113 | E | 88.8 | Confident | 86.8 | Confident | 107 Ų | 107 | 92.1 Ų | 92.1 | 50% | 0.5 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 176.6 | -73.5 | 177.1 | -178 | 0 | 0 | 111.7 | K109 K116 S117 | K109-E113 VanDerWaalsContact CE-OE1 3.22Å; K109-E113 WeakPolarHBondContact CE-OE1 3.27Å; K109-E113 WeakPolarHBondContact O-CB 3.38Å; K109-E113 WeakPolarHBondContact O-CG 3.44Å; K109-E113 PolarHBondContact O-N 2.92Å; E113-K116 PolarHBondContact O-N 3.41Å; E113-S117 WeakPolarHBondContact O-CB 3.33Å; E113-S117 PolarHBondContact O-N 2.93Å |
| 114 | N | 87.8 | Confident | 85.6 | Confident | 90 Ų | 90 | 94 Ų | 94 | 48% | 0.481 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 175.3 | -79.1 | -23.7 | 0 | 0 | 0 | 110.9 | E110 N111 K116 S117 Y118 | E110-N114 VanDerWaalsContact O-CB 3.27Å; E110-N114 WeakPolarHBondContact O-CB 3.38Å; E110-N114 VanDerWaalsContact O-CG 3.25Å; E110-N114 PolarHBondContact O-N 2.96Å; E110-N114 PolarHBondContact O-ND2 3.45Å; N111-N114 PolarHBondContact O-N 3.28Å; N114-K116 VanDerWaalsContact C-N 3.27Å; N114-K116 PolarHBondContact O-N 2.94Å; N114-S117 PolarHBondContact O-N 3.41Å; N114-Y118 HydrophobicContact CB-CD2 4.4Å; N114-Y118 WeakPolarHBondContact O-CB 3.4Å; N114-Y118 VanDerWaalsContact O-CD2 3.24Å; N114-Y118 WeakPolarHBondContact O-CD2 3.26Å; N114-Y118 PolarHBondContact O-N 3.29Å |
| 115 | Q | 86.1 | Confident | 84.6 | Confident | 140 Ų | 140 | 99 Ų | 99 | 65% | 0.654 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.1 | -40.5 | 179.4 | -174.6 | 173.8 | 1 | 0 | 0 | 111.7 | N111 E112 G119 | N111-Q115 VanDerWaalsContact O-CB 3.27Å; N111-Q115 WeakPolarHBondContact O-CB 3.27Å; N111-Q115 PolarHBondContact O-N 2.84Å; E112-Q115 PolarHBondContact O-N 2.84Å; Q115-G119 PolarHBondContact O-N 3.37Å |
| 116 | K | 86.2 | Confident | 83.6 | Confident | 150 Ų | 150 | 102.3 Ų | 102.3 | 65% | 0.652 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.1 | -46.2 | 175.4 | -172.7 | 175.6 | -179.8 | -177.5 | 0 | 112 | E112 E113 N114 G119 E120 | E112-K116 WeakPolarHBondContact O-CB 3.48Å; E112-K116 PolarHBondContact O-N 3.48Å; E113-K116 PolarHBondContact O-N 3.41Å; N114-K116 VanDerWaalsContact C-N 3.27Å; N114-K116 PolarHBondContact O-N 2.94Å; K116-G119 PolarHBondContact O-N 3.48Å; K116-E120 WeakPolarHBondContact O-CB 3.18Å; K116-E120 PolarHBondContact O-N 3.01Å |
| 117 | S | 84.9 | Confident | 82.6 | Confident | 58 Ų | 58 | 102.6 Ų | 102.6 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 179.4 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | E113 N114 R121 | E113-S117 WeakPolarHBondContact O-CB 3.33Å; E113-S117 PolarHBondContact O-N 2.93Å; N114-S117 PolarHBondContact O-N 3.41Å; S117-R121 WeakPolarHBondContact O-CB 3.39Å; S117-R121 WeakPolarHBondContact O-CG 3.22Å; S117-R121 PolarHBondContact O-N 2.89Å |
| 118 | Y | 79.5 | Confident | 81.7 | Confident | 160 Ų | 160 | 108.1 Ų | 108.1 | 63% | 0.627 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.4 | -42 | 175.1 | -84.7 | -80.5 | 0 | 0 | 0 | 111.6 | N114 R121 L122 | N114-Y118 HydrophobicContact CB-CD2 4.4Å; N114-Y118 WeakPolarHBondContact O-CB 3.4Å; N114-Y118 VanDerWaalsContact O-CD2 3.24Å; N114-Y118 WeakPolarHBondContact O-CD2 3.26Å; N114-Y118 PolarHBondContact O-N 3.29Å; Y118-R121 PolarHBondContact O-N 2.89Å; Y118-L122 WeakPolarHBondContact O-CB 3.32Å; Y118-L122 VanDerWaalsContact O-CG 3.26Å; Y118-L122 WeakPolarHBondContact O-CG 3.39Å; Y118-L122 PolarHBondContact O-N 2.9Å |
| 119 | G | 76.7 | Confident | 81.2 | Confident | 24 Ų | 24 | 110 Ų | 110 | 25% | 0.247 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -63.1 | -45 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q115 K116 L122 Q123 | Q115-G119 PolarHBondContact O-N 3.37Å; K116-G119 PolarHBondContact O-N 3.48Å; G119-L122 PolarHBondContact O-N 3.4Å; G119-Q123 WeakPolarHBondContact O-CG 3.37Å; G119-Q123 PolarHBondContact O-N 3.28Å |
| 120 | E | 77.6 | Confident | 81 | Confident | 110 Ų | 110 | 108.4 Ų | 108.4 | 51% | 0.514 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 177.7 | -173.6 | 171.6 | -175.2 | 0 | 0 | 111.6 | K116 L122 Q123 L124 | K116-E120 WeakPolarHBondContact O-CB 3.18Å; K116-E120 PolarHBondContact O-N 3.01Å; E120-L122 PolarHBondContact O-N 2.94Å; E120-Q123 PolarHBondContact O-N 3.1Å; E120-L124 HydrophobicContact CG-CD1 4.31Å; E120-L124 WeakPolarHBondContact O-CG 3.32Å; E120-L124 PolarHBondContact O-N 3.35Å |
| 121 | R | 75.1 | Confident | 80.9 | Confident | 168 Ų | 168 | 106.2 Ų | 106.2 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.5 | -41.2 | 174.6 | -73.9 | 176.3 | 67.1 | 123.1 | 6.8 | 112.4 | S117 Y118 Q125 | S117-R121 WeakPolarHBondContact O-CB 3.39Å; S117-R121 WeakPolarHBondContact O-CG 3.22Å; S117-R121 PolarHBondContact O-N 2.89Å; Y118-R121 PolarHBondContact O-N 2.89Å; R121-Q125 VanDerWaalsContact O-CB 3.25Å; R121-Q125 WeakPolarHBondContact O-CB 3.43Å; R121-Q125 PolarHBondContact O-N 2.86Å; R121-Q125 VanDerWaalsContact O-N 3.13Å |
| 122 | L | 74.4 | Confident | 81.2 | Confident | 113 Ų | 113 | 104.5 Ų | 104.5 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.4 | -41.8 | 177.2 | -76.9 | 167.9 | 0 | 0 | 0 | 111.7 | Y118 G119 E120 Q125 D126 | Y118-L122 WeakPolarHBondContact O-CB 3.32Å; Y118-L122 VanDerWaalsContact O-CG 3.26Å; Y118-L122 WeakPolarHBondContact O-CG 3.39Å; Y118-L122 PolarHBondContact O-N 2.9Å; G119-L122 PolarHBondContact O-N 3.4Å; E120-L122 PolarHBondContact O-N 2.94Å; L122-Q125 PolarHBondContact O-N 2.81Å; L122-D126 WeakPolarHBondContact O-CB 2.97Å; L122-D126 PolarHBondContact O-N 3.2Å |
| 123 | Q | 73.9 | Confident | 81.5 | Confident | 137 Ų | 137 | 99.3 Ų | 99.3 | 64% | 0.64 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.4 | -46.9 | 178.1 | -75.5 | 171.6 | 26.1 | 0 | 0 | 112.1 | G119 E120 Q125 D126 E127 | G119-Q123 WeakPolarHBondContact O-CG 3.37Å; G119-Q123 PolarHBondContact O-N 3.28Å; E120-Q123 PolarHBondContact O-N 3.1Å; Q123-Q125 VanDerWaalsContact C-N 3.29Å; Q123-Q125 PolarHBondContact O-N 3.3Å; Q123-D126 PolarHBondContact O-N 3.06Å; Q123-E127 WeakPolarHBondContact O-CG 3.2Å; Q123-E127 PolarHBondContact O-N 2.98Å |
| 124 | L | 71.3 | Confident | 81.8 | Confident | 95 Ų | 95 | 100 Ų | 100 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 178.2 | -68.3 | 171 | 0 | 0 | 0 | 112.1 | E120 E128 | E120-L124 HydrophobicContact CG-CD1 4.31Å; E120-L124 WeakPolarHBondContact O-CG 3.32Å; E120-L124 PolarHBondContact O-N 3.35Å; L124-E128 WeakPolarHBondContact O-CG 3.26Å; L124-E128 PolarHBondContact O-N 3.46Å |
| 125 | Q | 74.4 | Confident | 82.2 | Confident | 106 Ų | 106 | 99.7 Ų | 99.7 | 50% | 0.495 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.2 | -38.2 | -178.8 | -158.2 | 161.6 | 41.2 | 0 | 0 | 112 | R121 L122 Q123 E128 D129 | R121-Q125 VanDerWaalsContact O-CB 3.25Å; R121-Q125 WeakPolarHBondContact O-CB 3.43Å; R121-Q125 PolarHBondContact O-N 2.86Å; R121-Q125 VanDerWaalsContact O-N 3.13Å; L122-Q125 PolarHBondContact O-N 2.81Å; Q123-Q125 VanDerWaalsContact C-N 3.29Å; Q123-Q125 PolarHBondContact O-N 3.3Å; Q125-E128 PolarHBondContact O-N 2.86Å; Q125-D129 VanDerWaalsContact O-CB 3.26Å; Q125-D129 WeakPolarHBondContact O-CB 3.38Å; Q125-D129 PolarHBondContact O-N 3.02Å |
| 126 | D | 73.7 | Confident | 82.7 | Confident | 106 Ų | 106 | 95.2 Ų | 95.2 | 57% | 0.567 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.7 | -41.1 | 177.7 | -156.8 | 54.5 | 0 | 0 | 0 | 111.6 | L122 Q123 E128 D129 D130 | L122-D126 WeakPolarHBondContact O-CB 2.97Å; L122-D126 PolarHBondContact O-N 3.2Å; Q123-D126 PolarHBondContact O-N 3.06Å; D126-E128 PolarHBondContact O-N 3.4Å; D126-D129 PolarHBondContact O-N 3.19Å; D126-D130 WeakPolarHBondContact O-CB 3.41Å; D126-D130 PolarHBondContact O-N 3.21Å |
| 127 | E | 73.1 | Confident | 83.1 | Confident | 143 Ų | 143 | 93.6 Ų | 93.6 | 67% | 0.668 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.4 | -38.8 | 175.9 | -70.6 | -172.6 | 131.9 | 0 | 0 | 112.7 | Q123 | Q123-E127 WeakPolarHBondContact O-CG 3.2Å; Q123-E127 PolarHBondContact O-N 2.98Å |
| 128 | E | 75.6 | Confident | 83.5 | Confident | 136 Ų | 136 | 97 Ų | 97 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -69.6 | -47.4 | 175.9 | -75 | -179.4 | 176.8 | 0 | 0 | 111.1 | L124 Q125 D126 D130 S131 | L124-E128 WeakPolarHBondContact O-CG 3.26Å; L124-E128 PolarHBondContact O-N 3.46Å; Q125-E128 PolarHBondContact O-N 2.86Å; D126-E128 PolarHBondContact O-N 3.4Å; E128-D130 VanDerWaalsContact C-N 3.34Å; E128-D130 PolarHBondContact O-N 3.49Å; E128-S131 PolarHBondContact O-N 3.43Å; E128-S131 PolarHBondContact O-OG 2.95Å |
| 129 | D | 83.3 | Confident | 84.3 | Confident | 76 Ų | 76 | 90.6 Ų | 90.6 | 41% | 0.406 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.5 | -32.9 | -176 | -76 | -16.4 | 0 | 0 | 0 | 112.9 | Q125 D126 S131 L132 | Q125-D129 VanDerWaalsContact O-CB 3.26Å; Q125-D129 WeakPolarHBondContact O-CB 3.38Å; Q125-D129 PolarHBondContact O-N 3.02Å; D126-D129 PolarHBondContact O-N 3.19Å; D129-S131 PolarHBondContact O-N 3.44Å; D129-L132 WeakPolarHBondContact O-CB 3.25Å; D129-L132 PolarHBondContact O-N 2.9Å |
| 130 | D | 87.3 | Confident | 85.1 | Confident | 93 Ų | 93 | 93.3 Ų | 93.3 | 50% | 0.497 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.9 | -28.7 | 179.6 | -105.3 | -16 | 0 | 0 | 0 | 112.8 | D126 E128 R134 | D126-D130 WeakPolarHBondContact O-CB 3.41Å; D126-D130 PolarHBondContact O-N 3.21Å; E128-D130 VanDerWaalsContact C-N 3.34Å; E128-D130 PolarHBondContact O-N 3.49Å; D130-R134 PolarHBondContact O-NH2 3.36Å; D130-R134 VanDerWaalsContact O-NH2 3.15Å; D130-R134 IonicContact OD1-CZ 3.88Å; D130-R134 IonicContact OD1-NH2 3.81Å; D130-R134 PolarHBondContact OD1-NH2 3.13Å |
| 131 | S | 90.7 | Very high | 86 | Confident | 43 Ų | 43 | 88.9 Ų | 88.9 | 30% | 0.301 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -11.4 | 177.8 | 81.6 | 0 | 0 | 0 | 0 | 113.9 | E128 D129 V140 I141 | E128-S131 PolarHBondContact O-N 3.43Å; E128-S131 PolarHBondContact O-OG 2.95Å; D129-S131 PolarHBondContact O-N 3.44Å; S131-V140 CarbonylContact O-C 3.5Å; S131-V140 WeakPolarHBondContact O-CA 3.14Å; S131-I141 WeakPolarHBondContact O-CG1 3.47Å; S131-I141 PolarHBondContact O-N 2.83Å |
| 132 | L | 94.9 | Very high | 87 | Confident | 30 Ų | 30 | 82.4 Ų | 82.4 | 16% | 0.157 | 42% | 0.423 | C | S | . | . | B | Isolated β-bridge | trans | -83.5 | 148.3 | -176.5 | -65 | 179.6 | 0 | 0 | 0 | 112.9 | D129 R134 V140 I141 | D129-L132 WeakPolarHBondContact O-CB 3.25Å; D129-L132 PolarHBondContact O-N 2.9Å; L132-R134 PolarHBondContact O-N 3.38Å; L132-V140 HydrophobicContact CD2-CG1 4.36Å; L132-I141 WeakPolarHBondContact O-CD1 3.27Å; L132-I141 WeakPolarHBondContact O-CG1 3.4Å |
| 133 | C | 95.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 40% | 0.395 | C | S | . | . | trans | -58.1 | 120.9 | 174.8 | 171 | 0 | 0 | 0 | 0 | 110.4 | I135 C136 M137 A139 T153 C154 | C133-I135 PolarHBondContact O-N 3.28Å; C133-I135 PolarHBondContact SG-N 3.07Å; C133-C136 PolarHBondContact O-N 2.99Å; C133-M137 WeakPolarHBondContact O-CA 3.39Å; C133-M137 PolarHBondContact O-N 3.41Å; C133-A139 WeakPolarHBondContact CB-O 3.35Å; C133-A139 PolarHBondContact N-O 2.9Å; C133-T153 WeakPolarHBondContact SG-CA 3.48Å; C133-C154 HydrophobicContact CB-CB 3.8Å; C133-C154 VanDerWaalsContact CB-N 3.31Å; C133-C154 PolarHBondContact SG-N 3.14Å | ||
| 134 | R | 95.4 | Very high | 89.1 | Confident | 121 Ų | 121 | 71.7 Ų | 71.7 | 46% | 0.457 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | 2.7 | -178.4 | -53.5 | -56.6 | 173.5 | 98.4 | -6.6 | 115.1 | D130 L132 V152 | D130-R134 PolarHBondContact O-NH2 3.36Å; D130-R134 VanDerWaalsContact O-NH2 3.15Å; D130-R134 IonicContact OD1-CZ 3.88Å; D130-R134 IonicContact OD1-NH2 3.81Å; D130-R134 PolarHBondContact OD1-NH2 3.13Å; L132-R134 PolarHBondContact O-N 3.38Å; R134-V152 PolarHBondContact N-O 3.4Å |
| 135 | I | 96.3 | Very high | 90.4 | Very high | 84 Ų | 84 | 67.2 Ų | 67.2 | 43% | 0.431 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -42.8 | -179.3 | -50.3 | -60.2 | 0 | 0 | 0 | 111.2 | C133 T153 C157 M161 P165 | C133-I135 PolarHBondContact O-N 3.28Å; C133-I135 PolarHBondContact SG-N 3.07Å; I135-T153 HydrophobicContact CD1-CG2 4.33Å; I135-T153 HydrophobicContact CG1-CG2 3.5Å; I135-T153 VanDerWaalsContact CG1-CG2 3.5Å; I135-C157 HydrophobicContact CB-CB 3.95Å; I135-C157 HydrophobicContact CG1-CB 4.33Å; I135-C157 HydrophobicContact CG2-CB 4.13Å; I135-M161 HydrophobicContact CD1-SD 4.12Å; I135-M161 HydrophobicContact CG1-SD 3.87Å; I135-P165 HydrophobicContact CD1-CB 4.42Å; I135-P165 HydrophobicContact CD1-CG 4.34Å |
| 136 | C | 96.1 | Very high | 91.4 | Very high | 46 Ų | 46 | 64.7 Ų | 64.7 | 31% | 0.311 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -14.8 | -179.3 | 68.5 | 0 | 0 | 0 | 0 | 114.3 | C133 D138 | C133-C136 PolarHBondContact O-N 2.99Å; C136-D138 HydrophobicContact CB-CB 4.33Å; C136-D138 PolarHBondContact O-N 3.37Å; C136-D138 VanDerWaalsContact O-N 3.1Å |
| 137 | M | 95 | Very high | 92.4 | Very high | 117 Ų | 117 | 66.4 Ų | 66.4 | 58% | 0.576 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 47.6 | 36.2 | -175.7 | -58.7 | -59.6 | -159.8 | 0 | 0 | 113.2 | C133 | C133-M137 WeakPolarHBondContact O-CA 3.39Å; C133-M137 PolarHBondContact O-N 3.41Å |
| 138 | D | 94 | Very high | 93.5 | Very high | 128 Ų | 128 | 61 Ų | 61 | 68% | 0.684 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -135.1 | -48.5 | -170.6 | 172.9 | 46.5 | 0 | 0 | 0 | 111.4 | C136 | C136-D138 HydrophobicContact CB-CB 4.33Å; C136-D138 PolarHBondContact O-N 3.37Å; C136-D138 VanDerWaalsContact O-N 3.1Å |
| 139 | A | 94.8 | Very high | 94.5 | Very high | 26 Ų | 26 | 56.5 Ų | 56.5 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -103.6 | 147.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | C133 C154 | C133-A139 WeakPolarHBondContact CB-O 3.35Å; C133-A139 PolarHBondContact N-O 2.9Å; A139-C154 HydrophobicContact CB-CB 3.63Å |
| 140 | V | 94.8 | Very high | 95.2 | Very high | 82 Ų | 82 | 55.8 Ų | 55.8 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | B | Isolated β-bridge | trans | -59.6 | 154.1 | 174.8 | -62.8 | 0 | 0 | 0 | 0 | 112.5 | S131 L132 D142 C154 | S131-V140 CarbonylContact O-C 3.5Å; S131-V140 WeakPolarHBondContact O-CA 3.14Å; L132-V140 HydrophobicContact CD2-CG1 4.36Å; V140-D142 PolarHBondContact O-N 3Å; V140-D142 VanDerWaalsContact O-N 3.1Å; V140-C154 VanDerWaalsContact O-CB 3.27Å; V140-C154 WeakPolarHBondContact O-CB 3.46Å |
| 141 | I | 96 | Very high | 95.6 | Very high | 16 Ų | 16 | 55 Ų | 55 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | trans | -69.3 | 105.3 | 171.9 | -62.2 | 167.5 | 0 | 0 | 0 | 108.6 | S131 L132 M151 | S131-I141 WeakPolarHBondContact O-CG1 3.47Å; S131-I141 PolarHBondContact O-N 2.83Å; L132-I141 WeakPolarHBondContact O-CD1 3.27Å; L132-I141 WeakPolarHBondContact O-CG1 3.4Å; I141-M151 HydrophobicContact CG2-CB 4Å | ||
| 142 | D | 96.8 | Very high | 95.8 | Very high | 33 Ų | 33 | 53.9 Ų | 53.9 | 18% | 0.176 | 29% | 0.29 | C | S | . | . | trans | -125.8 | 9.4 | -179.3 | 69.5 | 7.7 | 0 | 0 | 0 | 112.5 | V140 C154 T155 H176 V177 | V140-D142 PolarHBondContact O-N 3Å; V140-D142 VanDerWaalsContact O-N 3.1Å; D142-C154 VanDerWaalsContact OD1-C 3.29Å; D142-C154 VanDerWaalsContact OD1-CA 3.24Å; D142-C154 WeakPolarHBondContact OD1-CA 3.49Å; D142-T155 WeakPolarHBondContact OD1-CB 3.29Å; D142-T155 PolarHBondContact OD1-N 3.31Å; D142-T155 PolarHBondContact OD1-OG1 3.19Å; D142-H176 VanDerWaalsContact CG-CD2 3.46Å; D142-H176 CarbonylContact O-C 3.54Å; D142-H176 WeakPolarHBondContact O-CA 3.24Å; D142-H176 IonicContact OD1-CD2 3.9Å; D142-H176 IonicContact OD2-CD2 3.37Å; D142-H176 PolarHBondContact OD2-CD2 3.18Å; D142-H176 IonicContact OD2-NE2 3.44Å; D142-H176 PolarHBondContact OD2-NE2 3.44Å; D142-V177 PolarHBondContact O-N 3.46Å | ||
| 143 | C | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.3 | -172.1 | -174.5 | 0 | 0 | 0 | 0 | 112.9 | M151 T153 V175 | C143-M151 WeakPolarHBondContact O-CA 3.49Å; C143-T153 VanDerWaalsContact CB-O 3.29Å; C143-T153 WeakPolarHBondContact CB-O 3.07Å; C143-T153 PolarHBondContact N-O 3.48Å; C143-V175 WeakPolarHBondContact CA-O 3.5Å; C143-V175 PolarHBondContact SG-O 2.87Å; C143-V175 VanDerWaalsContact SG-O 3.4Å |
| 144 | V | 96.8 | Very high | 96 | Very high | 25 Ų | 25 | 52.6 Ų | 52.6 | 15% | 0.152 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 132.6 | 169.8 | 65.1 | 0 | 0 | 0 | 0 | 110.7 | G149 M151 V175 V177 | V144-G149 WeakPolarHBondContact CG2-O 3.37Å; V144-M151 HydrophobicContact CB-CG 3.86Å; V144-M151 HydrophobicContact CG2-CG 4.01Å; V144-V175 HydrophobicContact CG1-CB 3.98Å; V144-V175 PolarHBondContact N-O 3.42Å; V144-V175 PolarHBondContact O-N 3.32Å; V144-V175 VanDerWaalsContact O-N 3.07Å; V144-V177 HydrophobicContact CB-CG2 4.13Å; V144-V177 HydrophobicContact CG1-CG2 3.68Å |
| 145 | L | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 113.8 | 178.2 | -56.8 | -179.7 | 0 | 0 | 0 | 110.6 | C148 G149 H150 M161 C164 V171 A174 | L145-C148 PolarHBondContact O-N 3.15Å; L145-C148 PolarHBondContact O-SG 3.32Å; L145-G149 PolarHBondContact O-N 3.5Å; L145-H150 PolarHBondContact N-O 3.18Å; L145-M161 HydrophobicContact CD1-CE 3.88Å; L145-C164 HydrophobicContact CD1-CB 4.09Å; L145-V171 HydrophobicContact CB-CG2 4.34Å; L145-V171 HydrophobicContact CD1-CG2 4.15Å; L145-V171 HydrophobicContact CD2-CG1 4.06Å; L145-V171 HydrophobicContact CD2-CG2 4.33Å; L145-A174 HydrophobicContact CD2-CB 4.25Å |
| 146 | L | 95.8 | Very high | 96.2 | Very high | 53 Ų | 53 | 51.1 Ų | 51.1 | 28% | 0.277 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 141.4 | 178.1 | -65.8 | 175.5 | 0 | 0 | 0 | 111.4 | V172 R173 V175 | L146-V172 PolarHBondContact O-N 3.4Å; L146-R173 HydrophobicContact CB-CB 4.35Å; L146-R173 PolarHBondContact N-O 2.78Å; L146-R173 PolarHBondContact O-N 2.76Å; L146-V175 HydrophobicContact CD1-CG2 3.88Å |
| 147 | E | 94.8 | Very high | 96.2 | Very high | 142 Ų | 142 | 49 Ų | 49 | 66% | 0.664 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -93.3 | -1.3 | 10.5 | -64.3 | -172 | 163.8 | 0 | 0 | 115.4 | G149 V172 | E147-G149 PolarHBondContact O-N 3.4Å; E147-V172 HydrophobicContact CG-CG2 4.5Å |
| 148 | C | 96.8 | Very high | 96.3 | Very high | 31 Ų | 31 | 43.5 Ų | 43.5 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -19.1 | -172.5 | 68.6 | 0 | 0 | 0 | 0 | 116 | L145 H150 C167 Q169 | L145-C148 PolarHBondContact O-N 3.15Å; L145-C148 PolarHBondContact O-SG 3.32Å; C148-H150 PolarHBondContact O-N 3.15Å; C148-H150 PolarHBondContact SG-ND1 2.9Å; C148-C167 WeakPolarHBondContact CB-SG 3.34Å; C148-Q169 HydrophobicContact CB-CB 4.24Å |
| 149 | G | 95.4 | Very high | 96.4 | Very high | 40 Ų | 40 | 44.8 Ų | 44.8 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 1.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | V144 L145 E147 M151 | V144-G149 WeakPolarHBondContact CG2-O 3.37Å; L145-G149 PolarHBondContact O-N 3.5Å; E147-G149 PolarHBondContact O-N 3.4Å; G149-M151 PolarHBondContact O-N 2.84Å |
| 150 | H | 97.6 | Very high | 96.4 | Very high | 61 Ų | 61 | 52.9 Ų | 52.9 | 28% | 0.282 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 127.3 | -179.1 | -65.5 | 104.3 | 0 | 0 | 0 | 112.2 | L145 C148 C164 I166 C167 | L145-H150 PolarHBondContact N-O 3.18Å; C148-H150 PolarHBondContact O-N 3.15Å; C148-H150 PolarHBondContact SG-ND1 2.9Å; H150-C164 PolarHBondContact ND1-SG 2.73Å; H150-C164 VanDerWaalsContact ND1-SG 3.44Å; H150-I166 HydrophobicContact CB-CB 4.42Å; H150-I166 HydrophobicContact CB-CG1 4.23Å; H150-C167 PolarHBondContact CE1-SG 3.37Å; H150-C167 PolarHBondContact ND1-SG 3.44Å; H150-C167 VanDerWaalsContact ND1-SG 3.4Å |
| 151 | M | 96 | Very high | 96.3 | Very high | 76 Ų | 76 | 50.9 Ų | 50.9 | 37% | 0.374 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 92.6 | 175.2 | -66 | -175.4 | 71.9 | 0 | 0 | 109.7 | I141 C143 V144 G149 V177 | I141-M151 HydrophobicContact CG2-CB 4Å; C143-M151 WeakPolarHBondContact O-CA 3.49Å; V144-M151 HydrophobicContact CB-CG 3.86Å; V144-M151 HydrophobicContact CG2-CG 4.01Å; G149-M151 PolarHBondContact O-N 2.84Å; M151-V177 HydrophobicContact CE-CB 4.09Å; M151-V177 HydrophobicContact CE-CG1 4.28Å; M151-V177 HydrophobicContact CE-CG2 4.26Å |
| 152 | V | 96 | Very high | 96.3 | Very high | 21 Ų | 21 | 53.6 Ų | 53.6 | 13% | 0.127 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | -3.3 | -174.5 | -61.9 | 0 | 0 | 0 | 0 | 113.2 | R134 P165 I166 | R134-V152 PolarHBondContact N-O 3.4Å; V152-P165 HydrophobicContact CG2-CG 3.55Å; V152-I166 HydrophobicContact CB-CG1 4.38Å; V152-I166 HydrophobicContact CG1-CD1 3.88Å; V152-I166 HydrophobicContact CG1-CG1 3.64Å; V152-I166 HydrophobicContact CG2-CG1 4.07Å |
| 153 | T | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 154.5 | -175.9 | 64.6 | 0 | 0 | 0 | 0 | 112 | C133 I135 C143 M161 | C133-T153 WeakPolarHBondContact SG-CA 3.48Å; I135-T153 HydrophobicContact CD1-CG2 4.33Å; I135-T153 HydrophobicContact CG1-CG2 3.5Å; I135-T153 VanDerWaalsContact CG1-CG2 3.5Å; C143-T153 VanDerWaalsContact CB-O 3.29Å; C143-T153 WeakPolarHBondContact CB-O 3.07Å; C143-T153 PolarHBondContact N-O 3.48Å; T153-M161 HydrophobicContact CG2-CE 3.39Å; T153-M161 HydrophobicContact CG2-SD 3.99Å |
| 154 | C | 97.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | trans | -74.1 | 164.6 | 159.8 | 72 | 0 | 0 | 0 | 0 | 110.2 | C133 A139 V140 D142 K156 C157 G158 | C133-C154 HydrophobicContact CB-CB 3.8Å; C133-C154 VanDerWaalsContact CB-N 3.31Å; C133-C154 PolarHBondContact SG-N 3.14Å; A139-C154 HydrophobicContact CB-CB 3.63Å; V140-C154 VanDerWaalsContact O-CB 3.27Å; V140-C154 WeakPolarHBondContact O-CB 3.46Å; D142-C154 VanDerWaalsContact OD1-C 3.29Å; D142-C154 VanDerWaalsContact OD1-CA 3.24Å; D142-C154 WeakPolarHBondContact OD1-CA 3.49Å; C154-K156 VanDerWaalsContact C-N 3.29Å; C154-K156 PolarHBondContact O-N 2.85Å; C154-C157 PolarHBondContact O-N 3.31Å; C154-C157 VanDerWaalsContact O-N 3.14Å; C154-C157 PolarHBondContact SG-N 3.24Å; C154-G158 PolarHBondContact O-N 2.8Å | ||
| 155 | T | 96.8 | Very high | 96.3 | Very high | 18 Ų | 18 | 59.2 Ų | 59.2 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.5 | -31.7 | -174.3 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | D142 K159 H176 | D142-T155 WeakPolarHBondContact OD1-CB 3.29Å; D142-T155 PolarHBondContact OD1-N 3.31Å; D142-T155 PolarHBondContact OD1-OG1 3.19Å; T155-K159 HydrophobicContact CG2-CD 4.09Å; T155-K159 HydrophobicContact CG2-CG 4.46Å; T155-K159 WeakPolarHBondContact O-CB 3.35Å; T155-K159 VanDerWaalsContact O-CG 3.23Å; T155-K159 WeakPolarHBondContact O-CG 3.38Å; T155-K159 PolarHBondContact O-N 2.77Å; T155-H176 HydrophobicContact CG2-CB 4.39Å; T155-H176 PolarHBondContact OG1-CD2 2.79Å; T155-H176 VanDerWaalsContact OG1-CD2 3.24Å |
| 156 | K | 97.6 | Very high | 96.2 | Very high | 156 Ų | 156 | 64 Ų | 64 | 68% | 0.678 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.8 | -41 | 174.8 | -64.1 | 177.7 | -175 | 170.9 | 0 | 111.6 | C154 R160 | C154-K156 VanDerWaalsContact C-N 3.29Å; C154-K156 PolarHBondContact O-N 2.85Å; K156-R160 PolarHBondContact O-NE 3.48Å |
| 157 | C | 97.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.02 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -74 | -52.4 | 177.5 | -71 | 0 | 0 | 0 | 0 | 110.5 | I135 C154 K159 R160 M161 | I135-C157 HydrophobicContact CB-CB 3.95Å; I135-C157 HydrophobicContact CG1-CB 4.33Å; I135-C157 HydrophobicContact CG2-CB 4.13Å; C154-C157 PolarHBondContact O-N 3.31Å; C154-C157 VanDerWaalsContact O-N 3.14Å; C154-C157 PolarHBondContact SG-N 3.24Å; C157-K159 VanDerWaalsContact C-N 3.26Å; C157-K159 PolarHBondContact O-N 3.26Å; C157-K159 VanDerWaalsContact O-N 3.15Å; C157-R160 PolarHBondContact O-N 3.39Å; C157-M161 WeakPolarHBondContact O-CG 3.44Å |
| 158 | G | 96.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -52.8 | -38.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | C154 R160 M161 | C154-G158 PolarHBondContact O-N 2.8Å; G158-R160 VanDerWaalsContact C-N 3.27Å; G158-R160 PolarHBondContact O-N 3.24Å; G158-M161 PolarHBondContact O-N 3.42Å |
| 159 | K | 95.6 | Very high | 96.4 | Very high | 154 Ų | 154 | 69.6 Ų | 69.6 | 67% | 0.67 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.8 | 176.6 | -77.3 | 176.2 | 178.4 | 177.4 | 0 | 114.9 | T155 C157 A174 | T155-K159 HydrophobicContact CG2-CD 4.09Å; T155-K159 HydrophobicContact CG2-CG 4.46Å; T155-K159 WeakPolarHBondContact O-CB 3.35Å; T155-K159 VanDerWaalsContact O-CG 3.23Å; T155-K159 WeakPolarHBondContact O-CG 3.38Å; T155-K159 PolarHBondContact O-N 2.77Å; C157-K159 VanDerWaalsContact C-N 3.26Å; C157-K159 PolarHBondContact O-N 3.26Å; C157-K159 VanDerWaalsContact O-N 3.15Å; K159-A174 HydrophobicContact CG-CB 4.38Å |
| 160 | R | 95.9 | Very high | 96.5 | Very high | 197 Ų | 197 | 75.3 Ų | 75.3 | 74% | 0.743 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -1.3 | -178.5 | -66.3 | -174.2 | -68.3 | 173.9 | 3.5 | 112.9 | K156 C157 G158 | K156-R160 PolarHBondContact O-NE 3.48Å; C157-R160 PolarHBondContact O-N 3.39Å; G158-R160 VanDerWaalsContact C-N 3.27Å; G158-R160 PolarHBondContact O-N 3.24Å |
| 161 | M | 92.2 | Very high | 96.5 | Very high | 40 Ų | 40 | 73.1 Ų | 73.1 | 20% | 0.197 | 34% | 0.341 | C | S | . | . | trans | -103.6 | 137.8 | -172.1 | -36 | -150.2 | -54.4 | 0 | 0 | 110.7 | I135 L145 T153 C157 G158 P165 | I135-M161 HydrophobicContact CD1-SD 4.12Å; I135-M161 HydrophobicContact CG1-SD 3.87Å; L145-M161 HydrophobicContact CD1-CE 3.88Å; T153-M161 HydrophobicContact CG2-CE 3.39Å; T153-M161 HydrophobicContact CG2-SD 3.99Å; C157-M161 WeakPolarHBondContact O-CG 3.44Å; G158-M161 PolarHBondContact O-N 3.42Å; M161-P165 VanDerWaalsContact CE-CD 3.49Å; M161-P165 HydrophobicContact CE-CG 4.04Å | ||
| 162 | S | 95.4 | Very high | 96.4 | Very high | 73 Ų | 73 | 73.5 Ų | 73.5 | 51% | 0.51 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -90.3 | -24.8 | 173.9 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | Y170 V171 | S162-Y170 WeakPolarHBondContact O-CA 3.23Å; S162-Y170 WeakPolarHBondContact O-CD2 3.32Å; S162-V171 PolarHBondContact O-N 3.22Å |
| 163 | E | 97.1 | Very high | 96.4 | Very high | 109 Ų | 109 | 78.8 Ų | 78.8 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -133.4 | 148 | -176.8 | -66.1 | 178.3 | -179 | 0 | 0 | 110.8 | Q169 | E163-Q169 WeakPolarHBondContact CA-O 3.38Å |
| 164 | C | 97.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.014 | 38% | 0.375 | C | S | . | . | trans | -69.5 | 131 | 173.5 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | L145 H150 I166 R168 Q169 | L145-C164 HydrophobicContact CD1-CB 4.09Å; H150-C164 PolarHBondContact ND1-SG 2.73Å; H150-C164 VanDerWaalsContact ND1-SG 3.44Å; C164-I166 PolarHBondContact O-N 3.24Å; C164-I166 PolarHBondContact SG-N 2.65Å; C164-R168 WeakPolarHBondContact O-CA 3.46Å; C164-R168 PolarHBondContact O-N 3.1Å; C164-Q169 PolarHBondContact N-O 3.34Å | ||
| 165 | P | 95.6 | Very high | 96.2 | Very high | 65 Ų | 65 | 82.5 Ų | 82.5 | 42% | 0.422 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -13 | -178.8 | 30.1 | -36.6 | 0 | 0 | 0 | 113 | I135 V152 M161 | I135-P165 HydrophobicContact CD1-CB 4.42Å; I135-P165 HydrophobicContact CD1-CG 4.34Å; V152-P165 HydrophobicContact CG2-CG 3.55Å; M161-P165 VanDerWaalsContact CE-CD 3.49Å; M161-P165 HydrophobicContact CE-CG 4.04Å |
| 166 | I | 96.7 | Very high | 96.2 | Very high | 99 Ų | 99 | 85.2 Ų | 85.2 | 51% | 0.508 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -55.6 | 179.3 | -52.8 | -55.9 | 0 | 0 | 0 | 111.3 | H150 V152 C164 | H150-I166 HydrophobicContact CB-CB 4.42Å; H150-I166 HydrophobicContact CB-CG1 4.23Å; V152-I166 HydrophobicContact CB-CG1 4.38Å; V152-I166 HydrophobicContact CG1-CD1 3.88Å; V152-I166 HydrophobicContact CG1-CG1 3.64Å; V152-I166 HydrophobicContact CG2-CG1 4.07Å; C164-I166 PolarHBondContact O-N 3.24Å; C164-I166 PolarHBondContact SG-N 2.65Å |
| 167 | C | 97.5 | Very high | 96.1 | Very high | 54 Ų | 54 | 80.3 Ų | 80.3 | 37% | 0.365 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -0.7 | -173.2 | 66.1 | 0 | 0 | 0 | 0 | 114.7 | C148 H150 Q169 | C148-C167 WeakPolarHBondContact CB-SG 3.34Å; H150-C167 PolarHBondContact CE1-SG 3.37Å; H150-C167 PolarHBondContact ND1-SG 3.44Å; H150-C167 VanDerWaalsContact ND1-SG 3.4Å; C167-Q169 PolarHBondContact O-N 2.84Å; C167-Q169 VanDerWaalsContact SG-CB 3.58Å |
| 168 | R | 96.3 | Very high | 95.7 | Very high | 199 Ų | 199 | 88.3 Ų | 88.3 | 75% | 0.751 | 42% | 0.419 | S | S | * | . | trans | 58.2 | 12.5 | -178.5 | -53.5 | -179.5 | -178 | -139.9 | 0.7 | 115 | C164 | C164-R168 WeakPolarHBondContact O-CA 3.46Å; C164-R168 PolarHBondContact O-N 3.1Å | ||
| 169 | Q | 97.1 | Very high | 94.8 | Very high | 92 Ų | 92 | 95.5 Ų | 95.5 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | trans | -70.4 | 142.1 | 173.9 | -172.1 | 172.2 | -24.6 | 0 | 0 | 110.2 | C148 E163 C164 C167 V171 | C148-Q169 HydrophobicContact CB-CB 4.24Å; E163-Q169 WeakPolarHBondContact CA-O 3.38Å; C164-Q169 PolarHBondContact N-O 3.34Å; C167-Q169 PolarHBondContact O-N 2.84Å; C167-Q169 VanDerWaalsContact SG-CB 3.58Å; Q169-V171 PolarHBondContact O-N 3.07Å | ||
| 170 | Y | 97.4 | Very high | 93.4 | Very high | 159 Ų | 159 | 97.6 Ų | 97.6 | 62% | 0.624 | 48% | 0.484 | S | S | * | . | B | Isolated β-bridge | trans | -59.7 | 131.6 | 177.1 | -172.7 | -97.1 | 0 | 0 | 0 | 111.3 | S162 V172 | S162-Y170 WeakPolarHBondContact O-CA 3.23Å; S162-Y170 WeakPolarHBondContact O-CD2 3.32Å; Y170-V172 HydrophobicContact CD1-CG2 4.47Å; Y170-V172 PolarHBondContact O-N 2.96Å |
| 171 | V | 96.4 | Very high | 93.2 | Very high | 15 Ų | 15 | 92.6 Ų | 92.6 | 9% | 0.091 | 47% | 0.471 | C | S | . | . | trans | -81.6 | 106.8 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | L145 S162 Q169 | L145-V171 HydrophobicContact CB-CG2 4.34Å; L145-V171 HydrophobicContact CD1-CG2 4.15Å; L145-V171 HydrophobicContact CD2-CG1 4.06Å; L145-V171 HydrophobicContact CD2-CG2 4.33Å; S162-V171 PolarHBondContact O-N 3.22Å; Q169-V171 PolarHBondContact O-N 3.07Å | ||
| 172 | V | 95.4 | Very high | 93.3 | Very high | 84 Ų | 84 | 95.4 Ų | 95.4 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -76.4 | -37.4 | 175.5 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | L146 E147 Y170 | L146-V172 PolarHBondContact O-N 3.4Å; E147-V172 HydrophobicContact CG-CG2 4.5Å; Y170-V172 HydrophobicContact CD1-CG2 4.47Å; Y170-V172 PolarHBondContact O-N 2.96Å |
| 173 | R | 95 | Very high | 93.2 | Very high | 132 Ų | 132 | 96.6 Ų | 96.6 | 50% | 0.498 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 140.2 | -178.5 | -163.1 | -175.4 | -52.5 | 92.9 | 5.8 | 111.3 | L146 V175 | L146-R173 HydrophobicContact CB-CB 4.35Å; L146-R173 PolarHBondContact N-O 2.78Å; L146-R173 PolarHBondContact O-N 2.76Å; R173-V175 HydrophobicContact CG-CG2 3.99Å |
| 174 | A | 95.9 | Very high | 92.9 | Very high | 24 Ų | 24 | 95.9 Ų | 95.9 | 20% | 0.198 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109 | L145 K159 | L145-A174 HydrophobicContact CD2-CB 4.25Å; K159-A174 HydrophobicContact CG-CB 4.38Å |
| 175 | V | 95.9 | Very high | 92.7 | Very high | 56 Ų | 56 | 101.8 Ų | 101.8 | 34% | 0.339 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 131.7 | -177.4 | -177.9 | 0 | 0 | 0 | 0 | 109.3 | C143 V144 L146 R173 | C143-V175 WeakPolarHBondContact CA-O 3.5Å; C143-V175 PolarHBondContact SG-O 2.87Å; C143-V175 VanDerWaalsContact SG-O 3.4Å; V144-V175 HydrophobicContact CG1-CB 3.98Å; V144-V175 PolarHBondContact N-O 3.42Å; V144-V175 PolarHBondContact O-N 3.32Å; V144-V175 VanDerWaalsContact O-N 3.07Å; L146-V175 HydrophobicContact CD1-CG2 3.88Å; R173-V175 HydrophobicContact CG-CG2 3.99Å |
| 176 | H | 96.1 | Very high | 92.5 | Very high | 76 Ų | 76 | 104.2 Ų | 104.2 | 35% | 0.352 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 134.3 | 174.1 | 178.8 | -87.5 | 0 | 0 | 0 | 109.9 | D142 T155 F178 | D142-H176 VanDerWaalsContact CG-CD2 3.46Å; D142-H176 CarbonylContact O-C 3.54Å; D142-H176 WeakPolarHBondContact O-CA 3.24Å; D142-H176 IonicContact OD1-CD2 3.9Å; D142-H176 IonicContact OD2-CD2 3.37Å; D142-H176 PolarHBondContact OD2-CD2 3.18Å; D142-H176 IonicContact OD2-NE2 3.44Å; D142-H176 PolarHBondContact OD2-NE2 3.44Å; T155-H176 HydrophobicContact CG2-CB 4.39Å; T155-H176 PolarHBondContact OG1-CD2 2.79Å; T155-H176 VanDerWaalsContact OG1-CD2 3.24Å; H176-F178 AromaticContact CE1-CD1 3.64Å; H176-F178 AromaticContact CE1-CE1 3.35Å; H176-F178 WeakPolarHBondContact CE1-CE1 3.46Å; H176-F178 AromaticContact CE1-CZ 3.6Å; H176-F178 AromaticContact ND1-CE1 3.73Å; H176-F178 AromaticContact ND1-CE2 3.63Å; H176-F178 AromaticContact ND1-CZ 3.46Å; H176-F178 WeakPolarHBondContact ND1-CZ 3.35Å |
| 177 | V | 94.6 | Very high | 92.2 | Very high | 52 Ų | 52 | 104.6 Ų | 104.6 | 32% | 0.315 | 52% | 0.519 | S | S | . | . | trans | -119.8 | 137.9 | -178.6 | -177 | 0 | 0 | 0 | 0 | 108.5 | D142 V144 M151 | D142-V177 PolarHBondContact O-N 3.46Å; V144-V177 HydrophobicContact CB-CG2 4.13Å; V144-V177 HydrophobicContact CG1-CG2 3.68Å; M151-V177 HydrophobicContact CE-CB 4.09Å; M151-V177 HydrophobicContact CE-CG1 4.28Å; M151-V177 HydrophobicContact CE-CG2 4.26Å | ||
| 178 | F | 90.9 | Very high | 91.8 | Very high | 171 Ų | 171 | 108.5 Ų | 108.5 | 75% | 0.75 | 53% | 0.531 | S | S | * | . | trans | -96.2 | 121.8 | 173.2 | -58 | -88.9 | 0 | 0 | 0 | 108.3 | H176 | H176-F178 AromaticContact CE1-CD1 3.64Å; H176-F178 AromaticContact CE1-CE1 3.35Å; H176-F178 WeakPolarHBondContact CE1-CE1 3.46Å; H176-F178 AromaticContact CE1-CZ 3.6Å; H176-F178 AromaticContact ND1-CE1 3.73Å; H176-F178 AromaticContact ND1-CE2 3.63Å; H176-F178 AromaticContact ND1-CZ 3.46Å; H176-F178 WeakPolarHBondContact ND1-CZ 3.35Å | ||
| 179 | K | 77.8 | Confident | 91.4 | Very high | 153 Ų | 153 | 100.9 Ų | 100.9 | 67% | 0.665 | 51% | 0.512 | S | S | * | . | trans | -78.6 | 132.6 | 167.6 | -74.4 | -178.9 | 175.5 | 176.7 | 0 | 108.2 | ||||
| 180 | S | 64.4 | Low | 90.9 | Very high | 197 Ų | 197 | 101.7 Ų | 101.7 | 100% | 1.378 | 52% | 0.52 | S | S | * | . | trans | -84.7 | 0 | 177.1 | -59.8 | 0 | 0 | 0 | 0 | 112.3 |
Retrieved 180 of 180 residues in 44.8 ms
(Link to these results)