| 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 | 40.4 | Very low | 37.7 | Very low | 231 Ų | 231 | 148.5 Ų | 148.5 | 100% | 1.138 | 84% | 0.84 | S | S | * | * | 0 | 129.1 | 0 | -74.9 | 158.8 | 170.2 | 0 | 0 | 105.1 | |||||
| 2 | D | 37 | Very low | 37.1 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 90% | 0.898 | 83% | 0.834 | S | S | * | * | trans | 61.6 | 153.4 | -172 | -51.5 | -72 | 0 | 0 | 0 | 114.2 | ||||
| 3 | G | 37.9 | Very low | 36.9 | Very low | 62 Ų | 62 | 142.5 Ų | 142.5 | 64% | 0.639 | 82% | 0.819 | S | S | * | * | cis | 176.7 | 177.4 | -6.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 4 | T | 38.6 | Very low | 36.8 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | trans | 74.1 | 98.6 | 169.6 | -45.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 5 | I | 44 | Very low | 36.8 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -73.2 | 152.9 | 156.8 | -71.6 | 170.5 | 0 | 0 | 0 | 109 | ||||
| 6 | K | 42.2 | Very low | 36.5 | Very low | 182 Ų | 182 | 144.4 Ų | 144.4 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -96.1 | 171.5 | 178.2 | -66.8 | -179.2 | 179.2 | 178.3 | 0 | 111.8 | ||||
| 7 | E | 42 | Very low | 36.3 | Very low | 197 Ų | 197 | 141.9 Ų | 141.9 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | 76.3 | 135.4 | -179.2 | -51.5 | -176.4 | 84.5 | 0 | 0 | 113.6 | ||||
| 8 | A | 33.3 | Very low | 36.3 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | cis | -131.1 | 161.7 | 3.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 9 | L | 32.4 | Very low | 36.2 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -83.8 | 153 | 172.7 | -66.8 | 165.6 | 0 | 0 | 0 | 109.5 | ||||
| 10 | S | 31.3 | Very low | 35.9 | Very low | 106 Ų | 106 | 145.4 Ų | 145.4 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | 47.5 | 130.3 | 78.9 | -121 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 11 | V | 35.7 | Very low | 35.6 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | cis | -148.4 | 131.4 | 25.1 | -168.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 12 | V | 30.9 | Very low | 35.2 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | 43 | 130.9 | 97.6 | 162.8 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 13 | S | 34.3 | Very low | 34.9 | Very low | 91 Ų | 91 | 139.8 Ų | 139.8 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | 75.4 | 106.9 | 158 | -76.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 14 | D | 35.1 | Very low | 34.6 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | 80.5 | 136.9 | 111.5 | -53.2 | -35.9 | 0 | 0 | 0 | 124.9 | |||||
| 15 | D | 36.3 | Very low | 34.2 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | 65.1 | 107.9 | 148.7 | -137.8 | -48.8 | 0 | 0 | 0 | 121.9 | ||||
| 16 | Q | 32.8 | Very low | 33.5 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | -153.8 | 138.1 | 122.8 | -142.1 | 84.3 | 110.3 | 0 | 0 | 112.4 | |||||
| 17 | S | 33.7 | Very low | 33 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -82.2 | 138.3 | 176.1 | 58.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 18 | L | 34.9 | Very low | 32.4 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | trans | -156.1 | 85.5 | 162.1 | -153.4 | 87.1 | 0 | 0 | 0 | 112.8 | ||||
| 19 | F | 34.5 | Very low | 32.2 | Very low | 202 Ų | 202 | 134.4 Ų | 134.4 | 89% | 0.886 | 79% | 0.791 | S | S | * | * | trans | -176.4 | 95.3 | 140.3 | -101.2 | -62.4 | 0 | 0 | 0 | 109.7 | ||||
| 20 | D | 30.5 | Very low | 32.8 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -90.7 | 143.2 | 163.1 | -163.4 | -42.7 | 0 | 0 | 0 | 108.9 | A22 | D20-A22 PolarHBondContact OD1-N 3.27Š| ||
| 21 | S | 30.3 | Very low | 32.8 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | trans | -159.6 | 63.2 | 167.7 | -77.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 22 | A | 31 | Very low | 32.7 | Very low | 80 Ų | 80 | 135.2 Ų | 135.2 | 66% | 0.661 | 80% | 0.796 | S | S | * | * | trans | -55.5 | 135.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | D20 | D20-A22 PolarHBondContact OD1-N 3.27Š| ||
| 23 | Y | 32 | Very low | 32.5 | Very low | 234 Ų | 234 | 135.5 Ų | 135.5 | 92% | 0.918 | 79% | 0.794 | S | S | * | * | trans | -147.3 | 131.4 | 162.9 | -116.6 | -77.9 | 0 | 0 | 0 | 113.5 | ||||
| 24 | G | 31.5 | Very low | 32.7 | Very low | 72 Ų | 72 | 140.6 Ų | 140.6 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | 64.1 | 90.1 | 143.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 25 | A | 29.2 | Very low | 32.9 | Very low | 111 Ų | 111 | 139.7 Ų | 139.7 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | -72.8 | 145.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 26 | A | 30.2 | Very low | 32.6 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 88% | 0.876 | 81% | 0.813 | S | S | * | * | trans | -142.3 | 134.7 | 164 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 27 | A | 31.4 | Very low | 32.5 | Very low | 97 Ų | 97 | 135 Ų | 135 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -118.8 | 168.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 28 | H | 28.4 | Very low | 32.3 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -47.3 | 159.8 | -175.6 | -65.7 | -94.3 | 0 | 0 | 0 | 117.8 | ||||
| 29 | L | 29.5 | Very low | 32.1 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | 120.1 | 153.3 | 148.5 | -69.8 | 150.7 | 0 | 0 | 0 | 114.4 | ||||
| 30 | P | 46 | Very low | 32.9 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | cis | -116.8 | -177.9 | -6 | 38.7 | -25.3 | 0 | 0 | 0 | 113.8 | ||||
| 31 | K | 31.4 | Very low | 32.9 | Very low | 185 Ų | 185 | 127.5 Ų | 127.5 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -76.1 | 161.9 | 165.7 | -66 | 176.1 | 176.8 | 178.6 | 0 | 110.9 | ||||
| 32 | A | 32.4 | Very low | 33 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -113.3 | 131.1 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 33 | D | 26.8 | Very low | 32.9 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 72% | 0.717 | 81% | 0.813 | S | S | * | * | trans | -89.5 | 144.9 | 174.9 | -67.4 | -76 | 0 | 0 | 0 | 111 | ||||
| 34 | M | 39.9 | Very low | 32.9 | Very low | 197 Ų | 197 | 128.6 Ų | 128.6 | 97% | 0.97 | 81% | 0.806 | S | S | * | * | trans | -137.4 | 120.4 | 155.5 | -86 | -162.5 | 70.3 | 0 | 0 | 109.6 | ||||
| 35 | T | 38.2 | Very low | 33.7 | Very low | 129 Ų | 129 | 130 Ų | 130 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -127 | 125.7 | -173.2 | -52.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 36 | A | 30.7 | Very low | 33.8 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -168.2 | 151.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 37 | S | 30.8 | Very low | 33.9 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -35.2 | 162 | 166.1 | 49.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 38 | G | 29.4 | Very low | 34 | Very low | 68 Ų | 68 | 139.8 Ų | 139.8 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | cis | 132.3 | 95.4 | -5.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 39 | S | 31 | Very low | 34.1 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | 66.8 | 165.4 | 159.6 | -97.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 40 | P | 50 | Low | 34.4 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -138.5 | 173.7 | -16.4 | 39.9 | -22.2 | 0 | 0 | 0 | 117.1 | ||||
| 41 | D | 30.2 | Very low | 33.7 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | 87.9 | 153.7 | 137.1 | -124.3 | -15.1 | 0 | 0 | 0 | 126.3 | ||||
| 42 | Y | 32 | Very low | 34.5 | Very low | 211 Ų | 211 | 133.9 Ų | 133.9 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | trans | 59 | 129.8 | 162.2 | -83.3 | -79.3 | 0 | 0 | 0 | 124.9 | ||||
| 43 | G | 29.1 | Very low | 34.9 | Very low | 74 Ų | 74 | 134.3 Ų | 134.3 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | 127.1 | 108.4 | 127.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 44 | Q | 33.7 | Very low | 35.1 | Very low | 164 Ų | 164 | 135 Ų | 135 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -102.7 | 159 | 150.1 | -99 | -80.9 | -51.5 | 0 | 0 | 107.7 | ||||
| 45 | P | 47.1 | Very low | 34.6 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | -157.1 | 166.8 | 55.5 | 40.5 | -17.3 | 0 | 0 | 0 | 121.5 | |||||
| 46 | H | 32.4 | Very low | 34 | Very low | 162 Ų | 162 | 134.1 Ų | 134.1 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | trans | 37.5 | 134.2 | 144.8 | -53.6 | -43.5 | 0 | 0 | 0 | 126.1 | ||||
| 47 | K | 31 | Very low | 33.8 | Very low | 192 Ų | 192 | 139.9 Ų | 139.9 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | -170.3 | 120.9 | 137.1 | -102.9 | 165.2 | -176.7 | 178.5 | 0 | 109.1 | ||||
| 48 | I | 33 | Very low | 33.8 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | 86 | 133.8 | 76.9 | -68.5 | 173.2 | 0 | 0 | 0 | 114.7 | |||||
| 49 | N | 31.2 | Very low | 33.7 | Very low | 138 Ų | 138 | 143.9 Ų | 143.9 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | -90.2 | 165.7 | -165.1 | -123.6 | 13.3 | 0 | 0 | 0 | 114.5 | ||||
| 50 | P | 37.3 | Very low | 33.7 | Very low | 123 Ų | 123 | 145.5 Ų | 145.5 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | -151.9 | 169.6 | 98.4 | 38.7 | -20.1 | 0 | 0 | 0 | 118.6 | |||||
| 51 | L | 30.5 | Very low | 33.2 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -114.8 | 179.6 | 167.9 | -92.8 | 162.6 | 0 | 0 | 0 | 108.9 | ||||
| 52 | P | 47.3 | Very low | 33 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | cis | -136.4 | -148.5 | 22.4 | 44.9 | -24 | 0 | 0 | 0 | 112.7 | ||||
| 53 | P | 41.6 | Very low | 32.9 | Very low | 112 Ų | 112 | 146 Ų | 146 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | cis | -121.5 | -177.7 | -17.3 | 40.2 | -23.7 | 0 | 0 | 0 | 113.4 | ||||
| 54 | Q | 30.5 | Very low | 32.7 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | cis | 109.8 | 98.9 | -1.3 | -167.8 | -98.7 | -65.4 | 0 | 0 | 118.6 | ||||
| 55 | Q | 28.9 | Very low | 32.4 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | trans | -163.8 | 105.4 | 158.1 | -154.9 | 111.8 | 61.3 | 0 | 0 | 108.7 | ||||
| 56 | E | 26.8 | Very low | 31.5 | Very low | 142 Ų | 142 | 149.4 Ų | 149.4 | 66% | 0.664 | 77% | 0.765 | S | S | * | * | 67 | 150.5 | 95.7 | -53.9 | 175.4 | 117.7 | 0 | 0 | 116 | |||||
| 57 | W | 25.8 | Very low | 31.3 | Very low | 215 Ų | 215 | 148.4 Ų | 148.4 | 81% | 0.814 | 76% | 0.759 | S | S | * | * | cis | -158.5 | 149.7 | 25.1 | 53.9 | -62.7 | 0 | 0 | 0 | 113.7 | ||||
| 58 | I | 31.7 | Very low | 31.4 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | trans | 64.7 | 142.4 | 143.3 | -90.8 | 163.4 | 0 | 0 | 0 | 120.3 | ||||
| 59 | N | 26.9 | Very low | 31 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | cis | -150 | 160.9 | 2 | -124.5 | -23.5 | 0 | 0 | 0 | 113 | ||||
| 60 | Q | 30 | Very low | 30.7 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -151.8 | 154.1 | 161.3 | -126.4 | -165.9 | 67.9 | 0 | 0 | 110.1 | ||||
| 61 | P | 39.7 | Very low | 30.2 | Very low | 117 Ų | 117 | 152.6 Ų | 152.6 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | -148.2 | 179.5 | 109.3 | 43.1 | -28.4 | 0 | 0 | 0 | 112.2 | |||||
| 62 | V | 27.8 | Very low | 30.3 | Very low | 113 Ų | 113 | 152.3 Ų | 152.3 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | cis | -133.7 | 146.4 | 5.4 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 63 | R | 27.9 | Very low | 29.5 | Very low | 237 Ų | 237 | 155 Ų | 155 | 89% | 0.894 | 75% | 0.749 | S | S | * | * | trans | -133.4 | 137.6 | 151.9 | -72.6 | -164.7 | -178.2 | -139.4 | 2.6 | 110.3 | ||||
| 64 | V | 25.6 | Very low | 28.8 | Very low | 136 Ų | 136 | 157.3 Ų | 157.3 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | -89.3 | 136.1 | 173.8 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 65 | N | 27.4 | Very low | 28.7 | Very low | 140 Ų | 140 | 153.1 Ų | 153.1 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | -121.3 | 142.1 | -179 | -178.3 | 25.7 | 0 | 0 | 0 | 109.7 | ||||
| 66 | V | 27.9 | Very low | 28.8 | Very low | 137 Ų | 137 | 149.5 Ų | 149.5 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | trans | -126 | 107.7 | 171.7 | -179.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 67 | K | 29.2 | Very low | 29.1 | Very low | 141 Ų | 141 | 153.1 Ų | 153.1 | 61% | 0.613 | 75% | 0.753 | S | S | * | * | trans | -83.9 | 143.9 | 178.6 | -176.5 | -169.8 | 166.5 | -146.5 | 0 | 110.2 | E69 | K67-E69 WeakPolarHBondContact CE-OE1 3.48Å; K67-E69 IonicContact NZ-OE1 3.29Å; K67-E69 PolarHBondContact NZ-OE1 3.07Å; K67-E69 IonicContact NZ-OE2 3.58Å; K67-E69 PolarHBondContact NZ-OE2 3.32Å | ||
| 68 | R | 33 | Very low | 29.3 | Very low | 219 Ų | 219 | 150.7 Ų | 150.7 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | -81.1 | 133.3 | 170.2 | -179.5 | -169 | -62.4 | 163.1 | -0.2 | 110.3 | ||||
| 69 | E | 24 | Very low | 29.5 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 70% | 0.696 | 76% | 0.755 | S | S | * | * | trans | -138.2 | 164.4 | 163.8 | -133.2 | 111.6 | -135.9 | 0 | 0 | 108.3 | K67 | K67-E69 WeakPolarHBondContact CE-OE1 3.48Å; K67-E69 IonicContact NZ-OE1 3.29Å; K67-E69 PolarHBondContact NZ-OE1 3.07Å; K67-E69 IonicContact NZ-OE2 3.58Å; K67-E69 PolarHBondContact NZ-OE2 3.32Å | ||
| 70 | Y | 24.3 | Very low | 30.3 | Very low | 205 Ų | 205 | 148.4 Ų | 148.4 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -157.8 | 122.2 | -156.1 | -157 | -77.2 | 0 | 0 | 0 | 112 | ||||
| 71 | D | 26.9 | Very low | 30.7 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | trans | -147.8 | 126.6 | 175 | -93.3 | -63.7 | 0 | 0 | 0 | 112.7 | ||||
| 72 | H | 33.4 | Very low | 30.2 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 69% | 0.685 | 76% | 0.762 | S | S | * | * | trans | 27.6 | 139.2 | 133.3 | -55.5 | 107.7 | 0 | 0 | 0 | 120.9 | ||||
| 73 | M | 29.7 | Very low | 30.4 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | cis | -172.6 | 137 | -1.1 | -177.2 | 97.4 | 74.7 | 0 | 0 | 110.4 | ||||
| 74 | N | 27 | Very low | 30.6 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | trans | -170.4 | 152.1 | 133.6 | -158.9 | 9.7 | 0 | 0 | 0 | 111.5 | ||||
| 75 | G | 28.5 | Very low | 31 | Very low | 59 Ų | 59 | 144.4 Ų | 144.4 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | trans | -104.8 | -161.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 76 | S | 31.9 | Very low | 31 | Very low | 90 Ų | 90 | 143.1 Ų | 143.1 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | cis | -167.6 | 139.3 | 3.8 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 77 | R | 32.3 | Very low | 31.2 | Very low | 218 Ų | 218 | 145.9 Ų | 145.9 | 82% | 0.823 | 77% | 0.771 | S | S | * | * | trans | 57.5 | 173.6 | 153.3 | -71.5 | 176.7 | 177.1 | 145.4 | 1.3 | 117.2 | ||||
| 78 | E | 29.8 | Very low | 31.6 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | cis | -112.4 | 166 | 1.3 | -98 | 76 | -137.5 | 0 | 0 | 114.1 | ||||
| 79 | S | 36.3 | Very low | 31.3 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -127 | 124 | 158.1 | 172.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 80 | P | 43.9 | Very low | 31.8 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | trans | -94.7 | 121.7 | 165.8 | -2.2 | 22.3 | 0 | 0 | 0 | 110.5 | ||||
| 81 | V | 39.4 | Very low | 32.3 | Very low | 133 Ų | 133 | 138 Ų | 138 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -88 | 138.2 | 149.5 | -71.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 82 | D | 28.8 | Very low | 32.6 | Very low | 160 Ų | 160 | 138.1 Ų | 138.1 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -146.7 | 136.6 | 162.7 | -124 | -36.4 | 0 | 0 | 0 | 111.2 | ||||
| 83 | C | 32.3 | Very low | 32.4 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -104 | 138.1 | 179.7 | -74.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 84 | S | 31.3 | Very low | 32.3 | Very low | 127 Ų | 127 | 131 Ų | 131 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -146 | 128 | 165.9 | -86 | 0 | 0 | 0 | 0 | 112 | ||||
| 85 | V | 33.9 | Very low | 32.4 | Very low | 141 Ų | 141 | 126.6 Ų | 126.6 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -105.9 | 120.6 | -176.4 | 172.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 86 | S | 28.3 | Very low | 32.5 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | 174.6 | 147.8 | 159 | -89.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 87 | K | 31.4 | Very low | 32.6 | Very low | 195 Ų | 195 | 134.5 Ų | 134.5 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | cis | -160.8 | 149.6 | -10.6 | 178.6 | 175.6 | 176.8 | -179.3 | 0 | 108.2 | ||||
| 88 | C | 37.6 | Very low | 32.6 | Very low | 110 Ų | 110 | 131 Ų | 131 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | -72.1 | 143.2 | 174.5 | -179.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 89 | S | 26.3 | Very low | 33.3 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -146.7 | 159.2 | 155.8 | -160.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 90 | K | 34.3 | Very low | 33.3 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 74% | 0.735 | 81% | 0.809 | S | S | * | * | trans | -156.8 | 162.2 | -160.4 | -167.1 | -173.5 | 177.7 | -177.3 | 0 | 110.8 | ||||
| 91 | L | 35.7 | Very low | 33.1 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | 74.9 | 152.6 | 174.4 | -40.1 | 172.6 | 0 | 0 | 0 | 112.9 | ||||
| 92 | V | 32.8 | Very low | 32.6 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | cis | -138.7 | 154.3 | 7 | 178.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 93 | G | 28.3 | Very low | 32.9 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | cis | 137.5 | 102.8 | -6.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 94 | G | 27.5 | Very low | 32.7 | Very low | 88 Ų | 88 | 133.4 Ų | 133.4 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | 134.1 | 143.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 95 | G | 29.7 | Very low | 32.9 | Very low | 70 Ų | 70 | 137.5 Ų | 137.5 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | cis | -173.8 | 178.4 | -3.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 96 | E | 30.5 | Very low | 33.3 | Very low | 207 Ų | 207 | 138.3 Ų | 138.3 | 97% | 0.967 | 79% | 0.786 | S | S | * | * | trans | 66.7 | 171.6 | 173.4 | -52.8 | -157.4 | 135.2 | 0 | 0 | 118.2 | ||||
| 97 | S | 34.8 | Very low | 33.6 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -146.4 | 127.9 | -148.4 | 57.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 98 | N | 32.1 | Very low | 33.8 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | trans | -165.6 | 153.4 | 140.8 | -113.3 | -21.2 | 0 | 0 | 0 | 111.7 | M100 | N98-M100 HydrophobicContact CB-SD 4.5Š| ||
| 99 | P | 43.8 | Very low | 33.7 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -92.4 | 109 | -178.2 | 34 | -30 | 0 | 0 | 0 | 112.1 | ||||
| 100 | M | 36.2 | Very low | 34 | Very low | 165 Ų | 165 | 143 Ų | 143 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -104.1 | 128.6 | 173.8 | -100.6 | 59.6 | -164 | 0 | 0 | 112 | N98 | N98-M100 HydrophobicContact CB-SD 4.5Š| ||
| 101 | N | 39.8 | Very low | 34.4 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | -62.2 | 126.6 | -177.1 | 179.2 | 20.7 | 0 | 0 | 0 | 112.4 | ||||
| 102 | Y | 29.4 | Very low | 34.8 | Very low | 219 Ų | 219 | 136.7 Ų | 136.7 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | -119.3 | 92.1 | 175.2 | -139.9 | -84.4 | 0 | 0 | 0 | 110.9 | S104 | Y102-S104 PolarHBondContact O-N 3.11Š| ||
| 103 | N | 34.6 | Very low | 35.2 | Very low | 121 Ų | 121 | 135.7 Ų | 135.7 | 65% | 0.647 | 77% | 0.773 | S | S | * | * | trans | -68.4 | 101.4 | 171.7 | -84.5 | -43.3 | 0 | 0 | 0 | 109.8 | Y105 | N103-Y105 PolarHBondContact O-N 2.82Š| ||
| 104 | S | 27.4 | Very low | 35.4 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | -77.4 | 83 | 176 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | Y102 M106 | Y102-S104 PolarHBondContact O-N 3.11Å; S104-M106 PolarHBondContact O-N 2.76Å | ||
| 105 | Y | 37.3 | Very low | 36 | Very low | 212 Ų | 212 | 139.4 Ų | 139.4 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -61.9 | 130.2 | 164.3 | -91.6 | -95.8 | 0 | 0 | 0 | 110.1 | N103 | N103-Y105 PolarHBondContact O-N 2.82Š| ||
| 106 | M | 40.9 | Very low | 36.2 | Very low | 158 Ų | 158 | 143 Ų | 143 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | trans | -82.7 | 117.7 | 172 | -63.4 | -64.7 | -175.6 | 0 | 0 | 109.2 | S104 E108 | S104-M106 PolarHBondContact O-N 2.76Å; M106-E108 PolarHBondContact O-N 3.03Å | ||
| 107 | D | 35.2 | Very low | 36 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -81.7 | 88.9 | 166.6 | -171.3 | -110.8 | 0 | 0 | 0 | 108.6 | K109 | D107-K109 VanDerWaalsContact C-N 3.25Å; D107-K109 PolarHBondContact O-N 2.84Å | ||
| 108 | E | 35.5 | Very low | 36 | Very low | 158 Ų | 158 | 142 Ų | 142 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | -78.8 | 77.2 | -176.9 | -159.5 | 172.9 | 147.1 | 0 | 0 | 111 | M106 N110 | M106-E108 PolarHBondContact O-N 3.03Å; E108-N110 VanDerWaalsContact C-N 3.34Å; E108-N110 PolarHBondContact O-N 3.34Å; E108-N110 PolarHBondContact O-ND2 3.12Å | ||
| 109 | K | 34.5 | Very low | 36.4 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 81% | 0.809 | 76% | 0.763 | S | S | * | * | trans | -68 | 88.1 | 179.4 | -174 | 177.8 | 177.2 | 176.1 | 0 | 111.6 | D107 G111 | D107-K109 VanDerWaalsContact C-N 3.25Å; D107-K109 PolarHBondContact O-N 2.84Å; K109-G111 PolarHBondContact O-N 2.87Å | ||
| 110 | N | 33.9 | Very low | 35.9 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -48.6 | 117.3 | 177.3 | -75.2 | -86.9 | 0 | 0 | 0 | 113.2 | E108 | E108-N110 VanDerWaalsContact C-N 3.34Å; E108-N110 PolarHBondContact O-N 3.34Å; E108-N110 PolarHBondContact O-ND2 3.12Å |
| 111 | G | 42.8 | Very low | 35.8 | Very low | 58 Ų | 58 | 142.2 Ų | 142.2 | 60% | 0.598 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 152.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K109 | K109-G111 PolarHBondContact O-N 2.87Š|
| 112 | P | 43.7 | Very low | 35.7 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 134.5 | -179.8 | 28 | -34.1 | 0 | 0 | 0 | 111.5 | ||
| 113 | P | 40.7 | Very low | 36.3 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 152.7 | 179.8 | 30.2 | -35.2 | 0 | 0 | 0 | 112.6 | ||
| 114 | P | 32.6 | Very low | 36.7 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 154.1 | 175 | 30.6 | -35.4 | 0 | 0 | 0 | 112.1 | ||
| 115 | P | 40.3 | Very low | 38 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 132.6 | -169.9 | 30.2 | -35.4 | 0 | 0 | 0 | 114.3 | ||
| 116 | N | 35 | Very low | 39 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | trans | 32.9 | 107.7 | 155.9 | -76.2 | -26.1 | 0 | 0 | 0 | 119.4 | ||||
| 117 | M | 26 | Very low | 40.1 | Very low | 182 Ų | 182 | 131 Ų | 131 | 90% | 0.897 | 70% | 0.698 | S | S | * | * | trans | -115.3 | 113.6 | 139.8 | -74 | -165.4 | 72.4 | 0 | 0 | 109.4 | ||||
| 118 | T | 35.2 | Very low | 41.5 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 68% | 0.681 | 69% | 0.69 | S | S | * | * | trans | -92.5 | 111.7 | -178 | 47.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 119 | T | 39 | Very low | 43.5 | Very low | 123 Ų | 123 | 121.3 Ų | 121.3 | 76% | 0.755 | 66% | 0.662 | S | S | * | * | trans | -104.7 | 2.5 | -177.4 | 51.4 | 0 | 0 | 0 | 0 | 114.4 | E121 | T119-E121 VanDerWaalsContact C-N 3.32Å; T119-E121 PolarHBondContact O-N 3.02Å; T119-E121 VanDerWaalsContact O-N 3.09Å | ||
| 120 | N | 32.8 | Very low | 45.9 | Very low | 158 Ų | 158 | 112.5 Ų | 112.5 | 85% | 0.845 | 62% | 0.623 | S | S | * | * | trans | -87.3 | 58.2 | -174.6 | -73 | -32 | 0 | 0 | 0 | 113.1 | ||||
| 121 | E | 35 | Very low | 48.3 | Very low | 151 Ų | 151 | 107.8 Ų | 107.8 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | trans | -117.7 | 117.6 | 175 | -71.6 | -163.8 | -141.7 | 0 | 0 | 113 | T119 | T119-E121 VanDerWaalsContact C-N 3.32Å; T119-E121 PolarHBondContact O-N 3.02Å; T119-E121 VanDerWaalsContact O-N 3.09Å | ||
| 122 | R | 37 | Very low | 50.3 | Low | 203 Ų | 203 | 110.5 Ų | 110.5 | 77% | 0.766 | 60% | 0.601 | S | S | * | * | trans | 68.4 | 60.2 | 156.6 | -153.5 | -174.8 | -54.4 | -101.4 | -3.1 | 116.8 | ||||
| 123 | R | 43.8 | Very low | 52.5 | Low | 230 Ų | 230 | 104.7 Ų | 104.7 | 87% | 0.868 | 56% | 0.562 | S | S | * | * | trans | -120.7 | 137.2 | 151.9 | -76.6 | -173.7 | 173.5 | 164.5 | -0.7 | 110.7 | ||||
| 124 | V | 42.3 | Very low | 54.7 | Low | 48 Ų | 48 | 102.5 Ų | 102.5 | 29% | 0.291 | 55% | 0.547 | S | S | . | . | trans | -77.8 | 138.5 | 176.8 | 160.4 | 0 | 0 | 0 | 0 | 109.3 | V126 Q140 W144 | V124-V126 HydrophobicContact CG1-CG1 3.79Å; V124-Q140 HydrophobicContact CB-CB 4.31Å; V124-Q140 HydrophobicContact CG1-CB 3.59Å; V124-Q140 HydrophobicContact CG2-CB 3.78Å; V124-Q140 HydrophobicContact CG2-CG 4.26Å; V124-W144 HydrophobicContact CB-CB 4.2Å; V124-W144 HydrophobicContact CG2-CB 4.12Å | ||
| 125 | I | 54.8 | Low | 57.4 | Low | 140 Ų | 140 | 102.1 Ų | 102.1 | 72% | 0.718 | 54% | 0.535 | S | S | * | . | trans | -119.4 | 117 | 172.1 | -56.3 | 177 | 0 | 0 | 0 | 107.3 | ||||
| 126 | V | 57.3 | Low | 59.5 | Low | 39 Ų | 39 | 100 Ų | 100 | 24% | 0.236 | 51% | 0.514 | C | S | . | . | trans | -121.8 | 149.9 | 172.8 | -66.6 | 0 | 0 | 0 | 0 | 109.4 | V124 W133 H137 W141 | V124-V126 HydrophobicContact CG1-CG1 3.79Å; V126-W133 HydrophobicContact CB-CD2 4.45Å; V126-W133 HydrophobicContact CB-CZ2 4.01Å; V126-W133 HydrophobicContact CG2-CH2 4.3Å; V126-W133 HydrophobicContact CG2-CZ2 3.48Å; V126-W133 VanDerWaalsContact CG2-CZ2 3.48Å; V126-H137 HydrophobicContact CB-CB 4.28Å; V126-H137 HydrophobicContact CG1-CB 3.76Å; V126-H137 WeakPolarHBondContact CG1-O 3.31Å; V126-W141 HydrophobicContact CG1-CB 4.26Å | ||
| 127 | P | 64.6 | Low | 62 | Low | 39 Ų | 39 | 95.5 Ų | 95.5 | 25% | 0.253 | 49% | 0.488 | S | S | . | . | trans | -53 | 149.4 | 175.3 | -26.6 | 32.6 | 0 | 0 | 0 | 112.7 | D129 L132 W133 H137 | P127-D129 PolarHBondContact O-N 3.37Å; P127-L132 HydrophobicContact CB-CB 4.18Å; P127-W133 PolarHBondContact O-NE1 3.43Å; P127-H137 VanDerWaalsContact CD-ND1 3.32Å; P127-H137 WeakPolarHBondContact CD-ND1 3.47Å | ||
| 128 | A | 63.8 | Low | 65.1 | Low | 75 Ų | 75 | 86.8 Ų | 86.8 | 62% | 0.62 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -61.5 | -43.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | P130 S198 | A128-P130 WeakPolarHBondContact O-CD 3.25Å; A128-S198 VanDerWaalsContact C-OG 3.3Å; A128-S198 PolarHBondContact O-OG 3.09Å |
| 129 | D | 78.1 | Confident | 67.6 | Low | 29 Ų | 29 | 85.5 Ų | 85.5 | 16% | 0.155 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -83.6 | 117.5 | 174 | -175.9 | -17.7 | 0 | 0 | 0 | 110.5 | P127 T131 L132 S198 Y202 | P127-D129 PolarHBondContact O-N 3.37Å; D129-T131 PolarHBondContact O-N 2.99Å; D129-T131 WeakPolarHBondContact OD1-CB 3.3Å; D129-T131 WeakPolarHBondContact OD1-CG2 3.24Å; D129-T131 PolarHBondContact OD1-N 2.9Å; D129-T131 PolarHBondContact OD1-OG1 3.16Å; D129-T131 PolarHBondContact OD2-OG1 2.96Å; D129-T131 VanDerWaalsContact OD2-OG1 3.07Å; D129-L132 HydrophobicContact CB-CD1 4.12Å; D129-L132 HydrophobicContact CB-CG 4.11Å; D129-L132 PolarHBondContact O-N 3.49Å; D129-L132 VanDerWaalsContact O-N 3.08Å; D129-S198 WeakPolarHBondContact CA-OG 3.23Å; D129-S198 PolarHBondContact N-OG 2.74Å; D129-Y202 PolarHBondContact OD2-OH 2.77Å |
| 130 | P | 84.1 | Confident | 69.8 | Low | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -63 | -21.5 | 178.1 | -23.2 | 36.3 | 0 | 0 | 0 | 114.7 | A128 L132 W133 G164 L191 L194 R195 | A128-P130 WeakPolarHBondContact O-CD 3.25Å; P130-L132 PolarHBondContact O-N 3.11Å; P130-W133 HydrophobicContact CB-CD2 4.13Å; P130-W133 HydrophobicContact CB-CE3 4.35Å; P130-W133 HydrophobicContact CB-CH2 4.43Å; P130-W133 HydrophobicContact CB-CZ2 4.2Å; P130-W133 HydrophobicContact CB-CZ3 4.49Å; P130-W133 HydrophobicContact CG-CZ2 4.18Å; P130-W133 WeakPolarHBondContact O-CB 3.44Å; P130-W133 PolarHBondContact O-N 3.05Å; P130-W133 VanDerWaalsContact O-N 3.17Å; P130-G164 CarbonylContact O-C 3.59Å; P130-G164 WeakPolarHBondContact O-CA 3.4Å; P130-L191 HydrophobicContact CB-CD1 3.57Å; P130-L191 HydrophobicContact CG-CD1 3.88Å; P130-L194 HydrophobicContact CG-CB 3.6Å; P130-L194 HydrophobicContact CG-CD1 3.99Å; P130-L194 HydrophobicContact CG-CG 4.48Å; P130-R195 HydrophobicContact CG-CG 4.09Å |
| 131 | T | 85.9 | Confident | 72.5 | Confident | 48 Ų | 48 | 74.6 Ų | 74.6 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -71.3 | -10.1 | 175.4 | 72.2 | 0 | 0 | 0 | 0 | 113.4 | D129 K165 C168 | D129-T131 PolarHBondContact O-N 2.99Å; D129-T131 WeakPolarHBondContact OD1-CB 3.3Å; D129-T131 WeakPolarHBondContact OD1-CG2 3.24Å; D129-T131 PolarHBondContact OD1-N 2.9Å; D129-T131 PolarHBondContact OD1-OG1 3.16Å; D129-T131 PolarHBondContact OD2-OG1 2.96Å; D129-T131 VanDerWaalsContact OD2-OG1 3.07Å; T131-K165 VanDerWaalsContact O-CE 3.25Å; T131-K165 WeakPolarHBondContact O-CE 3.28Å; T131-K165 VanDerWaalsContact O-CG 3.24Å; T131-K165 WeakPolarHBondContact O-CG 3.31Å; T131-C168 HydrophobicContact CG2-CB 4.24Å |
| 132 | L | 84.3 | Confident | 75.1 | Confident | 115 Ų | 115 | 67.6 Ų | 67.6 | 60% | 0.602 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -99 | 5.6 | 174 | -56.5 | -178.4 | 0 | 0 | 0 | 113 | P127 D129 P130 | P127-L132 HydrophobicContact CB-CB 4.18Å; D129-L132 HydrophobicContact CB-CD1 4.12Å; D129-L132 HydrophobicContact CB-CG 4.11Å; D129-L132 PolarHBondContact O-N 3.49Å; D129-L132 VanDerWaalsContact O-N 3.08Å; P130-L132 PolarHBondContact O-N 3.11Å |
| 133 | W | 88.9 | Confident | 77.5 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 2% | 0.019 | 32% | 0.316 | C | S | . | . | trans | -74 | 138.6 | 179.1 | -67.5 | 4.8 | 0 | 0 | 0 | 112.1 | V126 P127 P130 H137 V138 W141 G164 L167 L191 L194 | V126-W133 HydrophobicContact CB-CD2 4.45Å; V126-W133 HydrophobicContact CB-CZ2 4.01Å; V126-W133 HydrophobicContact CG2-CH2 4.3Å; V126-W133 HydrophobicContact CG2-CZ2 3.48Å; V126-W133 VanDerWaalsContact CG2-CZ2 3.48Å; P127-W133 PolarHBondContact O-NE1 3.43Å; P130-W133 HydrophobicContact CB-CD2 4.13Å; P130-W133 HydrophobicContact CB-CE3 4.35Å; P130-W133 HydrophobicContact CB-CH2 4.43Å; P130-W133 HydrophobicContact CB-CZ2 4.2Å; P130-W133 HydrophobicContact CB-CZ3 4.49Å; P130-W133 HydrophobicContact CG-CZ2 4.18Å; P130-W133 WeakPolarHBondContact O-CB 3.44Å; P130-W133 PolarHBondContact O-N 3.05Å; P130-W133 VanDerWaalsContact O-N 3.17Å; W133-H137 HydrophobicContact CB-CB 3.74Å; W133-H137 HydrophobicContact CD2-CB 4.46Å; W133-H137 HydrophobicContact CG-CB 3.88Å; W133-V138 HydrophobicContact CB-CG2 4.12Å; W133-V138 HydrophobicContact CE3-CG2 4.12Å; W133-W141 HydrophobicContact CE3-CB 4.45Å; W133-W141 HydrophobicContact CH2-CB 3.85Å; W133-W141 AromaticContact CH2-CD1 3.55Å; W133-W141 AromaticContact CH2-CD2 3.72Å; W133-W141 HydrophobicContact CH2-CD2 3.72Å; W133-W141 AromaticContact CH2-CE2 4Å; W133-W141 HydrophobicContact CH2-CE3 4.45Å; W133-W141 AromaticContact CH2-CG 3.4Å; W133-W141 HydrophobicContact CH2-CG 3.4Å; W133-W141 VanDerWaalsContact CH2-CG 3.4Å; W133-W141 AromaticContact CH2-NE1 3.91Å; W133-W141 HydrophobicContact CZ2-CG 4.45Å; W133-W141 HydrophobicContact CZ3-CB 3.76Å; W133-W141 AromaticContact CZ3-CD2 3.49Å; W133-W141 HydrophobicContact CZ3-CD2 3.49Å; W133-W141 VanDerWaalsContact CZ3-CD2 3.49Å; W133-W141 AromaticContact CZ3-CE3 3.77Å; W133-W141 HydrophobicContact CZ3-CE3 3.77Å; W133-W141 AromaticContact CZ3-CG 3.49Å; W133-W141 HydrophobicContact CZ3-CG 3.49Å; W133-W141 VanDerWaalsContact CZ3-CG 3.49Å; W133-G164 PolarHBondContact O-N 3.39Å; W133-L167 HydrophobicContact CE3-CD2 3.75Å; W133-L167 HydrophobicContact CZ3-CD2 3.66Å; W133-L191 HydrophobicContact CZ3-CD1 4.33Å; W133-L194 HydrophobicContact CH2-CD1 3.58Å; W133-L194 HydrophobicContact CZ2-CD1 3.51Å | ||
| 134 | T | 88.2 | Confident | 79.6 | Confident | 71 Ų | 71 | 54.7 Ų | 54.7 | 44% | 0.436 | 29% | 0.286 | S | S | . | . | trans | -88.4 | 169.2 | 167 | 63.2 | 0 | 0 | 0 | 0 | 109.2 | E136 H137 V138 | T134-E136 PolarHBondContact O-N 3.42Å; T134-E136 VanDerWaalsContact O-N 3.15Å; T134-H137 PolarHBondContact N-ND1 3.15Å; T134-H137 WeakPolarHBondContact O-CA 3.28Å; T134-H137 WeakPolarHBondContact O-CB 3.46Å; T134-H137 PolarHBondContact O-N 3.34Å; T134-H137 PolarHBondContact OG1-N 2.95Å; T134-H137 PolarHBondContact OG1-ND1 3.5Å; T134-V138 PolarHBondContact O-N 2.87Å | ||
| 135 | Q | 88.8 | Confident | 81.7 | Confident | 111 Ų | 111 | 52.4 Ų | 52.4 | 52% | 0.519 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -49.3 | -39.6 | 172.6 | 66.7 | -170.6 | 64.5 | 0 | 0 | 113 | V138 R139 M162 | Q135-V138 PolarHBondContact O-N 2.62Å; Q135-R139 VanDerWaalsContact O-CB 3.31Å; Q135-R139 WeakPolarHBondContact O-CB 3.46Å; Q135-R139 PolarHBondContact O-N 3.37Å; Q135-M162 WeakPolarHBondContact CA-O 3.26Å |
| 136 | E | 85.3 | Confident | 83.3 | Confident | 78 Ų | 78 | 48.1 Ų | 48.1 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -77.6 | -23.3 | -179.9 | -171.3 | 53.7 | -144.8 | 0 | 0 | 112.7 | T134 R139 Q140 | T134-E136 PolarHBondContact O-N 3.42Å; T134-E136 VanDerWaalsContact O-N 3.15Å; E136-R139 VanDerWaalsContact CD-NE 3.31Å; E136-R139 IonicContact OE1-CZ 2.68Å; E136-R139 VanDerWaalsContact OE1-CZ 3.3Å; E136-R139 IonicContact OE1-NE 2.69Å; E136-R139 PolarHBondContact OE1-NE 2.96Å; E136-R139 IonicContact OE1-NH2 2.76Å; E136-R139 PolarHBondContact OE1-NH2 3.44Å; E136-R139 WeakPolarHBondContact OE2-CD 3.39Å; E136-R139 IonicContact OE2-CZ 3.03Å; E136-R139 IonicContact OE2-NE 3.84Å; E136-R139 PolarHBondContact OE2-NE 3.1Å; E136-Q140 VanDerWaalsContact O-CB 3.3Å; E136-Q140 WeakPolarHBondContact O-CB 3.49Å; E136-Q140 VanDerWaalsContact O-CG 3.23Å; E136-Q140 WeakPolarHBondContact O-CG 3.3Å; E136-Q140 PolarHBondContact O-N 3.07Å; E136-Q140 VanDerWaalsContact O-N 3.11Å; E136-Q140 PolarHBondContact O-NE2 2.89Å; E136-Q140 WeakPolarHBondContact OE1-CG 3.48Å |
| 137 | H | 87.4 | Confident | 84.7 | Confident | 49 Ų | 49 | 53.2 Ų | 53.2 | 23% | 0.227 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72 | -43.9 | 167.9 | -65 | 148.7 | 0 | 0 | 0 | 110.8 | V126 P127 W133 T134 Q140 W141 | V126-H137 HydrophobicContact CB-CB 4.28Å; V126-H137 HydrophobicContact CG1-CB 3.76Å; V126-H137 WeakPolarHBondContact CG1-O 3.31Å; P127-H137 VanDerWaalsContact CD-ND1 3.32Å; P127-H137 WeakPolarHBondContact CD-ND1 3.47Å; W133-H137 HydrophobicContact CB-CB 3.74Å; W133-H137 HydrophobicContact CD2-CB 4.46Å; W133-H137 HydrophobicContact CG-CB 3.88Å; T134-H137 PolarHBondContact N-ND1 3.15Å; T134-H137 WeakPolarHBondContact O-CA 3.28Å; T134-H137 WeakPolarHBondContact O-CB 3.46Å; T134-H137 PolarHBondContact O-N 3.34Å; T134-H137 PolarHBondContact OG1-N 2.95Å; T134-H137 PolarHBondContact OG1-ND1 3.5Å; H137-Q140 PolarHBondContact O-N 2.81Å; H137-W141 WeakPolarHBondContact O-CB 3.47Å; H137-W141 PolarHBondContact O-N 3.04Å |
| 138 | V | 89.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 174.3 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | W133 T134 Q135 W141 L142 F159 M162 L167 | W133-V138 HydrophobicContact CB-CG2 4.12Å; W133-V138 HydrophobicContact CE3-CG2 4.12Å; T134-V138 PolarHBondContact O-N 2.87Å; Q135-V138 PolarHBondContact O-N 2.62Å; V138-W141 PolarHBondContact O-N 3.41Å; V138-L142 WeakPolarHBondContact O-CB 3.43Å; V138-L142 PolarHBondContact O-N 3.29Å; V138-F159 HydrophobicContact CG1-CB 4.46Å; V138-M162 WeakPolarHBondContact CG2-O 3.31Å; V138-L167 HydrophobicContact CG1-CD1 4.38Å; V138-L167 HydrophobicContact CG1-CD2 4.25Å; V138-L167 HydrophobicContact CG2-CD2 4.17Å |
| 139 | R | 88.4 | Confident | 86.6 | Confident | 84 Ų | 84 | 58.6 Ų | 58.6 | 32% | 0.317 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59 | -49.4 | 179.5 | -158.3 | -165.9 | 72.3 | 63.3 | 23.1 | 112 | Q135 E136 L142 E143 | Q135-R139 VanDerWaalsContact O-CB 3.31Å; Q135-R139 WeakPolarHBondContact O-CB 3.46Å; Q135-R139 PolarHBondContact O-N 3.37Å; E136-R139 VanDerWaalsContact CD-NE 3.31Å; E136-R139 IonicContact OE1-CZ 2.68Å; E136-R139 VanDerWaalsContact OE1-CZ 3.3Å; E136-R139 IonicContact OE1-NE 2.69Å; E136-R139 PolarHBondContact OE1-NE 2.96Å; E136-R139 IonicContact OE1-NH2 2.76Å; E136-R139 PolarHBondContact OE1-NH2 3.44Å; E136-R139 WeakPolarHBondContact OE2-CD 3.39Å; E136-R139 IonicContact OE2-CZ 3.03Å; E136-R139 IonicContact OE2-NE 3.84Å; E136-R139 PolarHBondContact OE2-NE 3.1Å; R139-L142 PolarHBondContact O-N 3.34Å; R139-E143 IonicContact CZ-OE1 3.06Å; R139-E143 IonicContact CZ-OE2 3.3Å; R139-E143 IonicContact NH1-OE1 3.95Å; R139-E143 PolarHBondContact NH1-OE1 3.01Å; R139-E143 IonicContact NH1-OE2 3.33Å; R139-E143 PolarHBondContact NH1-OE2 3.35Å; R139-E143 VanDerWaalsContact NH1-OE2 3.12Å; R139-E143 IonicContact NH2-OE1 2.84Å; R139-E143 IonicContact NH2-OE2 2.82Å; R139-E143 PolarHBondContact NH2-OE2 3.3Å; R139-E143 PolarHBondContact O-N 3.21Å |
| 140 | Q | 85.3 | Confident | 87 | Confident | 49 Ų | 49 | 59.5 Ų | 59.5 | 23% | 0.229 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 177.4 | -78 | 177.2 | 90.7 | 0 | 0 | 113.1 | V124 E136 H137 L142 E143 W144 | V124-Q140 HydrophobicContact CB-CB 4.31Å; V124-Q140 HydrophobicContact CG1-CB 3.59Å; V124-Q140 HydrophobicContact CG2-CB 3.78Å; V124-Q140 HydrophobicContact CG2-CG 4.26Å; E136-Q140 VanDerWaalsContact O-CB 3.3Å; E136-Q140 WeakPolarHBondContact O-CB 3.49Å; E136-Q140 VanDerWaalsContact O-CG 3.23Å; E136-Q140 WeakPolarHBondContact O-CG 3.3Å; E136-Q140 PolarHBondContact O-N 3.07Å; E136-Q140 VanDerWaalsContact O-N 3.11Å; E136-Q140 PolarHBondContact O-NE2 2.89Å; E136-Q140 WeakPolarHBondContact OE1-CG 3.48Å; H137-Q140 PolarHBondContact O-N 2.81Å; Q140-L142 VanDerWaalsContact C-N 3.28Å; Q140-L142 PolarHBondContact O-N 2.86Å; Q140-E143 PolarHBondContact O-N 3.23Å; Q140-W144 WeakPolarHBondContact O-CB 3.5Å; Q140-W144 PolarHBondContact O-N 3.12Å |
| 141 | W | 89.3 | Confident | 87.1 | Confident | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.011 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.8 | -41.2 | 176.3 | 164.7 | 73.4 | 0 | 0 | 0 | 111.2 | V126 W133 H137 V138 W144 A145 L167 L187 H190 | V126-W141 HydrophobicContact CG1-CB 4.26Å; W133-W141 HydrophobicContact CE3-CB 4.45Å; W133-W141 HydrophobicContact CH2-CB 3.85Å; W133-W141 AromaticContact CH2-CD1 3.55Å; W133-W141 AromaticContact CH2-CD2 3.72Å; W133-W141 HydrophobicContact CH2-CD2 3.72Å; W133-W141 AromaticContact CH2-CE2 4Å; W133-W141 HydrophobicContact CH2-CE3 4.45Å; W133-W141 AromaticContact CH2-CG 3.4Å; W133-W141 HydrophobicContact CH2-CG 3.4Å; W133-W141 VanDerWaalsContact CH2-CG 3.4Å; W133-W141 AromaticContact CH2-NE1 3.91Å; W133-W141 HydrophobicContact CZ2-CG 4.45Å; W133-W141 HydrophobicContact CZ3-CB 3.76Å; W133-W141 AromaticContact CZ3-CD2 3.49Å; W133-W141 HydrophobicContact CZ3-CD2 3.49Å; W133-W141 VanDerWaalsContact CZ3-CD2 3.49Å; W133-W141 AromaticContact CZ3-CE3 3.77Å; W133-W141 HydrophobicContact CZ3-CE3 3.77Å; W133-W141 AromaticContact CZ3-CG 3.49Å; W133-W141 HydrophobicContact CZ3-CG 3.49Å; W133-W141 VanDerWaalsContact CZ3-CG 3.49Å; H137-W141 WeakPolarHBondContact O-CB 3.47Å; H137-W141 PolarHBondContact O-N 3.04Å; V138-W141 PolarHBondContact O-N 3.41Å; W141-W144 AromaticContact CD1-CE3 3.88Å; W141-W144 PolarHBondContact O-N 3.37Å; W141-A145 WeakPolarHBondContact O-CB 3.33Å; W141-A145 PolarHBondContact O-N 2.92Å; W141-L167 HydrophobicContact CE3-CD2 4.04Å; W141-L167 HydrophobicContact CH2-CD2 4.37Å; W141-L167 HydrophobicContact CZ3-CD1 4.09Å; W141-L167 HydrophobicContact CZ3-CD2 3.76Å; W141-L187 HydrophobicContact CH2-CB 4.01Å; W141-L187 HydrophobicContact CH2-CD2 3.75Å; W141-L187 HydrophobicContact CH2-CG 4.41Å; W141-L187 HydrophobicContact CZ2-CB 4.39Å; W141-L187 HydrophobicContact CZ2-CD2 3.88Å; W141-L187 HydrophobicContact CZ3-CD2 4.34Å; W141-H190 AromaticContact NE1-CE1 3.72Å; W141-H190 AromaticContact NE1-CG 4Å; W141-H190 AromaticContact NE1-ND1 3.2Å; W141-H190 PolarHBondContact NE1-ND1 3.03Å; W141-H190 VanDerWaalsContact NE1-ND1 3.2Å |
| 142 | L | 89.6 | Confident | 86.9 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.9 | -44.9 | 177.1 | -168.1 | 68.1 | 0 | 0 | 0 | 111.9 | V138 R139 Q140 W144 A145 I146 I154 T156 F159 L187 | V138-L142 WeakPolarHBondContact O-CB 3.43Å; V138-L142 PolarHBondContact O-N 3.29Å; R139-L142 PolarHBondContact O-N 3.34Å; Q140-L142 VanDerWaalsContact C-N 3.28Å; Q140-L142 PolarHBondContact O-N 2.86Å; L142-W144 VanDerWaalsContact C-N 3.28Å; L142-W144 PolarHBondContact O-N 3.41Å; L142-A145 PolarHBondContact O-N 3.28Å; L142-I146 HydrophobicContact CG-CD1 4.07Å; L142-I146 WeakPolarHBondContact O-CB 3.24Å; L142-I146 WeakPolarHBondContact O-CD1 3.12Å; L142-I146 VanDerWaalsContact O-CG1 3.24Å; L142-I146 WeakPolarHBondContact O-CG1 3.38Å; L142-I146 PolarHBondContact O-N 2.84Å; L142-I154 HydrophobicContact CD1-CG2 4.16Å; L142-I154 HydrophobicContact CD2-CG2 4.06Å; L142-I154 HydrophobicContact CG-CG2 4.34Å; L142-T156 HydrophobicContact CD2-CG2 4.13Å; L142-F159 HydrophobicContact CD2-CB 3.75Å; L142-F159 HydrophobicContact CD2-CD2 3.44Å; L142-F159 VanDerWaalsContact CD2-CD2 3.44Å; L142-F159 HydrophobicContact CD2-CE2 4.18Å; L142-F159 HydrophobicContact CD2-CG 3.66Å; L142-L187 HydrophobicContact CD1-CD1 4.04Å; L142-L187 HydrophobicContact CD1-CD2 4.02Å |
| 143 | E | 86.9 | Confident | 86.8 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 45% | 0.449 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.5 | -38.9 | 173.4 | -74.7 | -176.5 | 142.1 | 0 | 0 | 112.5 | R139 Q140 K147 | R139-E143 IonicContact CZ-OE1 3.06Å; R139-E143 IonicContact CZ-OE2 3.3Å; R139-E143 IonicContact NH1-OE1 3.95Å; R139-E143 PolarHBondContact NH1-OE1 3.01Å; R139-E143 IonicContact NH1-OE2 3.33Å; R139-E143 PolarHBondContact NH1-OE2 3.35Å; R139-E143 VanDerWaalsContact NH1-OE2 3.12Å; R139-E143 IonicContact NH2-OE1 2.84Å; R139-E143 IonicContact NH2-OE2 2.82Å; R139-E143 PolarHBondContact NH2-OE2 3.3Å; R139-E143 PolarHBondContact O-N 3.21Å; Q140-E143 PolarHBondContact O-N 3.23Å; E143-K147 WeakPolarHBondContact O-CB 3.48Å; E143-K147 PolarHBondContact O-N 2.76Å |
| 144 | W | 88.1 | Confident | 86.6 | Confident | 65 Ų | 65 | 67.3 Ų | 67.3 | 25% | 0.246 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.7 | -49 | 174.5 | 168.6 | 72.4 | 0 | 0 | 0 | 111.8 | V124 Q140 W141 L142 I146 K147 E148 Y149 H190 | V124-W144 HydrophobicContact CB-CB 4.2Å; V124-W144 HydrophobicContact CG2-CB 4.12Å; Q140-W144 WeakPolarHBondContact O-CB 3.5Å; Q140-W144 PolarHBondContact O-N 3.12Å; W141-W144 AromaticContact CD1-CE3 3.88Å; W141-W144 PolarHBondContact O-N 3.37Å; L142-W144 VanDerWaalsContact C-N 3.28Å; L142-W144 PolarHBondContact O-N 3.41Å; W144-I146 VanDerWaalsContact C-N 3.34Å; W144-I146 PolarHBondContact O-N 3.38Å; W144-K147 PolarHBondContact O-N 2.83Å; W144-E148 HydrophobicContact CD2-CB 4.46Å; W144-E148 HydrophobicContact CZ2-CB 3.94Å; W144-E148 HydrophobicContact CZ2-CG 3.73Å; W144-E148 PolarHBondContact NE1-OE2 2.89Å; W144-E148 WeakPolarHBondContact O-CB 3.49Å; W144-E148 PolarHBondContact O-N 2.83Å; W144-Y149 AromaticContact CH2-CE2 3.86Å; W144-Y149 HydrophobicContact CH2-CE2 3.86Å; W144-Y149 HydrophobicContact CZ3-CE2 4.1Å; W144-H190 AromaticContact CH2-CD2 3.83Å; W144-H190 AromaticContact CH2-NE2 3.34Å; W144-H190 VanDerWaalsContact CH2-NE2 3.34Å; W144-H190 WeakPolarHBondContact CH2-NE2 3.35Å; W144-H190 AromaticContact CZ3-CD2 3.88Å; W144-H190 AromaticContact CZ3-CE1 3.65Å; W144-H190 AromaticContact CZ3-NE2 3.43Å; W144-H190 WeakPolarHBondContact CZ3-NE2 3.32Å |
| 145 | A | 87.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W141 L142 K147 Y149 L187 | W141-A145 WeakPolarHBondContact O-CB 3.33Å; W141-A145 PolarHBondContact O-N 2.92Å; L142-A145 PolarHBondContact O-N 3.28Å; A145-K147 VanDerWaalsContact C-N 3.29Å; A145-K147 PolarHBondContact O-N 3.24Å; A145-Y149 HydrophobicContact CB-CD2 4.28Å; A145-Y149 WeakPolarHBondContact O-CD2 3.4Å; A145-Y149 PolarHBondContact O-N 2.9Å; A145-Y149 VanDerWaalsContact O-N 3.08Å; A145-L187 HydrophobicContact CB-CD2 3.71Å |
| 146 | I | 88 | Confident | 86.3 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 26% | 0.256 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -53 | -48.3 | 169.9 | -76 | 163.6 | 0 | 0 | 0 | 110.7 | L142 W144 G150 L151 I154 T156 | L142-I146 HydrophobicContact CG-CD1 4.07Å; L142-I146 WeakPolarHBondContact O-CB 3.24Å; L142-I146 WeakPolarHBondContact O-CD1 3.12Å; L142-I146 VanDerWaalsContact O-CG1 3.24Å; L142-I146 WeakPolarHBondContact O-CG1 3.38Å; L142-I146 PolarHBondContact O-N 2.84Å; W144-I146 VanDerWaalsContact C-N 3.34Å; W144-I146 PolarHBondContact O-N 3.38Å; I146-G150 CarbonylContact O-C 3.48Å; I146-G150 VanDerWaalsContact O-CA 3.3Å; I146-G150 WeakPolarHBondContact O-CA 3.45Å; I146-G150 PolarHBondContact O-N 3.33Å; I146-G150 VanDerWaalsContact O-N 3.12Å; I146-L151 PolarHBondContact O-N 2.91Å; I146-I154 HydrophobicContact CD1-CB 4.4Å; I146-I154 HydrophobicContact CD1-CD1 4.31Å; I146-I154 HydrophobicContact CD1-CG2 4.27Å; I146-I154 HydrophobicContact CG1-CD1 3.63Å; I146-T156 HydrophobicContact CD1-CG2 3.95Å |
| 147 | K | 85.4 | Confident | 86.4 | Confident | 145 Ų | 145 | 65.1 Ų | 65.1 | 63% | 0.63 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -74.9 | -41.5 | -175.9 | -172.2 | -167.7 | 171.2 | -155.2 | 0 | 113.4 | E143 W144 A145 | E143-K147 WeakPolarHBondContact O-CB 3.48Å; E143-K147 PolarHBondContact O-N 2.76Å; W144-K147 PolarHBondContact O-N 2.83Å; A145-K147 VanDerWaalsContact C-N 3.29Å; A145-K147 PolarHBondContact O-N 3.24Å |
| 148 | E | 84.9 | Confident | 86.4 | Confident | 124 Ų | 124 | 66.8 Ų | 66.8 | 58% | 0.579 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -76.8 | -41.3 | -172.9 | -158.7 | 79.1 | -137.3 | 0 | 0 | 111.7 | W144 | W144-E148 HydrophobicContact CD2-CB 4.46Å; W144-E148 HydrophobicContact CZ2-CB 3.94Å; W144-E148 HydrophobicContact CZ2-CG 3.73Å; W144-E148 PolarHBondContact NE1-OE2 2.89Å; W144-E148 WeakPolarHBondContact O-CB 3.49Å; W144-E148 PolarHBondContact O-N 2.83Å |
| 149 | Y | 84.8 | Confident | 86.2 | Confident | 103 Ų | 103 | 66.9 Ų | 66.9 | 40% | 0.404 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -95.3 | -0.4 | 178.9 | -58 | -71.2 | 0 | 0 | 0 | 113.6 | W144 A145 L151 V186 H190 | W144-Y149 AromaticContact CH2-CE2 3.86Å; W144-Y149 HydrophobicContact CH2-CE2 3.86Å; W144-Y149 HydrophobicContact CZ3-CE2 4.1Å; A145-Y149 HydrophobicContact CB-CD2 4.28Å; A145-Y149 WeakPolarHBondContact O-CD2 3.4Å; A145-Y149 PolarHBondContact O-N 2.9Å; A145-Y149 VanDerWaalsContact O-N 3.08Å; Y149-L151 VanDerWaalsContact C-N 3.32Å; Y149-L151 PolarHBondContact O-N 3.33Å; Y149-V186 HydrophobicContact CD1-CG1 4.13Å; Y149-V186 HydrophobicContact CD2-CG1 3.71Å; Y149-V186 HydrophobicContact CE2-CG1 4.16Å; Y149-V186 HydrophobicContact CG-CG1 3.7Å; Y149-H190 PolarHBondContact OH-CD2 3.37Å |
| 150 | G | 85.2 | Confident | 86 | Confident | 49 Ų | 49 | 67.8 Ų | 67.8 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 29.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I146 M152 | I146-G150 CarbonylContact O-C 3.48Å; I146-G150 VanDerWaalsContact O-CA 3.3Å; I146-G150 WeakPolarHBondContact O-CA 3.45Å; I146-G150 PolarHBondContact O-N 3.33Å; I146-G150 VanDerWaalsContact O-N 3.12Å; G150-M152 PolarHBondContact O-N 3.42Å |
| 151 | L | 87.6 | Confident | 86.1 | Confident | 10 Ų | 10 | 71.3 Ų | 71.3 | 5% | 0.052 | 36% | 0.359 | C | S | . | . | trans | -71.6 | 122 | -173 | -47.3 | 179.1 | 0 | 0 | 0 | 110.5 | I146 Y149 I154 Y182 V186 L187 | I146-L151 PolarHBondContact O-N 2.91Å; Y149-L151 VanDerWaalsContact C-N 3.32Å; Y149-L151 PolarHBondContact O-N 3.33Å; L151-I154 HydrophobicContact CB-CD1 3.55Å; L151-I154 HydrophobicContact CD1-CD1 3.77Å; L151-I154 HydrophobicContact CG-CD1 4.31Å; L151-Y182 HydrophobicContact CD2-CE1 4.03Å; L151-V186 HydrophobicContact CD1-CG1 4.31Å; L151-V186 HydrophobicContact CD2-CB 4.44Å; L151-V186 HydrophobicContact CD2-CG1 4.31Å; L151-V186 HydrophobicContact CD2-CG2 4.42Å; L151-L187 HydrophobicContact CD1-CD2 4.11Å; L151-L187 HydrophobicContact CD1-CG 4.22Å | ||
| 152 | M | 81.9 | Confident | 86.1 | Confident | 140 Ų | 140 | 72.2 Ų | 72.2 | 69% | 0.69 | 36% | 0.363 | S | S | * | . | trans | -102.8 | 158.9 | 171.9 | 61.4 | -167.9 | 71.5 | 0 | 0 | 110.6 | G150 N183 | G150-M152 PolarHBondContact O-N 3.42Å; M152-N183 PolarHBondContact O-ND2 2.93Å | ||
| 153 | E | 80.3 | Confident | 86.1 | Confident | 156 Ų | 156 | 74.3 Ų | 74.3 | 73% | 0.729 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 60.9 | 54.6 | 176 | -52.4 | -175.5 | 153.8 | 0 | 0 | 114 | T179 T180 | E153-T179 PolarHBondContact O-OG1 3.01Å; E153-T180 HydrophobicContact CB-CG2 4.42Å |
| 154 | I | 86.3 | Confident | 86.1 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -109.2 | 127.1 | 167.2 | -74.7 | 162.5 | 0 | 0 | 0 | 108.9 | L142 I146 L151 T156 F159 T179 N183 L187 | L142-I154 HydrophobicContact CD1-CG2 4.16Å; L142-I154 HydrophobicContact CD2-CG2 4.06Å; L142-I154 HydrophobicContact CG-CG2 4.34Å; I146-I154 HydrophobicContact CD1-CB 4.4Å; I146-I154 HydrophobicContact CD1-CD1 4.31Å; I146-I154 HydrophobicContact CD1-CG2 4.27Å; I146-I154 HydrophobicContact CG1-CD1 3.63Å; L151-I154 HydrophobicContact CB-CD1 3.55Å; L151-I154 HydrophobicContact CD1-CD1 3.77Å; L151-I154 HydrophobicContact CG-CD1 4.31Å; I154-T156 HydrophobicContact CG2-CG2 4.26Å; I154-T156 PolarHBondContact O-N 2.92Å; I154-T156 VanDerWaalsContact O-N 3.16Å; I154-F159 HydrophobicContact CG2-CE2 4.28Å; I154-T179 HydrophobicContact CG1-CG2 4.34Å; I154-T179 WeakPolarHBondContact CG1-OG1 3.44Å; I154-N183 HydrophobicContact CD1-CB 4.39Å; I154-N183 HydrophobicContact CG1-CB 4.34Å; I154-L187 HydrophobicContact CD1-CD1 4.3Å |
| 155 | D | 85.5 | Confident | 86.2 | Confident | 72 Ų | 72 | 72 Ų | 72 | 39% | 0.385 | 37% | 0.365 | S | S | . | . | trans | -76.6 | 96.2 | 168.5 | -177.9 | 1.9 | 0 | 0 | 0 | 110.1 | S157 F158 F159 A178 | D155-S157 PolarHBondContact O-N 3.22Å; D155-S157 WeakPolarHBondContact OD1-CA 3.46Å; D155-S157 VanDerWaalsContact OD1-CB 3.24Å; D155-S157 WeakPolarHBondContact OD1-CB 3.25Å; D155-S157 PolarHBondContact OD1-N 3.28Å; D155-S157 PolarHBondContact OD1-OG 2.96Å; D155-S157 PolarHBondContact OD2-OG 3.38Å; D155-F158 HydrophobicContact CB-CB 4.49Å; D155-F158 WeakPolarHBondContact O-CB 3.36Å; D155-F158 PolarHBondContact O-N 3.12Å; D155-F158 PolarHBondContact OD1-N 2.96Å; D155-F159 VanDerWaalsContact O-CD2 3.28Å; D155-F159 WeakPolarHBondContact O-CD2 3.46Å; D155-A178 WeakPolarHBondContact CB-O 3.11Å; D155-A178 PolarHBondContact N-O 3.27Å | ||
| 156 | T | 85.1 | Confident | 86.2 | Confident | 80 Ų | 80 | 76.6 Ų | 76.6 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.6 | -18.2 | 176.9 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | L142 I146 I154 F158 F159 Q160 | L142-T156 HydrophobicContact CD2-CG2 4.13Å; I146-T156 HydrophobicContact CD1-CG2 3.95Å; I154-T156 HydrophobicContact CG2-CG2 4.26Å; I154-T156 PolarHBondContact O-N 2.92Å; I154-T156 VanDerWaalsContact O-N 3.16Å; T156-F158 VanDerWaalsContact C-N 3.32Å; T156-F159 PolarHBondContact O-N 2.92Å; T156-Q160 PolarHBondContact O-N 3.28Å |
| 157 | S | 86.1 | Confident | 86.3 | Confident | 61 Ų | 61 | 74.2 Ų | 74.2 | 43% | 0.427 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -72.4 | -28 | 178.6 | 81.7 | 0 | 0 | 0 | 0 | 112.2 | D155 F159 Q160 | D155-S157 PolarHBondContact O-N 3.22Å; D155-S157 WeakPolarHBondContact OD1-CA 3.46Å; D155-S157 VanDerWaalsContact OD1-CB 3.24Å; D155-S157 WeakPolarHBondContact OD1-CB 3.25Å; D155-S157 PolarHBondContact OD1-N 3.28Å; D155-S157 PolarHBondContact OD1-OG 2.96Å; D155-S157 PolarHBondContact OD2-OG 3.38Å; S157-F159 VanDerWaalsContact C-N 3.29Å; S157-F159 PolarHBondContact O-N 3.1Å; S157-Q160 VanDerWaalsContact O-CG 3.25Å; S157-Q160 WeakPolarHBondContact O-CG 3.24Å; S157-Q160 PolarHBondContact O-NE2 2.92Å |
| 158 | F | 87.4 | Confident | 86.5 | Confident | 85 Ų | 85 | 68.3 Ų | 68.3 | 37% | 0.373 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.8 | -36.7 | 173 | -168.7 | -83.8 | 0 | 0 | 0 | 112.2 | D155 T156 M162 M170 R177 A178 | D155-F158 HydrophobicContact CB-CB 4.49Å; D155-F158 WeakPolarHBondContact O-CB 3.36Å; D155-F158 PolarHBondContact O-N 3.12Å; D155-F158 PolarHBondContact OD1-N 2.96Å; T156-F158 VanDerWaalsContact C-N 3.32Å; F158-M162 HydrophobicContact CD1-CE 4.21Å; F158-M162 HydrophobicContact CE1-CE 4.18Å; F158-M170 HydrophobicContact CD1-CE 4.49Å; F158-M170 HydrophobicContact CE1-CE 3.73Å; F158-M170 HydrophobicContact CE1-SD 4.42Å; F158-R177 HydrophobicContact CE2-CB 4.5Å; F158-A178 HydrophobicContact CB-CB 3.85Å; F158-A178 HydrophobicContact CD1-CB 3.64Å; F158-A178 HydrophobicContact CD2-CB 4.01Å; F158-A178 HydrophobicContact CE1-CB 4.18Å; F158-A178 HydrophobicContact CE2-CB 4.49Å; F158-A178 HydrophobicContact CG-CB 3.55Å |
| 159 | F | 86.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 0% | 0.004 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -92.2 | -12.3 | -175.1 | -60.6 | -87 | 0 | 0 | 0 | 114.4 | V138 L142 I154 D155 T156 S157 N161 M162 L167 M170 F175 A178 | V138-F159 HydrophobicContact CG1-CB 4.46Å; L142-F159 HydrophobicContact CD2-CB 3.75Å; L142-F159 HydrophobicContact CD2-CD2 3.44Å; L142-F159 VanDerWaalsContact CD2-CD2 3.44Å; L142-F159 HydrophobicContact CD2-CE2 4.18Å; L142-F159 HydrophobicContact CD2-CG 3.66Å; I154-F159 HydrophobicContact CG2-CE2 4.28Å; D155-F159 VanDerWaalsContact O-CD2 3.28Å; D155-F159 WeakPolarHBondContact O-CD2 3.46Å; T156-F159 PolarHBondContact O-N 2.92Å; S157-F159 VanDerWaalsContact C-N 3.29Å; S157-F159 PolarHBondContact O-N 3.1Å; F159-N161 VanDerWaalsContact C-N 3.27Å; F159-N161 PolarHBondContact O-N 3.17Å; F159-N161 VanDerWaalsContact O-N 3.1Å; F159-M162 HydrophobicContact CB-CE 4.49Å; F159-M162 HydrophobicContact CD1-CE 3.42Å; F159-M162 VanDerWaalsContact CD1-CE 3.42Å; F159-M162 HydrophobicContact CE1-CE 3.93Å; F159-M162 HydrophobicContact CG-CE 4.23Å; F159-M162 PolarHBondContact O-N 3.3Å; F159-L167 HydrophobicContact CD1-CD1 4.08Å; F159-L167 HydrophobicContact CE1-CD1 4.09Å; F159-M170 HydrophobicContact CE1-CE 3.98Å; F159-M170 HydrophobicContact CE1-SD 4.07Å; F159-M170 HydrophobicContact CZ-CE 4.36Å; F159-F175 HydrophobicContact CE1-CD1 4.1Å; F159-F175 AromaticContact CE1-CE1 3.72Å; F159-F175 HydrophobicContact CE1-CE1 3.72Å; F159-F175 AromaticContact CZ-CD1 3.96Å; F159-F175 HydrophobicContact CZ-CD1 3.96Å; F159-F175 HydrophobicContact CZ-CE1 4.01Å; F159-A178 HydrophobicContact CE2-CB 3.58Å; F159-A178 HydrophobicContact CZ-CB 3.74Å |
| 160 | Q | 84.8 | Confident | 86.7 | Confident | 103 Ų | 103 | 66.1 Ų | 66.1 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.9 | -164.5 | 75.2 | -167.1 | -36.4 | 0 | 0 | 115.8 | T156 S157 | T156-Q160 PolarHBondContact O-N 3.28Å; S157-Q160 VanDerWaalsContact O-CG 3.25Å; S157-Q160 WeakPolarHBondContact O-CG 3.24Å; S157-Q160 PolarHBondContact O-NE2 2.92Å |
| 161 | N | 86.8 | Confident | 86.8 | Confident | 123 Ų | 123 | 67.4 Ų | 67.4 | 66% | 0.658 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.1 | 3.5 | -176 | -70.7 | -23.1 | 0 | 0 | 0 | 113.4 | F159 | F159-N161 VanDerWaalsContact C-N 3.27Å; F159-N161 PolarHBondContact O-N 3.17Å; F159-N161 VanDerWaalsContact O-N 3.1Å |
| 162 | M | 89.2 | Confident | 86.9 | Confident | 22 Ų | 22 | 71 Ų | 71 | 11% | 0.108 | 35% | 0.352 | C | S | . | . | trans | -90.9 | 136.1 | -168.1 | -172.9 | 156.9 | 43.7 | 0 | 0 | 111.8 | Q135 V138 F158 F159 E166 L167 M170 | Q135-M162 WeakPolarHBondContact CA-O 3.26Å; V138-M162 WeakPolarHBondContact CG2-O 3.31Å; F158-M162 HydrophobicContact CD1-CE 4.21Å; F158-M162 HydrophobicContact CE1-CE 4.18Å; F159-M162 HydrophobicContact CB-CE 4.49Å; F159-M162 HydrophobicContact CD1-CE 3.42Å; F159-M162 VanDerWaalsContact CD1-CE 3.42Å; F159-M162 HydrophobicContact CE1-CE 3.93Å; F159-M162 HydrophobicContact CG-CE 4.23Å; F159-M162 PolarHBondContact O-N 3.3Å; M162-E166 HydrophobicContact CG-CB 3.45Å; M162-E166 VanDerWaalsContact CG-CB 3.45Å; M162-E166 HydrophobicContact SD-CB 3.97Å; M162-L167 HydrophobicContact CE-CD1 4.24Å; M162-M170 HydrophobicContact CE-CE 4.43Å; M162-M170 HydrophobicContact CE-SD 3.36Å; M162-M170 WeakPolarHBondContact CE-SD 3.43Å; M162-M170 HydrophobicContact SD-CG 4.23Å; M162-M170 HydrophobicContact SD-SD 3.75Å | ||
| 163 | D | 89.1 | Confident | 87.2 | Confident | 49 Ų | 49 | 70.1 Ų | 70.1 | 26% | 0.262 | 35% | 0.347 | S | S | . | . | trans | -86.6 | 169.9 | 176.4 | 103.5 | -17.8 | 0 | 0 | 0 | 113 | K165 E166 L167 | D163-K165 PolarHBondContact O-N 2.92Å; D163-K165 VanDerWaalsContact OD1-CA 3.31Å; D163-K165 WeakPolarHBondContact OD1-CA 3.44Å; D163-K165 VanDerWaalsContact OD1-CB 3.26Å; D163-K165 WeakPolarHBondContact OD1-CB 3.34Å; D163-K165 PolarHBondContact OD1-N 2.87Å; D163-E166 PolarHBondContact N-OE2 3.15Å; D163-E166 PolarHBondContact O-N 3.27Å; D163-E166 PolarHBondContact OD1-N 2.76Å; D163-L167 WeakPolarHBondContact O-CB 3.43Å; D163-L167 PolarHBondContact O-N 2.69Å | ||
| 164 | G | 88.6 | Confident | 87.7 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62 | -27.4 | 180 | 0 | 0 | 0 | 0 | 0 | 115.4 | P130 W133 C168 | P130-G164 CarbonylContact O-C 3.59Å; P130-G164 WeakPolarHBondContact O-CA 3.4Å; W133-G164 PolarHBondContact O-N 3.39Å; G164-C168 VanDerWaalsContact O-CB 3.29Å; G164-C168 WeakPolarHBondContact O-CB 3.41Å; G164-C168 PolarHBondContact O-N 2.82Å; G164-C168 PolarHBondContact O-SG 3.45Å |
| 165 | K | 88.6 | Confident | 87.8 | Confident | 113 Ų | 113 | 63.2 Ų | 63.2 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -82.4 | -31.5 | -179.5 | -56.7 | 164.9 | -173.3 | 153.6 | 0 | 110.8 | T131 D163 K169 | T131-K165 VanDerWaalsContact O-CE 3.25Å; T131-K165 WeakPolarHBondContact O-CE 3.28Å; T131-K165 VanDerWaalsContact O-CG 3.24Å; T131-K165 WeakPolarHBondContact O-CG 3.31Å; D163-K165 PolarHBondContact O-N 2.92Å; D163-K165 VanDerWaalsContact OD1-CA 3.31Å; D163-K165 WeakPolarHBondContact OD1-CA 3.44Å; D163-K165 VanDerWaalsContact OD1-CB 3.26Å; D163-K165 WeakPolarHBondContact OD1-CB 3.34Å; D163-K165 PolarHBondContact OD1-N 2.87Å; K165-K169 VanDerWaalsContact O-CD 3.27Å; K165-K169 WeakPolarHBondContact O-CD 3.38Å; K165-K169 WeakPolarHBondContact O-CE 3.43Å; K165-K169 WeakPolarHBondContact O-CG 3.47Å; K165-K169 PolarHBondContact O-N 2.87Å |
| 166 | E | 89.4 | Confident | 88 | Confident | 96 Ų | 96 | 63.4 Ų | 63.4 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.3 | -47.8 | 169.5 | -67.9 | 177 | 141.2 | 0 | 0 | 110.7 | M162 D163 C168 K169 M170 | M162-E166 HydrophobicContact CG-CB 3.45Å; M162-E166 VanDerWaalsContact CG-CB 3.45Å; M162-E166 HydrophobicContact SD-CB 3.97Å; D163-E166 PolarHBondContact N-OE2 3.15Å; D163-E166 PolarHBondContact O-N 3.27Å; D163-E166 PolarHBondContact OD1-N 2.76Å; E166-C168 VanDerWaalsContact C-N 3.26Å; E166-C168 PolarHBondContact O-N 2.58Å; E166-K169 WeakPolarHBondContact O-CB 3.41Å; E166-K169 PolarHBondContact O-N 3.22Å; E166-M170 PolarHBondContact O-N 2.77Å; E166-M170 VanDerWaalsContact O-N 3.15Å |
| 167 | L | 89.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.5 | -40.5 | 172.7 | -171.8 | 74.6 | 0 | 0 | 0 | 111.9 | W133 V138 W141 F159 M162 D163 K169 M170 F175 L191 | W133-L167 HydrophobicContact CE3-CD2 3.75Å; W133-L167 HydrophobicContact CZ3-CD2 3.66Å; V138-L167 HydrophobicContact CG1-CD1 4.38Å; V138-L167 HydrophobicContact CG1-CD2 4.25Å; V138-L167 HydrophobicContact CG2-CD2 4.17Å; W141-L167 HydrophobicContact CE3-CD2 4.04Å; W141-L167 HydrophobicContact CH2-CD2 4.37Å; W141-L167 HydrophobicContact CZ3-CD1 4.09Å; W141-L167 HydrophobicContact CZ3-CD2 3.76Å; F159-L167 HydrophobicContact CD1-CD1 4.08Å; F159-L167 HydrophobicContact CE1-CD1 4.09Å; M162-L167 HydrophobicContact CE-CD1 4.24Å; D163-L167 WeakPolarHBondContact O-CB 3.43Å; D163-L167 PolarHBondContact O-N 2.69Å; L167-K169 VanDerWaalsContact C-N 3.28Å; L167-K169 PolarHBondContact O-N 3.08Å; L167-M170 HydrophobicContact CD1-SD 3.96Å; L167-M170 PolarHBondContact O-N 3.35Å; L167-F175 HydrophobicContact CD1-CE1 4.2Å; L167-F175 HydrophobicContact CD1-CZ 3.74Å; L167-F175 HydrophobicContact CG-CZ 4.47Å; L167-L191 HydrophobicContact CD2-CD1 3.91Å; L167-L191 HydrophobicContact CD2-CD2 4.47Å; L167-L191 HydrophobicContact CG-CD1 4.39Å; L167-L191 HydrophobicContact CG-CD2 4.1Å |
| 168 | C | 88.9 | Confident | 88.2 | Confident | 22 Ų | 22 | 64 Ų | 64 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -13.2 | 175.7 | -74.5 | 0 | 0 | 0 | 0 | 115.4 | T131 G164 E166 | T131-C168 HydrophobicContact CG2-CB 4.24Å; G164-C168 VanDerWaalsContact O-CB 3.29Å; G164-C168 WeakPolarHBondContact O-CB 3.41Å; G164-C168 PolarHBondContact O-N 2.82Å; G164-C168 PolarHBondContact O-SG 3.45Å; E166-C168 VanDerWaalsContact C-N 3.26Å; E166-C168 PolarHBondContact O-N 2.58Å |
| 169 | K | 87.5 | Confident | 88.2 | Confident | 161 Ų | 161 | 60.5 Ų | 60.5 | 70% | 0.7 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -21.5 | 175.6 | -72.5 | 162.4 | -168.5 | 167.8 | 0 | 112.8 | K165 E166 L167 N171 | K165-K169 VanDerWaalsContact O-CD 3.27Å; K165-K169 WeakPolarHBondContact O-CD 3.38Å; K165-K169 WeakPolarHBondContact O-CE 3.43Å; K165-K169 WeakPolarHBondContact O-CG 3.47Å; K165-K169 PolarHBondContact O-N 2.87Å; E166-K169 WeakPolarHBondContact O-CB 3.41Å; E166-K169 PolarHBondContact O-N 3.22Å; L167-K169 VanDerWaalsContact C-N 3.28Å; L167-K169 PolarHBondContact O-N 3.08Å; K169-N171 PolarHBondContact O-N 3.34Å |
| 170 | M | 87.1 | Confident | 88.4 | Confident | 20 Ų | 20 | 63 Ų | 63 | 10% | 0.099 | 30% | 0.302 | C | S | . | . | trans | -54.1 | 131.6 | 175.9 | -73.6 | -180 | 72.3 | 0 | 0 | 110.8 | F158 F159 M162 E166 L167 D174 F175 | F158-M170 HydrophobicContact CD1-CE 4.49Å; F158-M170 HydrophobicContact CE1-CE 3.73Å; F158-M170 HydrophobicContact CE1-SD 4.42Å; F159-M170 HydrophobicContact CE1-CE 3.98Å; F159-M170 HydrophobicContact CE1-SD 4.07Å; F159-M170 HydrophobicContact CZ-CE 4.36Å; M162-M170 HydrophobicContact CE-CE 4.43Å; M162-M170 HydrophobicContact CE-SD 3.36Å; M162-M170 WeakPolarHBondContact CE-SD 3.43Å; M162-M170 HydrophobicContact SD-CG 4.23Å; M162-M170 HydrophobicContact SD-SD 3.75Å; E166-M170 PolarHBondContact O-N 2.77Å; E166-M170 VanDerWaalsContact O-N 3.15Å; L167-M170 HydrophobicContact CD1-SD 3.96Å; L167-M170 PolarHBondContact O-N 3.35Å; M170-D174 WeakPolarHBondContact CA-OD2 3.29Å; M170-D174 HydrophobicContact CB-CB 3.91Å; M170-D174 VanDerWaalsContact CE-C 3.48Å; M170-D174 HydrophobicContact CE-CB 3.68Å; M170-D174 HydrophobicContact CG-CB 3.96Å; M170-F175 HydrophobicContact CB-CD2 3.88Å; M170-F175 HydrophobicContact CB-CE2 3.55Å; M170-F175 HydrophobicContact CB-CZ 4.4Å; M170-F175 HydrophobicContact CE-CB 4.32Å; M170-F175 HydrophobicContact CE-CD1 3.91Å; M170-F175 HydrophobicContact CE-CD2 3.71Å; M170-F175 HydrophobicContact CE-CE1 4.11Å; M170-F175 HydrophobicContact CE-CE2 3.92Å; M170-F175 HydrophobicContact CE-CG 3.71Å; M170-F175 HydrophobicContact CE-CZ 4.11Å; M170-F175 HydrophobicContact CG-CE2 4.38Å; M170-F175 HydrophobicContact SD-CD2 4.35Å; M170-F175 HydrophobicContact SD-CE1 4.37Å; M170-F175 HydrophobicContact SD-CE2 3.95Å; M170-F175 HydrophobicContact SD-CZ 3.96Å | ||
| 171 | N | 86.6 | Confident | 88.6 | Confident | 76 Ų | 76 | 62.6 Ų | 62.6 | 41% | 0.406 | 30% | 0.303 | S | S | . | . | trans | -93.7 | 178.5 | 169.3 | 67.7 | 60.5 | 0 | 0 | 0 | 110.7 | K169 E173 D174 F175 | K169-N171 PolarHBondContact O-N 3.34Å; N171-E173 PolarHBondContact O-N 3.43Å; N171-E173 WeakPolarHBondContact OD1-CA 3.47Å; N171-E173 WeakPolarHBondContact OD1-CB 3.27Å; N171-E173 PolarHBondContact OD1-N 2.92Å; N171-D174 PolarHBondContact N-OD2 2.92Å; N171-D174 PolarHBondContact ND2-OD2 3.32Å; N171-D174 WeakPolarHBondContact O-CB 3.37Å; N171-D174 PolarHBondContact O-N 3.2Å; N171-D174 VanDerWaalsContact O-N 3.09Å; N171-D174 PolarHBondContact OD1-N 3.5Å; N171-D174 PolarHBondContact OD1-OD2 3.44Å; N171-F175 PolarHBondContact O-N 2.77Å | ||
| 172 | K | 89.1 | Confident | 88.6 | Confident | 84 Ų | 84 | 64.1 Ų | 64.1 | 37% | 0.365 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.2 | -31.2 | -179.6 | -179.9 | 163 | 176.6 | 159.4 | 0 | 113.4 | L176 T184 E185 L188 | K172-L176 HydrophobicContact CG-CD1 4.14Å; K172-L176 WeakPolarHBondContact O-CB 3.48Å; K172-L176 WeakPolarHBondContact O-CD1 3.2Å; K172-L176 VanDerWaalsContact O-CG 3.27Å; K172-L176 WeakPolarHBondContact O-CG 3.48Å; K172-L176 PolarHBondContact O-N 3.43Å; K172-T184 HydrophobicContact CG-CG2 3.93Å; K172-E185 WeakPolarHBondContact CE-OE1 3.08Å; K172-E185 IonicContact NZ-OE1 3.78Å; K172-E185 PolarHBondContact NZ-OE1 3.07Å; K172-E185 IonicContact NZ-OE2 3.5Å; K172-E185 PolarHBondContact NZ-OE2 3.34Å; K172-L188 HydrophobicContact CB-CD2 4.34Å |
| 173 | E | 89.5 | Confident | 88.7 | Confident | 123 Ų | 123 | 63.2 Ų | 63.2 | 58% | 0.575 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -74.1 | -31.2 | 176.1 | -50.9 | -176.7 | 178.8 | 0 | 0 | 112.7 | N171 L176 R177 | N171-E173 PolarHBondContact O-N 3.43Å; N171-E173 WeakPolarHBondContact OD1-CA 3.47Å; N171-E173 WeakPolarHBondContact OD1-CB 3.27Å; N171-E173 PolarHBondContact OD1-N 2.92Å; E173-L176 PolarHBondContact O-N 3.45Å; E173-R177 WeakPolarHBondContact O-CG 3.35Å; E173-R177 PolarHBondContact O-N 3.24Å; E173-R177 VanDerWaalsContact O-N 3.1Å |
| 174 | D | 89.3 | Confident | 88.7 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 20% | 0.198 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -42.9 | 175.3 | -60.9 | -50.4 | 0 | 0 | 0 | 111.1 | M170 N171 R177 | M170-D174 WeakPolarHBondContact CA-OD2 3.29Å; M170-D174 HydrophobicContact CB-CB 3.91Å; M170-D174 VanDerWaalsContact CE-C 3.48Å; M170-D174 HydrophobicContact CE-CB 3.68Å; M170-D174 HydrophobicContact CG-CB 3.96Å; N171-D174 PolarHBondContact N-OD2 2.92Å; N171-D174 PolarHBondContact ND2-OD2 3.32Å; N171-D174 WeakPolarHBondContact O-CB 3.37Å; N171-D174 PolarHBondContact O-N 3.2Å; N171-D174 VanDerWaalsContact O-N 3.09Å; N171-D174 PolarHBondContact OD1-N 3.5Å; N171-D174 PolarHBondContact OD1-OD2 3.44Å; D174-R177 WeakPolarHBondContact O-CB 3.43Å; D174-R177 PolarHBondContact O-N 2.9Å; D174-R177 IonicContact OD1-CZ 3.12Å; D174-R177 IonicContact OD1-NE 2.84Å; D174-R177 IonicContact OD1-NH2 3.42Å; D174-R177 PolarHBondContact OD1-NH2 3.38Å |
| 175 | F | 89.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 172.8 | -81.9 | -82.7 | 0 | 0 | 0 | 112 | F159 L167 M170 N171 R177 A178 T179 T184 L187 L188 L191 | F159-F175 HydrophobicContact CE1-CD1 4.1Å; F159-F175 AromaticContact CE1-CE1 3.72Å; F159-F175 HydrophobicContact CE1-CE1 3.72Å; F159-F175 AromaticContact CZ-CD1 3.96Å; F159-F175 HydrophobicContact CZ-CD1 3.96Å; F159-F175 HydrophobicContact CZ-CE1 4.01Å; L167-F175 HydrophobicContact CD1-CE1 4.2Å; L167-F175 HydrophobicContact CD1-CZ 3.74Å; L167-F175 HydrophobicContact CG-CZ 4.47Å; M170-F175 HydrophobicContact CB-CD2 3.88Å; M170-F175 HydrophobicContact CB-CE2 3.55Å; M170-F175 HydrophobicContact CB-CZ 4.4Å; M170-F175 HydrophobicContact CE-CB 4.32Å; M170-F175 HydrophobicContact CE-CD1 3.91Å; M170-F175 HydrophobicContact CE-CD2 3.71Å; M170-F175 HydrophobicContact CE-CE1 4.11Å; M170-F175 HydrophobicContact CE-CE2 3.92Å; M170-F175 HydrophobicContact CE-CG 3.71Å; M170-F175 HydrophobicContact CE-CZ 4.11Å; M170-F175 HydrophobicContact CG-CE2 4.38Å; M170-F175 HydrophobicContact SD-CD2 4.35Å; M170-F175 HydrophobicContact SD-CE1 4.37Å; M170-F175 HydrophobicContact SD-CE2 3.95Å; M170-F175 HydrophobicContact SD-CZ 3.96Å; N171-F175 PolarHBondContact O-N 2.77Å; F175-R177 PolarHBondContact O-N 3.25Å; F175-A178 PolarHBondContact O-N 3.05Å; F175-T179 PolarHBondContact O-N 3.08Å; F175-T184 HydrophobicContact CB-CG2 3.54Å; F175-T184 HydrophobicContact CG-CG2 4.49Å; F175-L187 HydrophobicContact CD1-CB 4.34Å; F175-L187 HydrophobicContact CD1-CD1 4.29Å; F175-L187 HydrophobicContact CE1-CB 4.11Å; F175-L187 HydrophobicContact CE1-CD1 4.35Å; F175-L188 HydrophobicContact CD2-CD1 4.41Å; F175-L188 HydrophobicContact CE2-CD1 4.13Å; F175-L191 HydrophobicContact CZ-CD2 4.4Å |
| 176 | L | 90.8 | Very high | 88.8 | Confident | 75 Ų | 75 | 61.1 Ų | 61.1 | 39% | 0.393 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.2 | -20 | 174.5 | -82 | 167.7 | 0 | 0 | 0 | 114.3 | K172 E173 T179 L181 T184 | K172-L176 HydrophobicContact CG-CD1 4.14Å; K172-L176 WeakPolarHBondContact O-CB 3.48Å; K172-L176 WeakPolarHBondContact O-CD1 3.2Å; K172-L176 VanDerWaalsContact O-CG 3.27Å; K172-L176 WeakPolarHBondContact O-CG 3.48Å; K172-L176 PolarHBondContact O-N 3.43Å; E173-L176 PolarHBondContact O-N 3.45Å; L176-T179 WeakPolarHBondContact CA-O 3.45Å; L176-L181 HydrophobicContact CD1-CD1 4.36Å; L176-L181 HydrophobicContact CD2-CB 3.84Å; L176-L181 HydrophobicContact CD2-CD1 4.02Å; L176-T184 HydrophobicContact CG-CG2 4.34Å; L176-T184 PolarHBondContact N-OG1 2.8Å |
| 177 | R | 87.9 | Confident | 88.9 | Confident | 147 Ų | 147 | 56.6 Ų | 56.6 | 56% | 0.555 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -76.5 | -23.6 | 170.9 | -77.8 | 180 | -89.7 | -84.2 | 6.7 | 112.9 | F158 E173 D174 F175 | F158-R177 HydrophobicContact CE2-CB 4.5Å; E173-R177 WeakPolarHBondContact O-CG 3.35Å; E173-R177 PolarHBondContact O-N 3.24Å; E173-R177 VanDerWaalsContact O-N 3.1Å; D174-R177 WeakPolarHBondContact O-CB 3.43Å; D174-R177 PolarHBondContact O-N 2.9Å; D174-R177 IonicContact OD1-CZ 3.12Å; D174-R177 IonicContact OD1-NE 2.84Å; D174-R177 IonicContact OD1-NH2 3.42Å; D174-R177 PolarHBondContact OD1-NH2 3.38Å; F175-R177 PolarHBondContact O-N 3.25Å |
| 178 | A | 85.6 | Confident | 88.9 | Confident | 6 Ų | 6 | 59 Ų | 59 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -106 | -18 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D155 F158 F159 F175 | D155-A178 WeakPolarHBondContact CB-O 3.11Å; D155-A178 PolarHBondContact N-O 3.27Å; F158-A178 HydrophobicContact CB-CB 3.85Å; F158-A178 HydrophobicContact CD1-CB 3.64Å; F158-A178 HydrophobicContact CD2-CB 4.01Å; F158-A178 HydrophobicContact CE1-CB 4.18Å; F158-A178 HydrophobicContact CE2-CB 4.49Å; F158-A178 HydrophobicContact CG-CB 3.55Å; F159-A178 HydrophobicContact CE2-CB 3.58Å; F159-A178 HydrophobicContact CZ-CB 3.74Å; F175-A178 PolarHBondContact O-N 3.05Å |
| 179 | T | 89.3 | Confident | 88.9 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -162.6 | 172.1 | -179.5 | -165.3 | 0 | 0 | 0 | 0 | 113.6 | E153 I154 F175 L176 N183 L187 | E153-T179 PolarHBondContact O-OG1 3.01Å; I154-T179 HydrophobicContact CG1-CG2 4.34Å; I154-T179 WeakPolarHBondContact CG1-OG1 3.44Å; F175-T179 PolarHBondContact O-N 3.08Å; L176-T179 WeakPolarHBondContact CA-O 3.45Å; T179-N183 HydrophobicContact CG2-CB 3.67Å; T179-N183 VanDerWaalsContact OG1-CB 3.31Å; T179-N183 WeakPolarHBondContact OG1-CB 3.27Å; T179-N183 PolarHBondContact OG1-ND2 3.48Å; T179-L187 HydrophobicContact CG2-CD1 4.28Å |
| 180 | T | 90 | Very high | 88.9 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | trans | -59.7 | 160.8 | 179.1 | 73.8 | 0 | 0 | 0 | 0 | 113.1 | E153 Y182 N183 T184 | E153-T180 HydrophobicContact CB-CG2 4.42Å; T180-Y182 VanDerWaalsContact C-N 3.29Å; T180-Y182 PolarHBondContact O-N 3.22Å; T180-N183 PolarHBondContact O-N 3.46Å; T180-N183 VanDerWaalsContact OG1-CG 3.24Å; T180-N183 PolarHBondContact OG1-N 3.38Å; T180-N183 PolarHBondContact OG1-ND2 3.09Å; T180-T184 WeakPolarHBondContact O-CB 3.17Å; T180-T184 PolarHBondContact O-N 3.25Å; T180-T184 PolarHBondContact O-OG1 3.08Å | ||
| 181 | L | 87.4 | Confident | 89 | Confident | 95 Ų | 95 | 54.5 Ų | 54.5 | 50% | 0.497 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.8 | -39.7 | 175.5 | 179.3 | 63.2 | 0 | 0 | 0 | 112.6 | L176 T184 E185 | L176-L181 HydrophobicContact CD1-CD1 4.36Å; L176-L181 HydrophobicContact CD2-CB 3.84Å; L176-L181 HydrophobicContact CD2-CD1 4.02Å; L181-T184 WeakPolarHBondContact O-CB 3.49Å; L181-T184 PolarHBondContact O-N 3.38Å; L181-E185 WeakPolarHBondContact O-CG 3.01Å; L181-E185 PolarHBondContact O-N 3.43Å; L181-E185 VanDerWaalsContact O-N 3.11Å |
| 182 | Y | 88.4 | Confident | 88.9 | Confident | 155 Ų | 155 | 53.9 Ų | 53.9 | 61% | 0.608 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.8 | -51.1 | 178.9 | 174.1 | -105.3 | 0 | 0 | 0 | 111.4 | L151 T180 T184 E185 V186 | L151-Y182 HydrophobicContact CD2-CE1 4.03Å; T180-Y182 VanDerWaalsContact C-N 3.29Å; T180-Y182 PolarHBondContact O-N 3.22Å; Y182-T184 VanDerWaalsContact C-N 3.27Å; Y182-T184 PolarHBondContact O-N 2.79Å; Y182-E185 PolarHBondContact O-N 3.08Å; Y182-V186 HydrophobicContact CE1-CG2 4.35Å; Y182-V186 HydrophobicContact CE2-CG2 4.36Å; Y182-V186 WeakPolarHBondContact O-CG2 3.47Å; Y182-V186 PolarHBondContact O-N 2.99Å |
| 183 | N | 89.8 | Confident | 88.7 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 178.1 | -61.3 | -13.8 | 0 | 0 | 0 | 111.4 | M152 I154 T179 T180 V186 L187 | M152-N183 PolarHBondContact O-ND2 2.93Å; I154-N183 HydrophobicContact CD1-CB 4.39Å; I154-N183 HydrophobicContact CG1-CB 4.34Å; T179-N183 HydrophobicContact CG2-CB 3.67Å; T179-N183 VanDerWaalsContact OG1-CB 3.31Å; T179-N183 WeakPolarHBondContact OG1-CB 3.27Å; T179-N183 PolarHBondContact OG1-ND2 3.48Å; T180-N183 PolarHBondContact O-N 3.46Å; T180-N183 VanDerWaalsContact OG1-CG 3.24Å; T180-N183 PolarHBondContact OG1-N 3.38Å; T180-N183 PolarHBondContact OG1-ND2 3.09Å; N183-V186 PolarHBondContact O-N 2.86Å; N183-L187 WeakPolarHBondContact O-CB 3.18Å; N183-L187 VanDerWaalsContact O-CG 3.28Å; N183-L187 WeakPolarHBondContact O-CG 3.38Å; N183-L187 PolarHBondContact O-N 3.02Å |
| 184 | T | 90.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.9 | -48.9 | 175.2 | -65.7 | 0 | 0 | 0 | 0 | 111.8 | K172 F175 L176 T180 L181 Y182 V186 L188 | K172-T184 HydrophobicContact CG-CG2 3.93Å; F175-T184 HydrophobicContact CB-CG2 3.54Å; F175-T184 HydrophobicContact CG-CG2 4.49Å; L176-T184 HydrophobicContact CG-CG2 4.34Å; L176-T184 PolarHBondContact N-OG1 2.8Å; T180-T184 WeakPolarHBondContact O-CB 3.17Å; T180-T184 PolarHBondContact O-N 3.25Å; T180-T184 PolarHBondContact O-OG1 3.08Å; L181-T184 WeakPolarHBondContact O-CB 3.49Å; L181-T184 PolarHBondContact O-N 3.38Å; Y182-T184 VanDerWaalsContact C-N 3.27Å; Y182-T184 PolarHBondContact O-N 2.79Å; T184-V186 VanDerWaalsContact C-N 3.35Å; T184-V186 PolarHBondContact O-N 3.19Å; T184-L188 WeakPolarHBondContact O-CB 3.49Å; T184-L188 PolarHBondContact O-N 3.24Å |
| 185 | E | 88.7 | Confident | 88 | Confident | 89 Ų | 89 | 56.3 Ų | 56.3 | 42% | 0.416 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 178.7 | -61.6 | -61.3 | 83.8 | 0 | 0 | 111.6 | K172 L181 Y182 S189 | K172-E185 WeakPolarHBondContact CE-OE1 3.08Å; K172-E185 IonicContact NZ-OE1 3.78Å; K172-E185 PolarHBondContact NZ-OE1 3.07Å; K172-E185 IonicContact NZ-OE2 3.5Å; K172-E185 PolarHBondContact NZ-OE2 3.34Å; L181-E185 WeakPolarHBondContact O-CG 3.01Å; L181-E185 PolarHBondContact O-N 3.43Å; L181-E185 VanDerWaalsContact O-N 3.11Å; Y182-E185 PolarHBondContact O-N 3.08Å; E185-S189 WeakPolarHBondContact O-CB 3.36Å; E185-S189 PolarHBondContact O-N 3.38Å |
| 186 | V | 91 | Very high | 87.1 | Confident | 28 Ų | 28 | 62.3 Ų | 62.3 | 17% | 0.17 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -51 | 178.4 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | Y149 L151 Y182 N183 T184 S189 H190 | Y149-V186 HydrophobicContact CD1-CG1 4.13Å; Y149-V186 HydrophobicContact CD2-CG1 3.71Å; Y149-V186 HydrophobicContact CE2-CG1 4.16Å; Y149-V186 HydrophobicContact CG-CG1 3.7Å; L151-V186 HydrophobicContact CD1-CG1 4.31Å; L151-V186 HydrophobicContact CD2-CB 4.44Å; L151-V186 HydrophobicContact CD2-CG1 4.31Å; L151-V186 HydrophobicContact CD2-CG2 4.42Å; Y182-V186 HydrophobicContact CE1-CG2 4.35Å; Y182-V186 HydrophobicContact CE2-CG2 4.36Å; Y182-V186 WeakPolarHBondContact O-CG2 3.47Å; Y182-V186 PolarHBondContact O-N 2.99Å; N183-V186 PolarHBondContact O-N 2.86Å; T184-V186 VanDerWaalsContact C-N 3.35Å; T184-V186 PolarHBondContact O-N 3.19Å; V186-S189 PolarHBondContact O-N 3.39Å; V186-H190 WeakPolarHBondContact O-CB 3.37Å; V186-H190 PolarHBondContact O-N 3.35Å |
| 187 | L | 90.9 | Very high | 85.9 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.8 | -44.1 | -178.3 | -68.9 | 172.9 | 0 | 0 | 0 | 111.7 | W141 L142 A145 L151 I154 F175 T179 N183 H190 L191 | W141-L187 HydrophobicContact CH2-CB 4.01Å; W141-L187 HydrophobicContact CH2-CD2 3.75Å; W141-L187 HydrophobicContact CH2-CG 4.41Å; W141-L187 HydrophobicContact CZ2-CB 4.39Å; W141-L187 HydrophobicContact CZ2-CD2 3.88Å; W141-L187 HydrophobicContact CZ3-CD2 4.34Å; L142-L187 HydrophobicContact CD1-CD1 4.04Å; L142-L187 HydrophobicContact CD1-CD2 4.02Å; A145-L187 HydrophobicContact CB-CD2 3.71Å; L151-L187 HydrophobicContact CD1-CD2 4.11Å; L151-L187 HydrophobicContact CD1-CG 4.22Å; I154-L187 HydrophobicContact CD1-CD1 4.3Å; F175-L187 HydrophobicContact CD1-CB 4.34Å; F175-L187 HydrophobicContact CD1-CD1 4.29Å; F175-L187 HydrophobicContact CE1-CB 4.11Å; F175-L187 HydrophobicContact CE1-CD1 4.35Å; T179-L187 HydrophobicContact CG2-CD1 4.28Å; N183-L187 WeakPolarHBondContact O-CB 3.18Å; N183-L187 VanDerWaalsContact O-CG 3.28Å; N183-L187 WeakPolarHBondContact O-CG 3.38Å; N183-L187 PolarHBondContact O-N 3.02Å; L187-H190 PolarHBondContact O-N 3.04Å; L187-L191 WeakPolarHBondContact O-CB 3.38Å; L187-L191 PolarHBondContact O-N 2.99Å |
| 188 | L | 89.7 | Confident | 84.7 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70.2 | -37.2 | -179.6 | -170.8 | 63.1 | 0 | 0 | 0 | 112.1 | K172 F175 T184 L191 S192 | K172-L188 HydrophobicContact CB-CD2 4.34Å; F175-L188 HydrophobicContact CD2-CD1 4.41Å; F175-L188 HydrophobicContact CE2-CD1 4.13Å; T184-L188 WeakPolarHBondContact O-CB 3.49Å; T184-L188 PolarHBondContact O-N 3.24Å; L188-L191 PolarHBondContact O-N 2.98Å; L188-S192 PolarHBondContact O-N 3.47Å; L188-S192 PolarHBondContact O-OG 3.46Å |
| 189 | S | 88.2 | Confident | 83.3 | Confident | 73 Ų | 73 | 59.3 Ų | 59.3 | 51% | 0.51 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 173.8 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | E185 V186 S192 Y193 | E185-S189 WeakPolarHBondContact O-CB 3.36Å; E185-S189 PolarHBondContact O-N 3.38Å; V186-S189 PolarHBondContact O-N 3.39Å; S189-S192 PolarHBondContact O-N 3.25Å; S189-S192 PolarHBondContact O-OG 3.36Å; S189-Y193 WeakPolarHBondContact O-CB 3.4Å; S189-Y193 PolarHBondContact O-N 3.2Å |
| 190 | H | 88.7 | Confident | 81.7 | Confident | 30 Ų | 30 | 63.3 Ų | 63.3 | 14% | 0.139 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 173.5 | -167.6 | -80.8 | 0 | 0 | 0 | 111.9 | W141 W144 Y149 V186 L187 Y193 L194 | W141-H190 AromaticContact NE1-CE1 3.72Å; W141-H190 AromaticContact NE1-CG 4Å; W141-H190 AromaticContact NE1-ND1 3.2Å; W141-H190 PolarHBondContact NE1-ND1 3.03Å; W141-H190 VanDerWaalsContact NE1-ND1 3.2Å; W144-H190 AromaticContact CH2-CD2 3.83Å; W144-H190 AromaticContact CH2-NE2 3.34Å; W144-H190 VanDerWaalsContact CH2-NE2 3.34Å; W144-H190 WeakPolarHBondContact CH2-NE2 3.35Å; W144-H190 AromaticContact CZ3-CD2 3.88Å; W144-H190 AromaticContact CZ3-CE1 3.65Å; W144-H190 AromaticContact CZ3-NE2 3.43Å; W144-H190 WeakPolarHBondContact CZ3-NE2 3.32Å; Y149-H190 PolarHBondContact OH-CD2 3.37Å; V186-H190 WeakPolarHBondContact O-CB 3.37Å; V186-H190 PolarHBondContact O-N 3.35Å; L187-H190 PolarHBondContact O-N 3.04Å; H190-Y193 PolarHBondContact O-N 3.44Å; H190-L194 WeakPolarHBondContact O-CG 3.44Å; H190-L194 PolarHBondContact O-N 2.94Å; H190-L194 VanDerWaalsContact O-N 3.11Å |
| 191 | L | 88.6 | Confident | 80 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67 | -37.5 | 178.4 | -168.4 | 67.4 | 0 | 0 | 0 | 112.3 | P130 W133 L167 F175 L187 L188 R195 | P130-L191 HydrophobicContact CB-CD1 3.57Å; P130-L191 HydrophobicContact CG-CD1 3.88Å; W133-L191 HydrophobicContact CZ3-CD1 4.33Å; L167-L191 HydrophobicContact CD2-CD1 3.91Å; L167-L191 HydrophobicContact CD2-CD2 4.47Å; L167-L191 HydrophobicContact CG-CD1 4.39Å; L167-L191 HydrophobicContact CG-CD2 4.1Å; F175-L191 HydrophobicContact CZ-CD2 4.4Å; L187-L191 WeakPolarHBondContact O-CB 3.38Å; L187-L191 PolarHBondContact O-N 2.99Å; L188-L191 PolarHBondContact O-N 2.98Å; L191-R195 WeakPolarHBondContact O-CG 3.4Å; L191-R195 PolarHBondContact O-N 2.95Å |
| 192 | S | 85.4 | Confident | 78.1 | Confident | 64 Ų | 64 | 65.1 Ų | 65.1 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.3 | -41.4 | 174 | 60.6 | 0 | 0 | 0 | 0 | 112.1 | L188 S189 L194 R195 E196 | L188-S192 PolarHBondContact O-N 3.47Å; L188-S192 PolarHBondContact O-OG 3.46Å; S189-S192 PolarHBondContact O-N 3.25Å; S189-S192 PolarHBondContact O-OG 3.36Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-L194 PolarHBondContact O-N 3.46Å; S192-R195 PolarHBondContact O-N 3.14Å; S192-R195 VanDerWaalsContact O-N 3.14Å; S192-E196 PolarHBondContact O-N 2.95Å |
| 193 | Y | 84.4 | Confident | 75.8 | Confident | 144 Ų | 144 | 64.8 Ų | 64.8 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -56.6 | -43.6 | 175.2 | 170.6 | -105.5 | 0 | 0 | 0 | 112.9 | S189 H190 E196 S197 | S189-Y193 WeakPolarHBondContact O-CB 3.4Å; S189-Y193 PolarHBondContact O-N 3.2Å; H190-Y193 PolarHBondContact O-N 3.44Å; Y193-E196 PolarHBondContact O-N 3.5Å; Y193-S197 VanDerWaalsContact O-CB 3.3Å; Y193-S197 WeakPolarHBondContact O-CB 3.35Å; Y193-S197 PolarHBondContact O-N 3.31Å; Y193-S197 PolarHBondContact O-OG 2.78Å |
| 194 | L | 84.3 | Confident | 73.5 | Confident | 29 Ų | 29 | 70 Ų | 70 | 15% | 0.152 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 175.8 | -71.2 | 172.1 | 0 | 0 | 0 | 112.5 | P130 W133 H190 S192 S198 | P130-L194 HydrophobicContact CG-CB 3.6Å; P130-L194 HydrophobicContact CG-CD1 3.99Å; P130-L194 HydrophobicContact CG-CG 4.48Å; W133-L194 HydrophobicContact CH2-CD1 3.58Å; W133-L194 HydrophobicContact CZ2-CD1 3.51Å; H190-L194 WeakPolarHBondContact O-CG 3.44Å; H190-L194 PolarHBondContact O-N 2.94Å; H190-L194 VanDerWaalsContact O-N 3.11Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-L194 PolarHBondContact O-N 3.46Å; L194-S198 WeakPolarHBondContact O-CB 3.4Å; L194-S198 PolarHBondContact O-N 2.68Å; L194-S198 PolarHBondContact O-OG 3.11Å |
| 195 | R | 79.4 | Confident | 70.7 | Confident | 122 Ų | 122 | 75.6 Ų | 75.6 | 46% | 0.46 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.2 | -42 | 177.7 | -72.1 | 175.3 | 61.5 | -170.8 | -2.9 | 112.2 | P130 L191 S192 S198 L199 | P130-R195 HydrophobicContact CG-CG 4.09Å; L191-R195 WeakPolarHBondContact O-CG 3.4Å; L191-R195 PolarHBondContact O-N 2.95Å; S192-R195 PolarHBondContact O-N 3.14Å; S192-R195 VanDerWaalsContact O-N 3.14Å; R195-S198 PolarHBondContact O-N 3.39Å; R195-L199 WeakPolarHBondContact O-CG 3.12Å; R195-L199 PolarHBondContact O-N 3.02Å |
| 196 | E | 71.1 | Confident | 68.1 | Low | 126 Ų | 126 | 76.3 Ų | 76.3 | 59% | 0.589 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -66 | -40.8 | 175.3 | -170.8 | 174.2 | -169.6 | 0 | 0 | 111.5 | S192 Y193 S198 L199 | S192-E196 PolarHBondContact O-N 2.95Å; Y193-E196 PolarHBondContact O-N 3.5Å; E196-S198 VanDerWaalsContact C-N 3.31Å; E196-S198 PolarHBondContact O-N 3.11Å; E196-L199 PolarHBondContact O-N 2.93Å |
| 197 | S | 65.8 | Low | 65.8 | Low | 48 Ų | 48 | 83.8 Ų | 83.8 | 34% | 0.336 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 173.4 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | Y193 L200 | Y193-S197 VanDerWaalsContact O-CB 3.3Å; Y193-S197 WeakPolarHBondContact O-CB 3.35Å; Y193-S197 PolarHBondContact O-N 3.31Å; Y193-S197 PolarHBondContact O-OG 2.78Å; S197-L200 PolarHBondContact O-N 2.94Å |
| 198 | S | 61 | Low | 63.5 | Low | 6 Ų | 6 | 89.9 Ų | 89.9 | 4% | 0.042 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -70.2 | -36.6 | 178.1 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | A128 D129 L194 R195 E196 L200 A201 Y202 | A128-S198 VanDerWaalsContact C-OG 3.3Å; A128-S198 PolarHBondContact O-OG 3.09Å; D129-S198 WeakPolarHBondContact CA-OG 3.23Å; D129-S198 PolarHBondContact N-OG 2.74Å; L194-S198 WeakPolarHBondContact O-CB 3.4Å; L194-S198 PolarHBondContact O-N 2.68Å; L194-S198 PolarHBondContact O-OG 3.11Å; R195-S198 PolarHBondContact O-N 3.39Å; E196-S198 VanDerWaalsContact C-N 3.31Å; E196-S198 PolarHBondContact O-N 3.11Å; S198-L200 PolarHBondContact O-N 3.34Å; S198-L200 VanDerWaalsContact O-N 3.17Å; S198-A201 WeakPolarHBondContact O-CB 3.23Å; S198-A201 PolarHBondContact O-N 2.99Å; S198-Y202 WeakPolarHBondContact CB-OH 3.28Å; S198-Y202 WeakPolarHBondContact O-CE1 3.35Å; S198-Y202 WeakPolarHBondContact O-CE2 3.07Å |
| 199 | L | 57.3 | Low | 60.6 | Low | 110 Ų | 110 | 94.8 Ų | 94.8 | 58% | 0.576 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -58.9 | -26.5 | 175.4 | -77.8 | 164.9 | 0 | 0 | 0 | 113.4 | R195 E196 Y202 | R195-L199 WeakPolarHBondContact O-CG 3.12Å; R195-L199 PolarHBondContact O-N 3.02Å; E196-L199 PolarHBondContact O-N 2.93Å; L199-Y202 HydrophobicContact CD2-CD2 4.15Å; L199-Y202 HydrophobicContact CD2-CE2 4.01Å; L199-Y202 HydrophobicContact CG-CE2 4.41Å |
| 200 | L | 55.8 | Low | 58 | Low | 97 Ų | 97 | 99.9 Ų | 99.9 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -76.8 | -26.4 | 175.4 | -60.6 | 174.7 | 0 | 0 | 0 | 112.9 | S197 S198 | S197-L200 PolarHBondContact O-N 2.94Å; S198-L200 PolarHBondContact O-N 3.34Å; S198-L200 VanDerWaalsContact O-N 3.17Å |
| 201 | A | 54.5 | Low | 55.3 | Low | 65 Ų | 65 | 103.5 Ų | 103.5 | 54% | 0.537 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.6 | -35.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S198 N203 T204 | S198-A201 WeakPolarHBondContact O-CB 3.23Å; S198-A201 PolarHBondContact O-N 2.99Å; A201-N203 VanDerWaalsContact C-N 3.26Å; A201-N203 PolarHBondContact O-N 3.44Å; A201-T204 PolarHBondContact O-N 3.28Å |
| 202 | Y | 46.1 | Very low | 52.6 | Low | 121 Ų | 121 | 108.4 Ų | 108.4 | 48% | 0.475 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.7 | -22.5 | -176.3 | -44.7 | -37.1 | 0 | 0 | 0 | 113.7 | D129 S198 L199 | D129-Y202 PolarHBondContact OD2-OH 2.77Å; S198-Y202 WeakPolarHBondContact CB-OH 3.28Å; S198-Y202 WeakPolarHBondContact O-CE1 3.35Å; S198-Y202 WeakPolarHBondContact O-CE2 3.07Å; L199-Y202 HydrophobicContact CD2-CD2 4.15Å; L199-Y202 HydrophobicContact CD2-CE2 4.01Å; L199-Y202 HydrophobicContact CG-CE2 4.41Å |
| 203 | N | 40.4 | Very low | 50.1 | Low | 147 Ų | 147 | 116.7 Ų | 116.7 | 79% | 0.786 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -2.8 | -178.1 | -85.3 | -5.5 | 0 | 0 | 0 | 114.4 | A201 | A201-N203 VanDerWaalsContact C-N 3.26Å; A201-N203 PolarHBondContact O-N 3.44Å |
| 204 | T | 41.8 | Very low | 47.7 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | trans | -110.7 | 84.3 | 175.9 | -62.3 | 0 | 0 | 0 | 0 | 110.4 | A201 | A201-T204 PolarHBondContact O-N 3.28Š| ||
| 205 | T | 32.7 | Very low | 45.1 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 71% | 0.712 | 66% | 0.661 | S | S | * | * | trans | -128.6 | 70.1 | 171.4 | -49.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 206 | S | 34.1 | Very low | 42.8 | Very low | 105 Ų | 105 | 122 Ų | 122 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | trans | -81.4 | 130.5 | 164.1 | -64.3 | 0 | 0 | 0 | 0 | 109 | T208 | S206-T208 PolarHBondContact O-N 3.13Š| ||
| 207 | H | 41.7 | Very low | 41 | Very low | 185 Ų | 185 | 125.6 Ų | 125.6 | 86% | 0.856 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -63.4 | 96.1 | -166 | -67.4 | -82.1 | 0 | 0 | 0 | 115.5 | ||
| 208 | T | 41.9 | Very low | 39.5 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | -141.1 | 59.8 | 159.5 | 55.1 | 0 | 0 | 0 | 0 | 111.5 | S206 Q210 | S206-T208 PolarHBondContact O-N 3.13Å; T208-Q210 PolarHBondContact O-N 2.94Å; T208-Q210 VanDerWaalsContact O-N 3.13Å | ||
| 209 | D | 29.8 | Very low | 38 | Very low | 154 Ų | 154 | 139 Ų | 139 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | -78.8 | 92.5 | -179.9 | -162.4 | -22.1 | 0 | 0 | 0 | 111.1 | S211 | D209-S211 PolarHBondContact O-N 3.11Š| ||
| 210 | Q | 32.7 | Very low | 37 | Very low | 180 Ų | 180 | 139.5 Ų | 139.5 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | trans | -85.2 | 103.4 | 174.1 | -75.8 | -159.7 | 3.8 | 0 | 0 | 111.2 | T208 S212 | T208-Q210 PolarHBondContact O-N 2.94Å; T208-Q210 VanDerWaalsContact O-N 3.13Å; Q210-S212 PolarHBondContact O-N 3.41Å; Q210-S212 VanDerWaalsContact O-N 3.08Å | ||
| 211 | S | 33 | Very low | 35.7 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -58.2 | 110.3 | 168.7 | -76.9 | 0 | 0 | 0 | 0 | 111.8 | D209 R213 | D209-S211 PolarHBondContact O-N 3.11Å; S211-R213 PolarHBondContact O-N 2.68Å | ||
| 212 | S | 30.8 | Very low | 34.7 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -71.5 | 81.9 | 179.3 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | Q210 | Q210-S212 PolarHBondContact O-N 3.41Å; Q210-S212 VanDerWaalsContact O-N 3.08Å | ||
| 213 | R | 34.3 | Very low | 34.1 | Very low | 237 Ų | 237 | 148.4 Ų | 148.4 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -101.1 | 90.1 | 166.1 | -82.7 | -170 | 173.3 | -121.8 | 1.5 | 110.7 | S211 | S211-R213 PolarHBondContact O-N 2.68Š| ||
| 214 | L | 33.9 | Very low | 33.6 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | trans | -104.4 | 109.2 | 162.5 | -67.1 | 177.1 | 0 | 0 | 0 | 108.8 | ||||
| 215 | S | 30 | Very low | 33.4 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 116.8 | 167.1 | -172.5 | 0 | 0 | 0 | 0 | 107.7 | K217 | S215-K217 PolarHBondContact O-N 2.69Š|
| 216 | V | 29.7 | Very low | 33.5 | Very low | 118 Ų | 118 | 152.6 Ų | 152.6 | 72% | 0.715 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 133.9 | 170.5 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | E218 | V216-E218 HydrophobicContact CG1-CG 3.92Š|
| 217 | K | 34.6 | Very low | 33.5 | Very low | 201 Ų | 201 | 159.3 Ų | 159.3 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 121.1 | 159.2 | -80.4 | -174.7 | 172.7 | -175.9 | 0 | 107.1 | S215 | S215-K217 PolarHBondContact O-N 2.69Š|
| 218 | E | 33.3 | Very low | 32.9 | Very low | 180 Ų | 180 | 154 Ų | 154 | 84% | 0.841 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 122.5 | 168.9 | -60.8 | -177.4 | 132.2 | 0 | 0 | 108.1 | V216 | V216-E218 HydrophobicContact CG1-CG 3.92Š|
| 219 | D | 29.9 | Very low | 32.2 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 133.6 | 164.4 | -106.3 | -51 | 0 | 0 | 0 | 108.5 | S221 | D219-S221 PolarHBondContact O-N 3.06Š|
| 220 | P | 36.2 | Very low | 32.2 | Very low | 120 Ų | 120 | 156.9 Ų | 156.9 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 118.9 | -170.9 | 28.8 | -34.1 | 0 | 0 | 0 | 111.9 | ||
| 221 | S | 29.1 | Very low | 32.1 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 153.5 | 172.7 | -165.8 | 0 | 0 | 0 | 0 | 112.2 | D219 D223 | D219-S221 PolarHBondContact O-N 3.06Å; S221-D223 PolarHBondContact O-N 2.77Å; S221-D223 VanDerWaalsContact O-N 3.07Å |
| 222 | Y | 32.4 | Very low | 32 | Very low | 201 Ų | 201 | 154.3 Ų | 154.3 | 79% | 0.788 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -78.4 | 86.8 | -168.3 | -178.3 | -94.5 | 0 | 0 | 0 | 112.5 | V225 | Y222-V225 HydrophobicContact CE2-CG2 4.25Š|
| 223 | D | 34.3 | Very low | 31.9 | Very low | 147 Ų | 147 | 155.7 Ų | 155.7 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -157.3 | 73.9 | 158.6 | -137.5 | -27.2 | 0 | 0 | 0 | 114.7 | S221 | S221-D223 PolarHBondContact O-N 2.77Å; S221-D223 VanDerWaalsContact O-N 3.07Å | ||
| 224 | S | 29.7 | Very low | 31.7 | Very low | 119 Ų | 119 | 151.8 Ų | 151.8 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -162 | 41.3 | 167.7 | -86.4 | 0 | 0 | 0 | 0 | 114.3 | R226 | S224-R226 PolarHBondContact O-N 3.27Š| ||
| 225 | V | 38.1 | Very low | 31.6 | Very low | 113 Ų | 113 | 150.3 Ų | 150.3 | 69% | 0.685 | 80% | 0.804 | S | S | * | * | trans | -92.1 | 70.1 | 174.6 | -170.9 | 0 | 0 | 0 | 0 | 111.1 | Y222 | Y222-V225 HydrophobicContact CE2-CG2 4.25Š| ||
| 226 | R | 33.3 | Very low | 31.5 | Very low | 233 Ų | 233 | 149.9 Ų | 149.9 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -161.4 | 105.1 | 164.2 | -114.7 | 166.1 | -159.6 | -116.5 | 0.7 | 114.1 | S224 | S224-R226 PolarHBondContact O-N 3.27Š|
| 227 | R | 35 | Very low | 31.5 | Very low | 247 Ų | 247 | 147.9 Ų | 147.9 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | trans | 64.5 | 138.5 | -175.7 | -39.6 | -175.3 | -148.3 | -110.6 | 9 | 113.1 | ||||
| 228 | G | 28.7 | Very low | 31.4 | Very low | 74 Ų | 74 | 145.8 Ų | 145.8 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | cis | 121.7 | 132.4 | -5.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 229 | A | 27.5 | Very low | 31.2 | Very low | 82 Ų | 82 | 143.8 Ų | 143.8 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | 81.7 | 100.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 230 | W | 30.7 | Very low | 31.3 | Very low | 260 Ų | 260 | 144.8 Ų | 144.8 | 99% | 0.985 | 79% | 0.794 | S | S | * | * | trans | 71.4 | 141.4 | 140.9 | -43.1 | -4.2 | 0 | 0 | 0 | 117.1 | ||||
| 231 | G | 30.3 | Very low | 30.9 | Very low | 71 Ų | 71 | 144.4 Ų | 144.4 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | cis | 177 | 167.3 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 232 | N | 30.1 | Very low | 32 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | 45.2 | 108.3 | 158.6 | -69.4 | 7.8 | 0 | 0 | 0 | 122.6 | ||||
| 233 | N | 29.5 | Very low | 32.5 | Very low | 136 Ų | 136 | 140 Ų | 140 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | 83.1 | 131.1 | 107.6 | -158.9 | 43.4 | 0 | 0 | 0 | 122.8 | |||||
| 234 | M | 29.5 | Very low | 32.2 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 77% | 0.768 | 79% | 0.794 | S | S | * | * | trans | 74.8 | 115.7 | 147.1 | -95.1 | -178.2 | 176.6 | 0 | 0 | 124.1 | ||||
| 235 | N | 31.3 | Very low | 32.1 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | 91 | 115.8 | 116 | -153.4 | 31.9 | 0 | 0 | 0 | 122 | |||||
| 236 | S | 29.3 | Very low | 31.5 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | 21.6 | 128.3 | 139.4 | -162.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 237 | G | 29.7 | Very low | 31.2 | Very low | 76 Ų | 76 | 131.6 Ų | 131.6 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -176.5 | 109.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 238 | L | 32.2 | Very low | 31.1 | Very low | 157 Ų | 157 | 128.3 Ų | 128.3 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -76.8 | 143.4 | 176.9 | -63.7 | 115 | 0 | 0 | 0 | 112.1 | ||||
| 239 | N | 29.4 | Very low | 30.9 | Very low | 139 Ų | 139 | 131.5 Ų | 131.5 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | 171.4 | 144.7 | 117.5 | -95.8 | -68.3 | 0 | 0 | 0 | 115.7 | |||||
| 240 | K | 30.9 | Very low | 31.3 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 77% | 0.774 | 80% | 0.799 | S | S | * | * | trans | 57 | 91 | 145.2 | -62.1 | 173.6 | -176.1 | -179 | 0 | 121.8 | ||||
| 241 | S | 27.6 | Very low | 31 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | 27.8 | 158.7 | 115.8 | 67.7 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 242 | P | 52.9 | Low | 31 | Very low | 118 Ų | 118 | 133.2 Ų | 133.2 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | -116.1 | 179.3 | -68 | 41.4 | -27.3 | 0 | 0 | 0 | 110.7 | |||||
| 243 | P | 41.8 | Very low | 30.6 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | -161.6 | 175.7 | 92.6 | 43.1 | -22.6 | 0 | 0 | 0 | 118 | |||||
| 244 | L | 29.5 | Very low | 30.8 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | 33.9 | 123.3 | 144.5 | -78 | 153.4 | 0 | 0 | 0 | 122.7 | ||||
| 245 | G | 27.3 | Very low | 30.7 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | 116.2 | 144.3 | 135.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 246 | G | 25.6 | Very low | 30.6 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | 88.6 | 102.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 247 | A | 25.7 | Very low | 30.7 | Very low | 102 Ų | 102 | 135 Ų | 135 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | 82.8 | 99.3 | 63.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 248 | Q | 32.9 | Very low | 30.9 | Very low | 179 Ų | 179 | 136.9 Ų | 136.9 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | 23.5 | 121.8 | 154.7 | -54 | -175.3 | 32.2 | 0 | 0 | 120.3 | ||||
| 249 | T | 24.9 | Very low | 30.9 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | -134.9 | 147.8 | 124.4 | 40.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 250 | I | 36.6 | Very low | 31.3 | Very low | 140 Ų | 140 | 134.3 Ų | 134.3 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | trans | -92.7 | 121.1 | -178.9 | -68.6 | 165.7 | 0 | 0 | 0 | 109.3 | K252 | I250-K252 HydrophobicContact CG2-CG 4.07Š| ||
| 251 | S | 23.3 | Very low | 31.9 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 81% | 0.811 | 75% | 0.745 | S | S | * | * | trans | -116.8 | 105 | 162.7 | -71 | 0 | 0 | 0 | 0 | 109.1 | N253 | S251-N253 PolarHBondContact O-N 3.44Å; S251-N253 VanDerWaalsContact O-N 3.11Å | ||
| 252 | K | 30.1 | Very low | 32.7 | Very low | 193 Ų | 193 | 124.6 Ų | 124.6 | 84% | 0.839 | 72% | 0.715 | S | S | * | * | trans | -71.1 | 100.8 | 175.5 | -65.9 | 175.7 | -179.6 | 176.3 | 0 | 109.1 | I250 | I250-K252 HydrophobicContact CG2-CG 4.07Š| ||
| 253 | N | 23.3 | Very low | 32.6 | Very low | 140 Ų | 140 | 121 Ų | 121 | 75% | 0.749 | 69% | 0.686 | S | S | * | * | trans | -93.9 | 115.9 | 163.3 | -162.3 | -0.3 | 0 | 0 | 0 | 109.1 | S251 E255 | S251-N253 PolarHBondContact O-N 3.44Å; S251-N253 VanDerWaalsContact O-N 3.11Å; N253-E255 PolarHBondContact O-N 2.84Å | ||
| 254 | T | 32.3 | Very low | 33.1 | Very low | 113 Ų | 113 | 121.7 Ų | 121.7 | 69% | 0.693 | 68% | 0.68 | S | S | * | * | trans | -82.5 | 72.9 | -179.5 | -54.2 | 0 | 0 | 0 | 0 | 109 | Q256 | T254-Q256 HydrophobicContact CG2-CG 4.47Å; T254-Q256 PolarHBondContact O-N 3.45Å | ||
| 255 | E | 27.6 | Very low | 34.2 | Very low | 123 Ų | 123 | 117.8 Ų | 117.8 | 58% | 0.575 | 66% | 0.659 | S | S | * | * | trans | -62.6 | 95.6 | 174.7 | 179.4 | 102.9 | 142.1 | 0 | 0 | 109.4 | N253 R257 | N253-E255 PolarHBondContact O-N 2.84Å; E255-R257 HydrophobicContact CG-CG 3.92Å; E255-R257 PolarHBondContact O-N 3.07Å; E255-R257 IonicContact OE1-CZ 2.66Å; E255-R257 IonicContact OE1-NE 2.71Å; E255-R257 PolarHBondContact OE1-NE 3.07Å; E255-R257 VanDerWaalsContact OE1-NE 3.12Å; E255-R257 IonicContact OE1-NH2 2.88Å; E255-R257 PolarHBondContact OE1-NH2 3.18Å | ||
| 256 | Q | 30.7 | Very low | 35.8 | Very low | 181 Ų | 181 | 114.1 Ų | 114.1 | 85% | 0.846 | 62% | 0.621 | S | S | * | * | trans | -72.7 | 78.6 | 173 | -64.5 | -178.6 | 12.2 | 0 | 0 | 109.6 | T254 | T254-Q256 HydrophobicContact CG2-CG 4.47Å; T254-Q256 PolarHBondContact O-N 3.45Å | ||
| 257 | R | 31.2 | Very low | 37.3 | Very low | 182 Ų | 182 | 111.5 Ų | 111.5 | 69% | 0.687 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 151.3 | 169.3 | -92.4 | -171.1 | -166.6 | -159.5 | 0.3 | 111.9 | E255 Q259 | E255-R257 HydrophobicContact CG-CG 3.92Å; E255-R257 PolarHBondContact O-N 3.07Å; E255-R257 IonicContact OE1-CZ 2.66Å; E255-R257 IonicContact OE1-NE 2.71Å; E255-R257 PolarHBondContact OE1-NE 3.07Å; E255-R257 VanDerWaalsContact OE1-NE 3.12Å; E255-R257 IonicContact OE1-NH2 2.88Å; E255-R257 PolarHBondContact OE1-NH2 3.18Å; R257-Q259 PolarHBondContact O-N 3.27Å |
| 258 | P | 33.6 | Very low | 38.6 | Very low | 116 Ų | 116 | 110 Ų | 110 | 75% | 0.753 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 135.6 | -168.3 | 25.1 | -34.5 | 0 | 0 | 0 | 111 | ||
| 259 | Q | 30.9 | Very low | 39.7 | Very low | 156 Ų | 156 | 103.5 Ų | 103.5 | 73% | 0.729 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 134.9 | 152.2 | -73 | -73.2 | -13.9 | 0 | 0 | 107.4 | R257 D261 | R257-Q259 PolarHBondContact O-N 3.27Å; Q259-D261 PolarHBondContact O-N 3.04Å |
| 260 | P | 38.7 | Very low | 41.2 | Very low | 85 Ų | 85 | 96.9 Ų | 96.9 | 55% | 0.552 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -57 | 119.6 | 167.2 | 26.1 | -32.4 | 0 | 0 | 0 | 106.5 | ||
| 261 | D | 42.7 | Very low | 42 | Very low | 64 Ų | 64 | 94 Ų | 94 | 34% | 0.342 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 128.1 | -170.5 | -175.4 | -27.6 | 0 | 0 | 0 | 108.2 | Q259 Y263 Q264 | Q259-D261 PolarHBondContact O-N 3.04Å; D261-Y263 VanDerWaalsContact CG-CD2 3.44Å; D261-Y263 PolarHBondContact O-N 3.39Å; D261-Y263 WeakPolarHBondContact OD1-CB 3.34Å; D261-Y263 WeakPolarHBondContact OD1-CD2 2.87Å; D261-Y263 WeakPolarHBondContact OD1-CE2 3.43Å; D261-Y263 PolarHBondContact OD1-N 2.74Å; D261-Y263 WeakPolarHBondContact OD2-CD2 3.47Å; D261-Q264 HydrophobicContact CB-CG 4.13Å; D261-Q264 WeakPolarHBondContact O-CA 3.2Å; D261-Q264 VanDerWaalsContact O-CB 3.23Å; D261-Q264 WeakPolarHBondContact O-CB 3.14Å; D261-Q264 PolarHBondContact O-N 3.21Å |
| 262 | P | 44.7 | Very low | 43.7 | Very low | 22 Ų | 22 | 97 Ų | 97 | 14% | 0.143 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -53.6 | -22.2 | 177.4 | 19 | -32.4 | 0 | 0 | 0 | 113.9 | Q264 I265 L266 N306 | P262-Q264 VanDerWaalsContact C-N 3.29Å; P262-Q264 PolarHBondContact O-N 3.34Å; P262-I265 PolarHBondContact O-N 2.88Å; P262-L266 PolarHBondContact O-N 3.37Å; P262-N306 HydrophobicContact CB-CB 4.43Å; P262-N306 VanDerWaalsContact CG-N 3.33Å |
| 263 | Y | 51.4 | Low | 45.1 | Very low | 41 Ų | 41 | 89.6 Ų | 89.6 | 16% | 0.161 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -68.7 | -25.6 | 172.2 | -46.8 | -40.9 | 0 | 0 | 0 | 112.4 | D261 I265 L266 G267 W302 E303 G304 | D261-Y263 VanDerWaalsContact CG-CD2 3.44Å; D261-Y263 PolarHBondContact O-N 3.39Å; D261-Y263 WeakPolarHBondContact OD1-CB 3.34Å; D261-Y263 WeakPolarHBondContact OD1-CD2 2.87Å; D261-Y263 WeakPolarHBondContact OD1-CE2 3.43Å; D261-Y263 PolarHBondContact OD1-N 2.74Å; D261-Y263 WeakPolarHBondContact OD2-CD2 3.47Å; Y263-I265 VanDerWaalsContact C-N 3.33Å; Y263-L266 PolarHBondContact O-N 3.5Å; Y263-G267 PolarHBondContact O-N 2.92Å; Y263-W302 HydrophobicContact CD1-CB 3.61Å; Y263-W302 AromaticContact CD1-CD2 3.27Å; Y263-W302 HydrophobicContact CD1-CD2 3.27Å; Y263-W302 AromaticContact CD1-CE3 3.41Å; Y263-W302 HydrophobicContact CD1-CE3 3.41Å; Y263-W302 VanDerWaalsContact CD1-CE3 3.41Å; Y263-W302 AromaticContact CD1-CG 3.39Å; Y263-W302 HydrophobicContact CD1-CG 3.39Å; Y263-W302 HydrophobicContact CD1-CZ3 4.26Å; Y263-W302 HydrophobicContact CD2-CB 3.72Å; Y263-W302 HydrophobicContact CD2-CG 4.04Å; Y263-W302 HydrophobicContact CE1-CB 3.58Å; Y263-W302 AromaticContact CE1-CD2 3.81Å; Y263-W302 HydrophobicContact CE1-CD2 3.81Å; Y263-W302 AromaticContact CE1-CE3 3.6Å; Y263-W302 HydrophobicContact CE1-CE3 3.6Å; Y263-W302 AromaticContact CE1-CG 3.85Å; Y263-W302 HydrophobicContact CE1-CG 3.85Å; Y263-W302 HydrophobicContact CE2-CB 3.72Å; Y263-W302 HydrophobicContact CE2-CG 4.46Å; Y263-W302 HydrophobicContact CG-CB 3.7Å; Y263-W302 AromaticContact CG-CD1 3.87Å; Y263-W302 AromaticContact CG-CD2 3.85Å; Y263-W302 HydrophobicContact CG-CD2 3.85Å; Y263-W302 HydrophobicContact CG-CE3 4.41Å; Y263-W302 AromaticContact CG-CG 3.52Å; Y263-W302 HydrophobicContact CG-CG 3.52Å; Y263-E303 PolarHBondContact OH-N 2.97Å; Y263-E303 PolarHBondContact OH-O 3.37Å; Y263-G304 PolarHBondContact OH-N 3.03Å; Y263-G304 PolarHBondContact OH-O 3.24Å |
| 264 | Q | 51.3 | Low | 46.6 | Very low | 129 Ų | 129 | 83.4 Ų | 83.4 | 60% | 0.603 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -73.8 | -16.1 | 170.1 | -63.7 | 174.1 | -1.6 | 0 | 0 | 113.9 | D261 P262 P268 | D261-Q264 HydrophobicContact CB-CG 4.13Å; D261-Q264 WeakPolarHBondContact O-CA 3.2Å; D261-Q264 VanDerWaalsContact O-CB 3.23Å; D261-Q264 WeakPolarHBondContact O-CB 3.14Å; D261-Q264 PolarHBondContact O-N 3.21Å; P262-Q264 VanDerWaalsContact C-N 3.29Å; P262-Q264 PolarHBondContact O-N 3.34Å; Q264-P268 WeakPolarHBondContact O-CD 3.4Å; Q264-P268 WeakPolarHBondContact O-CG 3.23Å |
| 265 | I | 53.9 | Low | 47.8 | Very low | 95 Ų | 95 | 83.8 Ų | 83.8 | 49% | 0.487 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -80 | -45.5 | 168.6 | -60.1 | 177.3 | 0 | 0 | 0 | 109 | P262 Y263 T269 F362 | P262-I265 PolarHBondContact O-N 2.88Å; Y263-I265 VanDerWaalsContact C-N 3.33Å; I265-T269 PolarHBondContact O-OG1 3.4Å; I265-T269 VanDerWaalsContact O-OG1 3.11Å; I265-F362 HydrophobicContact CB-CE1 4.42Å; I265-F362 HydrophobicContact CG2-CE1 3.97Å |
| 266 | L | 59.6 | Low | 49.1 | Very low | 3 Ų | 3 | 83.8 Ų | 83.8 | 2% | 0.016 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -75.1 | -25.5 | -178.2 | -67.5 | 173.1 | 0 | 0 | 0 | 113.6 | P262 Y263 S270 L288 W302 G307 F360 F362 | P262-L266 PolarHBondContact O-N 3.37Å; Y263-L266 PolarHBondContact O-N 3.5Å; L266-S270 WeakPolarHBondContact O-CB 2.92Å; L266-S270 PolarHBondContact O-N 2.76Å; L266-S270 PolarHBondContact O-OG 2.92Å; L266-L288 HydrophobicContact CB-CD2 4.37Å; L266-L288 HydrophobicContact CD2-CD2 4.32Å; L266-W302 HydrophobicContact CB-CH2 3.84Å; L266-W302 HydrophobicContact CB-CZ2 3.83Å; L266-W302 HydrophobicContact CD1-CH2 3.37Å; L266-W302 HydrophobicContact CD1-CZ2 4.19Å; L266-W302 HydrophobicContact CD1-CZ3 3.71Å; L266-W302 HydrophobicContact CG-CH2 4.22Å; L266-G307 VanDerWaalsContact CD1-CA 3.47Å; L266-F360 HydrophobicContact CD1-CD2 4.47Å; L266-F362 HydrophobicContact CD1-CE1 4.05Å; L266-F362 HydrophobicContact CD1-CZ 3.81Å; L266-F362 HydrophobicContact CD2-CD1 4.08Å; L266-F362 HydrophobicContact CD2-CE1 3.53Å; L266-F362 HydrophobicContact CD2-CZ 4.14Å; L266-F362 HydrophobicContact CG-CE1 3.65Å; L266-F362 HydrophobicContact CG-CZ 3.9Å |
| 267 | G | 57.8 | Low | 50.4 | Low | 20 Ų | 20 | 78.1 Ų | 78.1 | 21% | 0.206 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -57.7 | -64.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y263 T269 S270 S271 | Y263-G267 PolarHBondContact O-N 2.92Å; G267-T269 PolarHBondContact O-N 3.5Å; G267-S270 PolarHBondContact O-N 2.98Å; G267-S270 VanDerWaalsContact O-N 3.11Å; G267-S270 PolarHBondContact O-OG 3.42Å; G267-S271 PolarHBondContact O-N 3.32Å; G267-S271 PolarHBondContact O-OG 2.94Å |
| 268 | P | 53.9 | Low | 52 | Low | 72 Ų | 72 | 71.4 Ų | 71.4 | 47% | 0.468 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.5 | -26.4 | 178.5 | -23 | 34.5 | 0 | 0 | 0 | 113.9 | Q264 S271 R272 | Q264-P268 WeakPolarHBondContact O-CD 3.4Å; Q264-P268 WeakPolarHBondContact O-CG 3.23Å; P268-S271 PolarHBondContact O-OG 3.38Å; P268-R272 WeakPolarHBondContact O-CG 3.3Å |
| 269 | T | 55.3 | Low | 53.6 | Low | 42 Ų | 42 | 68.1 Ų | 68.1 | 26% | 0.258 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -72.8 | -47.9 | 172.2 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | I265 G267 S271 R272 L273 L369 | I265-T269 PolarHBondContact O-OG1 3.4Å; I265-T269 VanDerWaalsContact O-OG1 3.11Å; G267-T269 PolarHBondContact O-N 3.5Å; T269-S271 PolarHBondContact O-N 2.89Å; T269-R272 PolarHBondContact O-N 3.4Å; T269-L273 HydrophobicContact CG2-CD1 3.49Å; T269-L273 VanDerWaalsContact CG2-CD1 3.49Å; T269-L273 HydrophobicContact CG2-CG 4.2Å; T269-L273 WeakPolarHBondContact O-CB 3.35Å; T269-L273 WeakPolarHBondContact O-CG 3.44Å; T269-L273 PolarHBondContact O-N 3.29Å; T269-L273 VanDerWaalsContact O-N 3.09Å; T269-L369 HydrophobicContact CG2-CD1 4.25Å |
| 270 | S | 57.3 | Low | 56.2 | Low | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.007 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -58.7 | -44.3 | -178.2 | 65.7 | 0 | 0 | 0 | 0 | 113.2 | L266 G267 R272 L273 A274 L288 S292 | L266-S270 WeakPolarHBondContact O-CB 2.92Å; L266-S270 PolarHBondContact O-N 2.76Å; L266-S270 PolarHBondContact O-OG 2.92Å; G267-S270 PolarHBondContact O-N 2.98Å; G267-S270 VanDerWaalsContact O-N 3.11Å; G267-S270 PolarHBondContact O-OG 3.42Å; S270-R272 VanDerWaalsContact C-N 3.32Å; S270-R272 PolarHBondContact O-N 3.17Å; S270-L273 PolarHBondContact O-N 3.33Å; S270-A274 PolarHBondContact O-N 3.03Å; S270-A274 VanDerWaalsContact O-N 3.08Å; S270-L288 WeakPolarHBondContact CB-O 3.38Å; S270-S292 WeakPolarHBondContact OG-CB 3.39Å |
| 271 | S | 53.3 | Low | 58.6 | Low | 81 Ų | 81 | 65.3 Ų | 65.3 | 57% | 0.566 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -70.9 | -23.2 | 179.5 | 57.2 | 0 | 0 | 0 | 0 | 113.9 | G267 P268 T269 | G267-S271 PolarHBondContact O-N 3.32Å; G267-S271 PolarHBondContact O-OG 2.94Å; P268-S271 PolarHBondContact O-OG 3.38Å; T269-S271 PolarHBondContact O-N 2.89Å |
| 272 | R | 57.8 | Low | 61 | Low | 179 Ų | 179 | 66.3 Ų | 66.3 | 68% | 0.675 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -84.2 | -18.6 | 171 | -71.4 | -178.7 | -176.4 | -114.6 | 9.6 | 113.7 | P268 T269 S270 | P268-R272 WeakPolarHBondContact O-CG 3.3Å; T269-R272 PolarHBondContact O-N 3.4Å; S270-R272 VanDerWaalsContact C-N 3.32Å; S270-R272 PolarHBondContact O-N 3.17Å |
| 273 | L | 60 | Low | 63.4 | Low | 37 Ų | 37 | 65.4 Ų | 65.4 | 19% | 0.194 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -99.9 | -20.8 | -175.8 | -69.2 | 178.1 | 0 | 0 | 0 | 114.5 | T269 S270 W284 Q285 L369 | T269-L273 HydrophobicContact CG2-CD1 3.49Å; T269-L273 VanDerWaalsContact CG2-CD1 3.49Å; T269-L273 HydrophobicContact CG2-CG 4.2Å; T269-L273 WeakPolarHBondContact O-CB 3.35Å; T269-L273 WeakPolarHBondContact O-CG 3.44Å; T269-L273 PolarHBondContact O-N 3.29Å; T269-L273 VanDerWaalsContact O-N 3.09Å; S270-L273 PolarHBondContact O-N 3.33Å; L273-W284 HydrophobicContact CD1-CH2 4.09Å; L273-W284 HydrophobicContact CD1-CZ3 3.91Å; L273-Q285 PolarHBondContact O-NE2 3.08Å; L273-L369 HydrophobicContact CD1-CD1 4.05Å; L273-L369 HydrophobicContact CD1-CD2 3.38Å; L273-L369 HydrophobicContact CD1-CG 4.36Å; L273-L369 HydrophobicContact CD2-CD1 4.16Å; L273-L369 HydrophobicContact CD2-CD2 3.69Å; L273-L369 HydrophobicContact CD2-CG 4.39Å; L273-L369 HydrophobicContact CG-CD2 4.18Å |
| 274 | A | 55.5 | Low | 65.4 | Low | 9 Ų | 9 | 63.6 Ų | 63.6 | 7% | 0.074 | 37% | 0.366 | C | S | . | . | trans | -88.1 | 100 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | S270 P276 I281 E289 | S270-A274 PolarHBondContact O-N 3.03Å; S270-A274 VanDerWaalsContact O-N 3.08Å; A274-P276 WeakPolarHBondContact O-CD 3.42Å; A274-P276 VanDerWaalsContact O-N 3.17Å; A274-I281 HydrophobicContact CB-CD1 4.25Å; A274-E289 HydrophobicContact CB-CB 3.86Å; A274-E289 HydrophobicContact CB-CG 3.67Å; A274-E289 WeakPolarHBondContact CB-OE2 3.43Å | ||
| 275 | N | 56.5 | Low | 67.4 | Low | 122 Ų | 122 | 59 Ų | 59 | 65% | 0.652 | 35% | 0.345 | S | S | * | . | trans | -65.1 | 107.9 | 161.3 | -86.6 | -29.4 | 0 | 0 | 0 | 107.9 | G277 S278 | N275-G277 PolarHBondContact O-N 3.1Å; N275-S278 WeakPolarHBondContact O-CB 3.27Å; N275-S278 PolarHBondContact O-N 3.15Å | ||
| 276 | P | 55.6 | Low | 69.3 | Low | 123 Ų | 123 | 54.6 Ų | 54.6 | 80% | 0.799 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 131 | -166.5 | -23.7 | 36 | 0 | 0 | 0 | 111.4 | A274 S278 | A274-P276 WeakPolarHBondContact O-CD 3.42Å; A274-P276 VanDerWaalsContact O-N 3.17Å; P276-S278 VanDerWaalsContact C-N 3.25Å; P276-S278 PolarHBondContact O-N 2.9Å |
| 277 | G | 58.6 | Low | 71.1 | Confident | 62 Ų | 62 | 54.5 Ų | 54.5 | 64% | 0.639 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -0.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116 | N275 G279 | N275-G277 PolarHBondContact O-N 3.1Å; G277-G279 PolarHBondContact O-N 2.99Å; G277-G279 VanDerWaalsContact O-N 3.08Å |
| 278 | S | 64.1 | Low | 72.7 | Confident | 40 Ų | 40 | 53.6 Ų | 53.6 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | trans | -67.9 | 110.5 | 177.4 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | N275 P276 Q280 I281 | N275-S278 WeakPolarHBondContact O-CB 3.27Å; N275-S278 PolarHBondContact O-N 3.15Å; P276-S278 VanDerWaalsContact C-N 3.25Å; P276-S278 PolarHBondContact O-N 2.9Å; S278-Q280 PolarHBondContact O-N 2.99Å; S278-Q280 PolarHBondContact OG-N 2.89Å; S278-I281 WeakPolarHBondContact O-CB 3.34Å; S278-I281 VanDerWaalsContact O-CG2 3.25Å; S278-I281 WeakPolarHBondContact O-CG2 3.13Å; S278-I281 PolarHBondContact O-N 3.49Å | ||
| 279 | G | 67.9 | Low | 74.5 | Confident | 47 Ų | 47 | 51.9 Ų | 51.9 | 49% | 0.485 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -8.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G277 K325 | G277-G279 PolarHBondContact O-N 2.99Å; G277-G279 VanDerWaalsContact O-N 3.08Å; G279-K325 WeakPolarHBondContact O-CE 3.22Å; G279-K325 PolarHBondContact O-NZ 3.46Å |
| 280 | Q | 83.8 | Confident | 76.3 | Confident | 175 Ų | 175 | 50.4 Ų | 50.4 | 82% | 0.818 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -16.8 | 174.5 | -66.3 | -174.8 | -7.8 | 0 | 0 | 113.8 | S278 K325 | S278-Q280 PolarHBondContact O-N 2.99Å; S278-Q280 PolarHBondContact OG-N 2.89Å; Q280-K325 PolarHBondContact O-NZ 2.8Å; Q280-K325 VanDerWaalsContact O-NZ 3.14Å |
| 281 | I | 89.3 | Confident | 78 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.041 | 29% | 0.29 | C | S | . | . | trans | -46.4 | 139.3 | -175.2 | -166.3 | 170.2 | 0 | 0 | 0 | 114.6 | A274 S278 Q285 F286 E289 W321 R324 K325 | A274-I281 HydrophobicContact CB-CD1 4.25Å; S278-I281 WeakPolarHBondContact O-CB 3.34Å; S278-I281 VanDerWaalsContact O-CG2 3.25Å; S278-I281 WeakPolarHBondContact O-CG2 3.13Å; S278-I281 PolarHBondContact O-N 3.49Å; I281-Q285 HydrophobicContact CD1-CB 3.97Å; I281-Q285 HydrophobicContact CG1-CB 3.62Å; I281-F286 HydrophobicContact CD1-CB 4.2Å; I281-F286 HydrophobicContact CG1-CB 4.43Å; I281-E289 WeakPolarHBondContact CD1-OE2 3.3Å; I281-W321 HydrophobicContact CG2-CZ3 4.3Å; I281-W321 WeakPolarHBondContact O-CH2 3.23Å; I281-R324 HydrophobicContact CG2-CG 3.69Å; I281-K325 HydrophobicContact CG2-CD 4.44Å; I281-K325 PolarHBondContact O-NZ 3.16Å | ||
| 282 | Q | 92.9 | Very high | 79.7 | Confident | 84 Ų | 84 | 49.7 Ų | 49.7 | 39% | 0.393 | 28% | 0.282 | S | S | . | . | trans | -80.4 | 156.8 | 176.5 | -59.4 | -179.6 | 58.7 | 0 | 0 | 111.8 | W284 Q285 F286 | Q282-W284 VanDerWaalsContact C-N 3.34Å; Q282-W284 VanDerWaalsContact CD-NE1 3.34Å; Q282-W284 PolarHBondContact O-N 2.86Å; Q282-Q285 HydrophobicContact CB-CG 4.33Å; Q282-Q285 VanDerWaalsContact CB-OE1 3.27Å; Q282-Q285 PolarHBondContact O-N 2.86Å; Q282-F286 WeakPolarHBondContact O-CB 3.15Å; Q282-F286 PolarHBondContact O-N 3.04Å | ||
| 283 | L | 95.2 | Very high | 81.1 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.3 | -40.6 | -177.9 | 175 | 59.8 | 0 | 0 | 0 | 112.1 | Q285 F286 L287 W321 L335 A338 L339 Y342 | L283-Q285 PolarHBondContact O-N 3.05Å; L283-F286 HydrophobicContact CD1-CD1 4.16Å; L283-F286 PolarHBondContact O-N 3.42Å; L283-L287 HydrophobicContact CD1-CD1 4.34Å; L283-L287 HydrophobicContact CD1-CD2 4.23Å; L283-L287 HydrophobicContact CD1-CG 4.01Å; L283-L287 HydrophobicContact CG-CD1 4.5Å; L283-L287 HydrophobicContact CG-CG 4.5Å; L283-L287 WeakPolarHBondContact O-CG 3.45Å; L283-L287 PolarHBondContact O-N 2.66Å; L283-W321 HydrophobicContact CB-CH2 3.85Å; L283-W321 HydrophobicContact CB-CZ2 3.69Å; L283-W321 HydrophobicContact CB-CZ3 4.39Å; L283-W321 HydrophobicContact CD1-CD2 3.75Å; L283-W321 HydrophobicContact CD1-CE3 4.11Å; L283-W321 HydrophobicContact CD1-CG 3.99Å; L283-W321 HydrophobicContact CD1-CZ2 4.32Å; L283-W321 HydrophobicContact CG-CZ2 4.49Å; L283-L335 HydrophobicContact CD1-CD1 4.14Å; L283-L335 HydrophobicContact CD1-CG 4.14Å; L283-L335 HydrophobicContact CD2-CD2 4.45Å; L283-L335 HydrophobicContact CD2-CG 4.15Å; L283-A338 HydrophobicContact CD2-CB 3.55Å; L283-L339 HydrophobicContact CD2-CD2 3.53Å; L283-L339 HydrophobicContact CD2-CG 4.12Å; L283-L339 HydrophobicContact CG-CD2 3.93Å; L283-Y342 HydrophobicContact CB-CE2 4.02Å; L283-Y342 HydrophobicContact CD2-CE2 4.33Å; L283-Y342 HydrophobicContact CG-CE2 4.28Å; L283-Y342 PolarHBondContact N-OH 3.43Å |
| 284 | W | 94.6 | Very high | 82.5 | Confident | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 178.1 | 70.3 | -96.9 | 0 | 0 | 0 | 112.7 | L273 Q282 L288 Y342 I347 M348 F360 I365 A368 L369 | L273-W284 HydrophobicContact CD1-CH2 4.09Å; L273-W284 HydrophobicContact CD1-CZ3 3.91Å; Q282-W284 VanDerWaalsContact C-N 3.34Å; Q282-W284 VanDerWaalsContact CD-NE1 3.34Å; Q282-W284 PolarHBondContact O-N 2.86Å; W284-L288 HydrophobicContact CE3-CD1 3.85Å; W284-L288 HydrophobicContact CZ3-CD1 3.89Å; W284-L288 WeakPolarHBondContact O-CG 3.49Å; W284-L288 PolarHBondContact O-N 3.29Å; W284-Y342 HydrophobicContact CB-CD2 4.39Å; W284-Y342 HydrophobicContact CB-CE2 3.97Å; W284-Y342 AromaticContact CD1-CE1 3.71Å; W284-Y342 AromaticContact CD1-CZ 3.66Å; W284-I347 HydrophobicContact CB-CG2 3.69Å; W284-I347 HydrophobicContact CD2-CG2 4.37Å; W284-I347 HydrophobicContact CG-CG2 3.81Å; W284-M348 HydrophobicContact CB-CE 3.87Å; W284-F360 HydrophobicContact CB-CE1 4.31Å; W284-I365 HydrophobicContact CD2-CD1 4.04Å; W284-I365 HydrophobicContact CE3-CD1 3.35Å; W284-I365 HydrophobicContact CZ3-CD1 3.67Å; W284-I365 HydrophobicContact CZ3-CG2 4.49Å; W284-A368 HydrophobicContact CH2-CB 4.4Å; W284-A368 HydrophobicContact CZ2-CB 3.85Å; W284-L369 HydrophobicContact CH2-CD2 3.5Å; W284-L369 VanDerWaalsContact CH2-CD2 3.5Å; W284-L369 HydrophobicContact CZ2-CD2 4.49Å; W284-L369 HydrophobicContact CZ3-CD2 4.08Å |
| 285 | Q | 92.7 | Very high | 84.2 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 16% | 0.159 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67 | -43.7 | 173.8 | -64.4 | 171.9 | -74 | 0 | 0 | 111.3 | L273 I281 Q282 L283 L287 L288 E289 | L273-Q285 PolarHBondContact O-NE2 3.08Å; I281-Q285 HydrophobicContact CD1-CB 3.97Å; I281-Q285 HydrophobicContact CG1-CB 3.62Å; Q282-Q285 HydrophobicContact CB-CG 4.33Å; Q282-Q285 VanDerWaalsContact CB-OE1 3.27Å; Q282-Q285 PolarHBondContact O-N 2.86Å; L283-Q285 PolarHBondContact O-N 3.05Å; Q285-L287 PolarHBondContact O-N 2.92Å; Q285-L288 WeakPolarHBondContact O-CB 3.43Å; Q285-L288 PolarHBondContact O-N 2.97Å; Q285-E289 PolarHBondContact O-N 2.93Å |
| 286 | F | 94.7 | Very high | 86 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.009 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 178.4 | 168.3 | -97.6 | 0 | 0 | 0 | 112.9 | I281 Q282 L283 E289 L290 R320 W321 R324 | I281-F286 HydrophobicContact CD1-CB 4.2Å; I281-F286 HydrophobicContact CG1-CB 4.43Å; Q282-F286 WeakPolarHBondContact O-CB 3.15Å; Q282-F286 PolarHBondContact O-N 3.04Å; L283-F286 HydrophobicContact CD1-CD1 4.16Å; L283-F286 PolarHBondContact O-N 3.42Å; F286-E289 WeakPolarHBondContact O-CB 3.19Å; F286-E289 PolarHBondContact O-N 3.45Å; F286-L290 HydrophobicContact CD1-CD1 4.47Å; F286-L290 HydrophobicContact CE1-CD1 3.69Å; F286-L290 HydrophobicContact CE1-CG 4.34Å; F286-L290 HydrophobicContact CE2-CD1 4.34Å; F286-L290 HydrophobicContact CE2-CD2 4.46Å; F286-L290 HydrophobicContact CE2-CG 4.29Å; F286-L290 HydrophobicContact CZ-CD1 3.63Å; F286-L290 HydrophobicContact CZ-CD2 4.42Å; F286-L290 HydrophobicContact CZ-CG 4.06Å; F286-L290 PolarHBondContact O-N 3.29Å; F286-L290 VanDerWaalsContact O-N 3.09Å; F286-R320 HydrophobicContact CZ-CB 3.79Å; F286-W321 HydrophobicContact CB-CE3 3.93Å; F286-W321 HydrophobicContact CB-CZ3 3.75Å; F286-W321 HydrophobicContact CD1-CB 4.27Å; F286-W321 HydrophobicContact CD1-CD2 4.24Å; F286-W321 AromaticContact CD1-CE3 3.52Å; F286-W321 HydrophobicContact CD1-CE3 3.52Å; F286-W321 HydrophobicContact CD1-CZ3 4.24Å; F286-W321 HydrophobicContact CD2-CE3 4.19Å; F286-W321 HydrophobicContact CE1-CB 3.68Å; F286-W321 HydrophobicContact CE1-CE3 4.05Å; F286-W321 HydrophobicContact CE1-CG 4.42Å; F286-W321 AromaticContact CG-CE3 3.59Å; F286-W321 HydrophobicContact CG-CE3 3.59Å; F286-W321 AromaticContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CZ-CB 4.16Å; F286-R324 HydrophobicContact CD2-CB 4.23Å; F286-R324 HydrophobicContact CD2-CG 3.91Å; F286-R324 HydrophobicContact CE2-CB 3.97Å; F286-R324 HydrophobicContact CE2-CG 4.13Å |
| 287 | L | 95.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.7 | -39 | 174 | -66.1 | -174.1 | 0 | 0 | 0 | 111.8 | L283 Q285 E289 L291 I300 F309 M311 V317 L339 M348 F360 | L283-L287 HydrophobicContact CD1-CD1 4.34Å; L283-L287 HydrophobicContact CD1-CD2 4.23Å; L283-L287 HydrophobicContact CD1-CG 4.01Å; L283-L287 HydrophobicContact CG-CD1 4.5Å; L283-L287 HydrophobicContact CG-CG 4.5Å; L283-L287 WeakPolarHBondContact O-CG 3.45Å; L283-L287 PolarHBondContact O-N 2.66Å; Q285-L287 PolarHBondContact O-N 2.92Å; L287-E289 VanDerWaalsContact C-N 3.34Å; L287-L291 VanDerWaalsContact O-CB 3.28Å; L287-L291 WeakPolarHBondContact O-CB 3.38Å; L287-L291 WeakPolarHBondContact O-CD1 3.29Å; L287-L291 VanDerWaalsContact O-CG 3.26Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 3Å; L287-I300 HydrophobicContact CB-CD1 4.38Å; L287-I300 HydrophobicContact CD2-CD1 3.78Å; L287-F309 HydrophobicContact CD1-CE2 4.14Å; L287-F309 HydrophobicContact CD1-CZ 3.93Å; L287-M311 HydrophobicContact CD1-CE 3.62Å; L287-M311 HydrophobicContact CD2-CE 3.85Å; L287-M311 HydrophobicContact CG-CE 4.42Å; L287-V317 HydrophobicContact CD2-CG1 3.69Å; L287-L339 HydrophobicContact CD1-CD2 3.66Å; L287-M348 HydrophobicContact CD1-CE 4.49Å; L287-F360 HydrophobicContact CB-CZ 4.24Å |
| 288 | L | 92.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 171 | -75.4 | 176.4 | 0 | 0 | 0 | 112.1 | L266 S270 W284 Q285 L291 S292 W302 F360 I365 | L266-L288 HydrophobicContact CB-CD2 4.37Å; L266-L288 HydrophobicContact CD2-CD2 4.32Å; S270-L288 WeakPolarHBondContact CB-O 3.38Å; W284-L288 HydrophobicContact CE3-CD1 3.85Å; W284-L288 HydrophobicContact CZ3-CD1 3.89Å; W284-L288 WeakPolarHBondContact O-CG 3.49Å; W284-L288 PolarHBondContact O-N 3.29Å; Q285-L288 WeakPolarHBondContact O-CB 3.43Å; Q285-L288 PolarHBondContact O-N 2.97Å; L288-L291 CarbonylContact O-C 3.55Å; L288-L291 PolarHBondContact O-N 3.44Å; L288-S292 PolarHBondContact O-N 2.9Å; L288-W302 HydrophobicContact CD2-CH2 3.83Å; L288-W302 HydrophobicContact CD2-CZ2 4.32Å; L288-F360 HydrophobicContact CD1-CE1 4.4Å; L288-F360 HydrophobicContact CD2-CD2 3.93Å; L288-F360 HydrophobicContact CD2-CE1 4.13Å; L288-F360 HydrophobicContact CD2-CE2 3.5Å; L288-F360 HydrophobicContact CD2-CG 4.42Å; L288-F360 HydrophobicContact CD2-CZ 3.62Å; L288-F360 HydrophobicContact CG-CE1 3.92Å; L288-F360 HydrophobicContact CG-CE2 4.05Å; L288-F360 HydrophobicContact CG-CZ 3.6Å; L288-I365 HydrophobicContact CD1-CD1 4.43Å |
| 289 | E | 90.8 | Very high | 91.3 | Very high | 36 Ų | 36 | 41.7 Ų | 41.7 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.3 | -50.9 | 176.8 | -172.7 | -166.9 | 122.6 | 0 | 0 | 111.8 | A274 I281 Q285 F286 L287 L291 S292 R324 | A274-E289 HydrophobicContact CB-CB 3.86Å; A274-E289 HydrophobicContact CB-CG 3.67Å; A274-E289 WeakPolarHBondContact CB-OE2 3.43Å; I281-E289 WeakPolarHBondContact CD1-OE2 3.3Å; Q285-E289 PolarHBondContact O-N 2.93Å; F286-E289 WeakPolarHBondContact O-CB 3.19Å; F286-E289 PolarHBondContact O-N 3.45Å; L287-E289 VanDerWaalsContact C-N 3.34Å; E289-L291 VanDerWaalsContact C-N 3.3Å; E289-L291 PolarHBondContact O-N 3.36Å; E289-S292 VanDerWaalsContact O-CB 3.24Å; E289-S292 WeakPolarHBondContact O-CB 3.34Å; E289-S292 PolarHBondContact O-N 2.82Å; E289-S292 VanDerWaalsContact O-N 3.14Å; E289-S292 PolarHBondContact O-OG 3.25Å; E289-R324 IonicContact OE1-CZ 3.63Å; E289-R324 IonicContact OE1-NH1 2.58Å; E289-R324 PolarHBondContact OE1-NH1 3.36Å; E289-R324 IonicContact OE1-NH2 3.12Å; E289-R324 PolarHBondContact OE1-NH2 3.31Å; E289-R324 IonicContact OE2-CZ 3.56Å; E289-R324 IonicContact OE2-NH1 2.69Å; E289-R324 PolarHBondContact OE2-NH1 2.95Å; E289-R324 IonicContact OE2-NH2 3.63Å |
| 290 | L | 93.4 | Very high | 92.7 | Very high | 11 Ų | 11 | 39.6 Ų | 39.6 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -40.3 | 175.5 | -67.5 | -178 | 0 | 0 | 0 | 111.7 | F286 S292 D293 N296 I300 V317 | F286-L290 HydrophobicContact CD1-CD1 4.47Å; F286-L290 HydrophobicContact CE1-CD1 3.69Å; F286-L290 HydrophobicContact CE1-CG 4.34Å; F286-L290 HydrophobicContact CE2-CD1 4.34Å; F286-L290 HydrophobicContact CE2-CD2 4.46Å; F286-L290 HydrophobicContact CE2-CG 4.29Å; F286-L290 HydrophobicContact CZ-CD1 3.63Å; F286-L290 HydrophobicContact CZ-CD2 4.42Å; F286-L290 HydrophobicContact CZ-CG 4.06Å; F286-L290 PolarHBondContact O-N 3.29Å; F286-L290 VanDerWaalsContact O-N 3.09Å; L290-S292 PolarHBondContact O-N 2.84Å; L290-D293 VanDerWaalsContact O-O 3.13Å; L290-N296 WeakPolarHBondContact O-CB 3.39Å; L290-N296 PolarHBondContact O-ND2 3.4Å; L290-I300 HydrophobicContact CB-CG2 3.59Å; L290-I300 HydrophobicContact CD1-CG2 3.99Å; L290-I300 HydrophobicContact CG-CG2 4.44Å; L290-V317 HydrophobicContact CD1-CG1 4.5Å |
| 291 | L | 93.5 | Very high | 93.2 | Very high | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.7 | -10.7 | 177.8 | -76.8 | 167.2 | 0 | 0 | 0 | 114.2 | L287 L288 E289 D293 I300 T301 W302 F309 F360 | L287-L291 VanDerWaalsContact O-CB 3.28Å; L287-L291 WeakPolarHBondContact O-CB 3.38Å; L287-L291 WeakPolarHBondContact O-CD1 3.29Å; L287-L291 VanDerWaalsContact O-CG 3.26Å; L287-L291 WeakPolarHBondContact O-CG 3.48Å; L287-L291 PolarHBondContact O-N 3Å; L288-L291 CarbonylContact O-C 3.55Å; L288-L291 PolarHBondContact O-N 3.44Å; E289-L291 VanDerWaalsContact C-N 3.3Å; E289-L291 PolarHBondContact O-N 3.36Å; L291-D293 VanDerWaalsContact C-N 3.29Å; L291-I300 HydrophobicContact CD1-CD1 4.15Å; L291-I300 HydrophobicContact CD1-CG1 4.44Å; L291-I300 HydrophobicContact CD2-CD1 4.42Å; L291-I300 HydrophobicContact CD2-CG1 3.88Å; L291-I300 HydrophobicContact CG-CD1 4.02Å; L291-I300 HydrophobicContact CG-CG1 4.02Å; L291-T301 VanDerWaalsContact CD2-C 3.44Å; L291-W302 HydrophobicContact CB-CD2 4.39Å; L291-W302 HydrophobicContact CB-CH2 4.2Å; L291-W302 HydrophobicContact CB-CZ2 3.55Å; L291-W302 HydrophobicContact CD1-CD2 4.43Å; L291-W302 HydrophobicContact CD1-CE3 4.26Å; L291-W302 HydrophobicContact CD1-CH2 3.81Å; L291-W302 HydrophobicContact CD1-CZ2 4.03Å; L291-W302 HydrophobicContact CD1-CZ3 3.94Å; L291-W302 HydrophobicContact CD2-CD2 3.97Å; L291-W302 HydrophobicContact CD2-CE3 4.4Å; L291-W302 HydrophobicContact CD2-CG 4.11Å; L291-W302 HydrophobicContact CG-CZ2 4.26Å; L291-W302 PolarHBondContact O-NE1 3.21Å; L291-F309 HydrophobicContact CD1-CB 3.81Å; L291-F309 HydrophobicContact CD1-CD1 4.06Å; L291-F309 HydrophobicContact CD1-CD2 3.86Å; L291-F309 HydrophobicContact CD1-CE2 4.41Å; L291-F309 HydrophobicContact CD1-CG 3.66Å; L291-F309 HydrophobicContact CD2-CB 4.08Å; L291-F360 HydrophobicContact CD1-CE2 3.96Å |
| 292 | S | 87.7 | Confident | 93.4 | Very high | 59 Ų | 59 | 34.7 Ų | 34.7 | 41% | 0.413 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -72.1 | -26.2 | 176.3 | 82.8 | 0 | 0 | 0 | 0 | 112.8 | S270 L288 E289 L290 | S270-S292 WeakPolarHBondContact OG-CB 3.39Å; L288-S292 PolarHBondContact O-N 2.9Å; E289-S292 VanDerWaalsContact O-CB 3.24Å; E289-S292 WeakPolarHBondContact O-CB 3.34Å; E289-S292 PolarHBondContact O-N 2.82Å; E289-S292 VanDerWaalsContact O-N 3.14Å; E289-S292 PolarHBondContact O-OG 3.25Å; L290-S292 PolarHBondContact O-N 2.84Å |
| 293 | D | 87.2 | Confident | 93.2 | Very high | 78 Ų | 78 | 33.1 Ų | 33.1 | 42% | 0.417 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -119.9 | 117 | -174.9 | 164.5 | 27.4 | 0 | 0 | 0 | 109.7 | L290 L291 A295 N296 | L290-D293 VanDerWaalsContact O-O 3.13Å; L291-D293 VanDerWaalsContact C-N 3.29Å; D293-A295 PolarHBondContact O-N 3.42Å; D293-A295 VanDerWaalsContact OD1-CB 3.28Å; D293-A295 WeakPolarHBondContact OD1-CB 3.24Å; D293-A295 PolarHBondContact OD1-N 3.11Å; D293-N296 WeakPolarHBondContact CB-ND2 3.42Å; D293-N296 WeakPolarHBondContact O-CB 3.12Å; D293-N296 PolarHBondContact O-N 3.14Å; D293-N296 VanDerWaalsContact O-N 3.1Å; D293-N296 PolarHBondContact O-ND2 2.77Å; D293-N296 VanDerWaalsContact O-ND2 3.08Å; D293-N296 PolarHBondContact OD2-ND2 3.08Å |
| 294 | S | 89.2 | Confident | 92.5 | Very high | 108 Ų | 108 | 35.3 Ų | 35.3 | 76% | 0.755 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -66.8 | -14.4 | -177.5 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | N296 A297 | S294-N296 PolarHBondContact O-N 3.21Å; S294-A297 WeakPolarHBondContact O-CB 3.25Å; S294-A297 PolarHBondContact O-N 3.41Å; S294-A297 VanDerWaalsContact O-N 3.07Å |
| 295 | A | 92.8 | Very high | 91.9 | Very high | 73 Ų | 73 | 39 Ų | 39 | 60% | 0.603 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -62.6 | -20.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D293 A297 | D293-A295 PolarHBondContact O-N 3.42Å; D293-A295 VanDerWaalsContact OD1-CB 3.28Å; D293-A295 WeakPolarHBondContact OD1-CB 3.24Å; D293-A295 PolarHBondContact OD1-N 3.11Å; A295-A297 VanDerWaalsContact C-N 3.29Å; A295-A297 PolarHBondContact O-N 2.91Å |
| 296 | N | 93.4 | Very high | 91.2 | Very high | 17 Ų | 17 | 41.9 Ų | 41.9 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -81.8 | -1.9 | 175.8 | -56.4 | -62.5 | 0 | 0 | 0 | 114 | L290 D293 S294 S298 C299 I300 R320 | L290-N296 WeakPolarHBondContact O-CB 3.39Å; L290-N296 PolarHBondContact O-ND2 3.4Å; D293-N296 WeakPolarHBondContact CB-ND2 3.42Å; D293-N296 WeakPolarHBondContact O-CB 3.12Å; D293-N296 PolarHBondContact O-N 3.14Å; D293-N296 VanDerWaalsContact O-N 3.1Å; D293-N296 PolarHBondContact O-ND2 2.77Å; D293-N296 VanDerWaalsContact O-ND2 3.08Å; D293-N296 PolarHBondContact OD2-ND2 3.08Å; S294-N296 PolarHBondContact O-N 3.21Å; N296-S298 PolarHBondContact O-N 3Å; N296-C299 PolarHBondContact O-N 2.95Å; N296-C299 PolarHBondContact O-SG 2.96Å; N296-I300 CarbonylContact C-O 3.53Å; N296-I300 HydrophobicContact CB-CG2 4.3Å; N296-I300 PolarHBondContact O-N 3.11Å; N296-I300 VanDerWaalsContact O-O 3.06Å; N296-R320 PolarHBondContact OD1-NH1 3.01Å |
| 297 | A | 94.8 | Very high | 90.8 | Very high | 40 Ų | 40 | 41.8 Ų | 41.8 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -60 | -13 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | S294 A295 I300 T312 | S294-A297 WeakPolarHBondContact O-CB 3.25Å; S294-A297 PolarHBondContact O-N 3.41Å; S294-A297 VanDerWaalsContact O-N 3.07Å; A295-A297 VanDerWaalsContact C-N 3.29Å; A295-A297 PolarHBondContact O-N 2.91Å; A297-I300 WeakPolarHBondContact CA-O 3.18Å; A297-T312 PolarHBondContact O-OG1 3.36Å |
| 298 | S | 96.9 | Very high | 90.8 | Very high | 87 Ų | 87 | 42.6 Ų | 42.6 | 61% | 0.608 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -66.3 | -35.8 | 169.6 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | N296 T312 | N296-S298 PolarHBondContact O-N 3Å; S298-T312 WeakPolarHBondContact O-CB 3.48Å; S298-T312 PolarHBondContact O-OG1 3.14Å |
| 299 | C | 97.1 | Very high | 91 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | -30.5 | 179.2 | 67.8 | 0 | 0 | 0 | 0 | 114.7 | N296 M311 T312 D313 E316 V317 | N296-C299 PolarHBondContact O-N 2.95Å; N296-C299 PolarHBondContact O-SG 2.96Å; C299-M311 CarbonylContact O-C 3.47Å; C299-M311 WeakPolarHBondContact O-CA 3.44Å; C299-T312 VanDerWaalsContact CA-OG1 3.3Å; C299-T312 WeakPolarHBondContact CA-OG1 3.41Å; C299-T312 PolarHBondContact N-OG1 2.93Å; C299-T312 PolarHBondContact O-N 3.19Å; C299-T312 PolarHBondContact O-OG1 3.42Å; C299-D313 HydrophobicContact CB-CB 3.86Å; C299-D313 PolarHBondContact O-N 3.28Å; C299-E316 HydrophobicContact CB-CB 3.92Å; C299-E316 HydrophobicContact CB-CG 3.68Å; C299-V317 HydrophobicContact CB-CG2 4.04Å; C299-V317 WeakPolarHBondContact O-CG2 3.39Å |
| 300 | I | 97.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 131.9 | 177.1 | -168.7 | 173.5 | 0 | 0 | 0 | 111.4 | L287 L290 L291 N296 A297 F309 K310 M311 V317 | L287-I300 HydrophobicContact CB-CD1 4.38Å; L287-I300 HydrophobicContact CD2-CD1 3.78Å; L290-I300 HydrophobicContact CB-CG2 3.59Å; L290-I300 HydrophobicContact CD1-CG2 3.99Å; L290-I300 HydrophobicContact CG-CG2 4.44Å; L291-I300 HydrophobicContact CD1-CD1 4.15Å; L291-I300 HydrophobicContact CD1-CG1 4.44Å; L291-I300 HydrophobicContact CD2-CD1 4.42Å; L291-I300 HydrophobicContact CD2-CG1 3.88Å; L291-I300 HydrophobicContact CG-CD1 4.02Å; L291-I300 HydrophobicContact CG-CG1 4.02Å; N296-I300 CarbonylContact C-O 3.53Å; N296-I300 HydrophobicContact CB-CG2 4.3Å; N296-I300 PolarHBondContact O-N 3.11Å; N296-I300 VanDerWaalsContact O-O 3.06Å; A297-I300 WeakPolarHBondContact CA-O 3.18Å; I300-F309 HydrophobicContact CD1-CD2 3.95Å; I300-F309 HydrophobicContact CD1-CE2 3.94Å; I300-F309 HydrophobicContact CG1-CD2 4.07Å; I300-K310 WeakPolarHBondContact CA-O 3.44Å; I300-K310 WeakPolarHBondContact CG1-O 3.34Å; I300-M311 HydrophobicContact CD1-CE 4.37Å; I300-M311 HydrophobicContact CD1-CG 4.19Å; I300-M311 HydrophobicContact CG1-CG 4.2Å; I300-V317 HydrophobicContact CB-CG2 3.79Å; I300-V317 HydrophobicContact CG2-CG2 4.27Å |
| 301 | T | 95.4 | Very high | 91.5 | Very high | 38 Ų | 38 | 43.4 Ų | 43.4 | 23% | 0.233 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 152.9 | -176.8 | -166.2 | 0 | 0 | 0 | 0 | 112.6 | L291 F309 K310 T312 | L291-T301 VanDerWaalsContact CD2-C 3.44Å; T301-F309 CarbonylContact O-C 3.45Å; T301-F309 WeakPolarHBondContact O-CA 3.47Å; T301-F309 WeakPolarHBondContact O-CB 3.35Å; T301-K310 HydrophobicContact CG2-CD 4.31Å; T301-K310 HydrophobicContact CG2-CG 3.87Å; T301-K310 PolarHBondContact N-O 3.08Å; T301-K310 PolarHBondContact O-N 3.07Å; T301-T312 HydrophobicContact CG2-CG2 4.26Å |
| 302 | W | 94.3 | Very high | 91.7 | Very high | 42 Ų | 42 | 46.1 Ų | 46.1 | 16% | 0.159 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 143 | 170.8 | -68.6 | 118.3 | 0 | 0 | 0 | 111.1 | Y263 L266 L288 L291 F309 F360 | Y263-W302 HydrophobicContact CD1-CB 3.61Å; Y263-W302 AromaticContact CD1-CD2 3.27Å; Y263-W302 HydrophobicContact CD1-CD2 3.27Å; Y263-W302 AromaticContact CD1-CE3 3.41Å; Y263-W302 HydrophobicContact CD1-CE3 3.41Å; Y263-W302 VanDerWaalsContact CD1-CE3 3.41Å; Y263-W302 AromaticContact CD1-CG 3.39Å; Y263-W302 HydrophobicContact CD1-CG 3.39Å; Y263-W302 HydrophobicContact CD1-CZ3 4.26Å; Y263-W302 HydrophobicContact CD2-CB 3.72Å; Y263-W302 HydrophobicContact CD2-CG 4.04Å; Y263-W302 HydrophobicContact CE1-CB 3.58Å; Y263-W302 AromaticContact CE1-CD2 3.81Å; Y263-W302 HydrophobicContact CE1-CD2 3.81Å; Y263-W302 AromaticContact CE1-CE3 3.6Å; Y263-W302 HydrophobicContact CE1-CE3 3.6Å; Y263-W302 AromaticContact CE1-CG 3.85Å; Y263-W302 HydrophobicContact CE1-CG 3.85Å; Y263-W302 HydrophobicContact CE2-CB 3.72Å; Y263-W302 HydrophobicContact CE2-CG 4.46Å; Y263-W302 HydrophobicContact CG-CB 3.7Å; Y263-W302 AromaticContact CG-CD1 3.87Å; Y263-W302 AromaticContact CG-CD2 3.85Å; Y263-W302 HydrophobicContact CG-CD2 3.85Å; Y263-W302 HydrophobicContact CG-CE3 4.41Å; Y263-W302 AromaticContact CG-CG 3.52Å; Y263-W302 HydrophobicContact CG-CG 3.52Å; L266-W302 HydrophobicContact CB-CH2 3.84Å; L266-W302 HydrophobicContact CB-CZ2 3.83Å; L266-W302 HydrophobicContact CD1-CH2 3.37Å; L266-W302 HydrophobicContact CD1-CZ2 4.19Å; L266-W302 HydrophobicContact CD1-CZ3 3.71Å; L266-W302 HydrophobicContact CG-CH2 4.22Å; L288-W302 HydrophobicContact CD2-CH2 3.83Å; L288-W302 HydrophobicContact CD2-CZ2 4.32Å; L291-W302 HydrophobicContact CB-CD2 4.39Å; L291-W302 HydrophobicContact CB-CH2 4.2Å; L291-W302 HydrophobicContact CB-CZ2 3.55Å; L291-W302 HydrophobicContact CD1-CD2 4.43Å; L291-W302 HydrophobicContact CD1-CE3 4.26Å; L291-W302 HydrophobicContact CD1-CH2 3.81Å; L291-W302 HydrophobicContact CD1-CZ2 4.03Å; L291-W302 HydrophobicContact CD1-CZ3 3.94Å; L291-W302 HydrophobicContact CD2-CD2 3.97Å; L291-W302 HydrophobicContact CD2-CE3 4.4Å; L291-W302 HydrophobicContact CD2-CG 4.11Å; L291-W302 HydrophobicContact CG-CZ2 4.26Å; L291-W302 PolarHBondContact O-NE1 3.21Å; W302-F309 HydrophobicContact CE3-CB 3.86Å; W302-F309 HydrophobicContact CZ3-CB 4.17Å; W302-F309 HydrophobicContact CZ3-CD1 4.44Å; W302-F360 HydrophobicContact CH2-CD2 4.07Å; W302-F360 HydrophobicContact CH2-CE2 4.03Å; W302-F360 HydrophobicContact CZ3-CD2 4.01Å; W302-F360 HydrophobicContact CZ3-CE2 4.18Å |
| 303 | E | 88.3 | Confident | 92.2 | Very high | 52 Ų | 52 | 46.6 Ų | 46.6 | 24% | 0.243 | 29% | 0.29 | C | S | . | . | trans | -151.9 | 145.8 | 177.4 | -164.5 | -167.6 | 104.2 | 0 | 0 | 111.6 | Y263 T305 E308 K310 K354 | Y263-E303 PolarHBondContact OH-N 2.97Å; Y263-E303 PolarHBondContact OH-O 3.37Å; E303-T305 PolarHBondContact O-N 2.71Å; E303-E308 PolarHBondContact N-O 3.42Å; E303-E308 CarbonylContact O-C 3.4Å; E303-E308 WeakPolarHBondContact O-CB 3.37Å; E303-E308 VanDerWaalsContact O-CG 3.23Å; E303-E308 WeakPolarHBondContact O-CG 3.32Å; E303-K310 HydrophobicContact CB-CG 4.36Å; E303-K310 WeakPolarHBondContact OE2-CD 3.43Å; E303-K310 WeakPolarHBondContact OE2-CE 3.48Å; E303-K310 IonicContact OE2-NZ 3.27Å; E303-K310 PolarHBondContact OE2-NZ 3.1Å; E303-K354 WeakPolarHBondContact OE1-CD 3.48Å; E303-K354 VanDerWaalsContact OE1-CE 3.28Å; E303-K354 WeakPolarHBondContact OE1-CE 3.41Å; E303-K354 IonicContact OE1-NZ 3.72Å; E303-K354 PolarHBondContact OE1-NZ 3.22Å | ||
| 304 | G | 81.1 | Confident | 92.7 | Very high | 50 Ų | 50 | 43.4 Ų | 43.4 | 52% | 0.515 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 81.1 | -113.1 | 171 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y263 | Y263-G304 PolarHBondContact OH-N 3.03Å; Y263-G304 PolarHBondContact OH-O 3.24Å |
| 305 | T | 80.1 | Confident | 93.1 | Very high | 79 Ų | 79 | 42.9 Ų | 42.9 | 49% | 0.485 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -146.4 | 150.4 | -174.7 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | E303 G307 E308 K359 | E303-T305 PolarHBondContact O-N 2.71Å; T305-G307 PolarHBondContact O-N 3.18Å; T305-E308 WeakPolarHBondContact O-CB 3.33Å; T305-E308 PolarHBondContact O-N 2.94Å; T305-K359 WeakPolarHBondContact O-CE 3.39Å; T305-K359 PolarHBondContact O-NZ 2.92Å; T305-K359 PolarHBondContact OG1-NZ 3.04Å |
| 306 | N | 78.1 | Confident | 93.4 | Very high | 94 Ų | 94 | 41.4 Ų | 41.4 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.5 | 66.1 | 163.8 | -67.6 | 49.8 | 0 | 0 | 0 | 114.8 | P262 E308 K359 F362 | P262-N306 HydrophobicContact CB-CB 4.43Å; P262-N306 VanDerWaalsContact CG-N 3.33Å; N306-E308 VanDerWaalsContact C-N 3.31Å; N306-E308 PolarHBondContact O-N 3.47Å; N306-K359 WeakPolarHBondContact O-CE 3.47Å; N306-F362 HydrophobicContact CB-CE2 4.4Å |
| 307 | G | 88.1 | Confident | 93.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 13.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L266 T305 K359 F360 | L266-G307 VanDerWaalsContact CD1-CA 3.47Å; T305-G307 PolarHBondContact O-N 3.18Å; G307-K359 WeakPolarHBondContact O-CA 3.38Å; G307-F360 PolarHBondContact O-N 2.87Å |
| 308 | E | 95 | Very high | 93.8 | Very high | 17 Ų | 17 | 38.8 Ų | 38.8 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 137.8 | 170.4 | -177.6 | 175.1 | 158 | 0 | 0 | 111.6 | E303 T305 N306 V351 K354 Y358 K359 | E303-E308 PolarHBondContact N-O 3.42Å; E303-E308 CarbonylContact O-C 3.4Å; E303-E308 WeakPolarHBondContact O-CB 3.37Å; E303-E308 VanDerWaalsContact O-CG 3.23Å; E303-E308 WeakPolarHBondContact O-CG 3.32Å; T305-E308 WeakPolarHBondContact O-CB 3.33Å; T305-E308 PolarHBondContact O-N 2.94Å; N306-E308 VanDerWaalsContact C-N 3.31Å; N306-E308 PolarHBondContact O-N 3.47Å; E308-V351 HydrophobicContact CG-CG2 3.86Å; E308-K354 IonicContact OE1-NZ 3.7Å; E308-K354 PolarHBondContact OE1-NZ 2.97Å; E308-Y358 CarbonylContact C-O 3.58Å; E308-Y358 WeakPolarHBondContact CA-O 3.42Å; E308-K359 HydrophobicContact CB-CB 4.27Å; E308-K359 HydrophobicContact CB-CD 4.07Å; E308-K359 HydrophobicContact CB-CG 4Å; E308-K359 IonicContact OE2-NZ 2.74Å; E308-K359 PolarHBondContact OE2-NZ 3.09Å |
| 309 | F | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 162.8 | -176.4 | 71.5 | -87.7 | 0 | 0 | 0 | 111.2 | L287 L291 I300 T301 W302 M311 A357 Y358 F360 | L287-F309 HydrophobicContact CD1-CE2 4.14Å; L287-F309 HydrophobicContact CD1-CZ 3.93Å; L291-F309 HydrophobicContact CD1-CB 3.81Å; L291-F309 HydrophobicContact CD1-CD1 4.06Å; L291-F309 HydrophobicContact CD1-CD2 3.86Å; L291-F309 HydrophobicContact CD1-CE2 4.41Å; L291-F309 HydrophobicContact CD1-CG 3.66Å; L291-F309 HydrophobicContact CD2-CB 4.08Å; I300-F309 HydrophobicContact CD1-CD2 3.95Å; I300-F309 HydrophobicContact CD1-CE2 3.94Å; I300-F309 HydrophobicContact CG1-CD2 4.07Å; T301-F309 CarbonylContact O-C 3.45Å; T301-F309 WeakPolarHBondContact O-CA 3.47Å; T301-F309 WeakPolarHBondContact O-CB 3.35Å; W302-F309 HydrophobicContact CE3-CB 3.86Å; W302-F309 HydrophobicContact CZ3-CB 4.17Å; W302-F309 HydrophobicContact CZ3-CD1 4.44Å; F309-M311 HydrophobicContact CE2-CE 4.02Å; F309-A357 CarbonylContact O-C 3.6Å; F309-A357 VanDerWaalsContact O-CA 3.27Å; F309-A357 WeakPolarHBondContact O-CA 3.45Å; F309-Y358 WeakPolarHBondContact CD1-O 3.25Å; F309-Y358 HydrophobicContact CE2-CD2 4.39Å; F309-Y358 VanDerWaalsContact CZ-CB 3.5Å; F309-Y358 HydrophobicContact CZ-CD2 4.47Å; F309-Y358 HydrophobicContact CZ-CG 4.26Å; F309-Y358 PolarHBondContact N-O 3.33Å; F309-Y358 PolarHBondContact O-N 3.07Å; F309-Y358 VanDerWaalsContact O-O 3.11Å; F309-F360 AromaticContact CD1-CD2 3.73Å; F309-F360 HydrophobicContact CD1-CD2 3.73Å; F309-F360 AromaticContact CD1-CE2 3.51Å; F309-F360 HydrophobicContact CD1-CE2 3.51Å; F309-F360 HydrophobicContact CD1-CZ 4.43Å; F309-F360 AromaticContact CE1-CD2 3.63Å; F309-F360 HydrophobicContact CE1-CD2 3.63Å; F309-F360 AromaticContact CE1-CE2 3.25Å; F309-F360 HydrophobicContact CE1-CE2 3.25Å; F309-F360 HydrophobicContact CE1-CG 4.4Å; F309-F360 AromaticContact CE1-CZ 3.76Å; F309-F360 HydrophobicContact CE1-CZ 3.76Å; F309-F360 HydrophobicContact CG-CE2 4.48Å; F309-F360 HydrophobicContact CZ-CE2 4.06Å; F309-F360 HydrophobicContact CZ-CZ 4.21Å |
| 310 | K | 97 | Very high | 93.8 | Very high | 62 Ų | 62 | 42.9 Ų | 42.9 | 27% | 0.27 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 153 | 171.5 | 60.8 | 164.3 | 168.1 | -139.3 | 0 | 112 | I300 T301 E303 T312 Y356 A357 | I300-K310 WeakPolarHBondContact CA-O 3.44Å; I300-K310 WeakPolarHBondContact CG1-O 3.34Å; T301-K310 HydrophobicContact CG2-CD 4.31Å; T301-K310 HydrophobicContact CG2-CG 3.87Å; T301-K310 PolarHBondContact N-O 3.08Å; T301-K310 PolarHBondContact O-N 3.07Å; E303-K310 HydrophobicContact CB-CG 4.36Å; E303-K310 WeakPolarHBondContact OE2-CD 3.43Å; E303-K310 WeakPolarHBondContact OE2-CE 3.48Å; E303-K310 IonicContact OE2-NZ 3.27Å; E303-K310 PolarHBondContact OE2-NZ 3.1Å; K310-T312 HydrophobicContact CD-CG2 3.79Å; K310-T312 HydrophobicContact CG-CG2 4.33Å; K310-Y356 WeakPolarHBondContact CA-O 3.45Å; K310-A357 HydrophobicContact CB-CB 4.35Å |
| 311 | M | 97.9 | Very high | 93.8 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 111 | 161.4 | -54.3 | 173.3 | -176.4 | 0 | 0 | 107.9 | L287 C299 I300 F309 P314 V317 Y332 L335 L339 Y356 | L287-M311 HydrophobicContact CD1-CE 3.62Å; L287-M311 HydrophobicContact CD2-CE 3.85Å; L287-M311 HydrophobicContact CG-CE 4.42Å; C299-M311 CarbonylContact O-C 3.47Å; C299-M311 WeakPolarHBondContact O-CA 3.44Å; I300-M311 HydrophobicContact CD1-CE 4.37Å; I300-M311 HydrophobicContact CD1-CG 4.19Å; I300-M311 HydrophobicContact CG1-CG 4.2Å; F309-M311 HydrophobicContact CE2-CE 4.02Å; M311-P314 HydrophobicContact CB-CB 4.12Å; M311-V317 HydrophobicContact CB-CG2 4.35Å; M311-V317 HydrophobicContact CE-CG1 4.02Å; M311-V317 HydrophobicContact CG-CG1 4.42Å; M311-V317 HydrophobicContact CG-CG2 4.22Å; M311-V317 HydrophobicContact SD-CB 4.25Å; M311-V317 HydrophobicContact SD-CG1 3.88Å; M311-Y332 HydrophobicContact SD-CE2 4.21Å; M311-L335 HydrophobicContact CE-CD2 3.94Å; M311-L335 HydrophobicContact SD-CD2 4.25Å; M311-L339 HydrophobicContact CE-CD1 3.93Å; M311-Y356 PolarHBondContact N-O 2.72Å; M311-Y356 VanDerWaalsContact O-CB 3.32Å; M311-Y356 WeakPolarHBondContact O-CB 3.4Å |
| 312 | T | 97.8 | Very high | 93.9 | Very high | 66 Ų | 66 | 42.1 Ų | 42.1 | 41% | 0.405 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -74.3 | -36.9 | 173.8 | 40 | 0 | 0 | 0 | 0 | 111.2 | A297 S298 C299 T301 K310 | A297-T312 PolarHBondContact O-OG1 3.36Å; S298-T312 WeakPolarHBondContact O-CB 3.48Å; S298-T312 PolarHBondContact O-OG1 3.14Å; C299-T312 VanDerWaalsContact CA-OG1 3.3Å; C299-T312 WeakPolarHBondContact CA-OG1 3.41Å; C299-T312 PolarHBondContact N-OG1 2.93Å; C299-T312 PolarHBondContact O-N 3.19Å; C299-T312 PolarHBondContact O-OG1 3.42Å; T301-T312 HydrophobicContact CG2-CG2 4.26Å; K310-T312 HydrophobicContact CD-CG2 3.79Å; K310-T312 HydrophobicContact CG-CG2 4.33Å |
| 313 | D | 98.1 | Very high | 93.9 | Very high | 68 Ų | 68 | 46 Ų | 46 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -121 | 92.4 | 166.6 | -171.9 | -24.4 | 0 | 0 | 0 | 108.9 | C299 D315 E316 V317 | C299-D313 HydrophobicContact CB-CB 3.86Å; C299-D313 PolarHBondContact O-N 3.28Å; D313-D315 PolarHBondContact O-N 2.67Å; D313-D315 PolarHBondContact OD1-N 3.18Å; D313-E316 HydrophobicContact CB-CB 4.06Å; D313-E316 PolarHBondContact OD1-N 3.42Å; D313-V317 WeakPolarHBondContact O-CG2 3.47Å; D313-V317 PolarHBondContact O-N 3.08Å |
| 314 | P | 97.9 | Very high | 94.2 | Very high | 12 Ų | 12 | 46.4 Ų | 46.4 | 8% | 0.078 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.6 | -19.7 | -179.4 | 28.1 | -35.1 | 0 | 0 | 0 | 113.7 | M311 A318 Y332 Y356 | M311-P314 HydrophobicContact CB-CB 4.12Å; P314-A318 WeakPolarHBondContact O-CB 3.26Å; P314-A318 PolarHBondContact O-N 3.19Å; P314-A318 VanDerWaalsContact O-N 3.15Å; P314-Y332 HydrophobicContact CB-CD2 3.47Å; P314-Y332 VanDerWaalsContact CB-CD2 3.47Å; P314-Y332 HydrophobicContact CB-CE2 3.92Å; P314-Y332 HydrophobicContact CB-CG 3.88Å; P314-Y356 HydrophobicContact CB-CD1 3.87Å; P314-Y356 HydrophobicContact CB-CE1 4.15Å; P314-Y356 HydrophobicContact CB-CG 4.23Å; P314-Y356 HydrophobicContact CG-CD1 3.9Å; P314-Y356 HydrophobicContact CG-CD2 4.19Å; P314-Y356 HydrophobicContact CG-CE1 3.81Å; P314-Y356 HydrophobicContact CG-CE2 4.12Å; P314-Y356 HydrophobicContact CG-CG 4.1Å |
| 315 | D | 98.3 | Very high | 94.7 | Very high | 97 Ų | 97 | 46.4 Ų | 46.4 | 52% | 0.519 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -88.9 | -35.4 | -177.9 | -72.4 | -52.4 | 0 | 0 | 0 | 111.4 | D313 A318 R319 Y332 | D313-D315 PolarHBondContact O-N 2.67Å; D313-D315 PolarHBondContact OD1-N 3.18Å; D315-A318 CarbonylContact O-C 3.46Å; D315-A318 PolarHBondContact O-N 3.33Å; D315-R319 WeakPolarHBondContact O-CB 3.41Å; D315-R319 PolarHBondContact O-N 3.33Å; D315-Y332 WeakPolarHBondContact OD1-CB 3.3Å |
| 316 | E | 98.2 | Very high | 95.3 | Very high | 42 Ų | 42 | 47.9 Ų | 47.9 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 167.2 | 172.7 | 59 | -172.5 | 0 | 0 | 111.6 | C299 D313 A318 R319 R320 | C299-E316 HydrophobicContact CB-CB 3.92Å; C299-E316 HydrophobicContact CB-CG 3.68Å; D313-E316 HydrophobicContact CB-CB 4.06Å; D313-E316 PolarHBondContact OD1-N 3.42Å; E316-A318 VanDerWaalsContact C-N 3.29Å; E316-A318 PolarHBondContact O-N 2.9Å; E316-R319 PolarHBondContact O-N 3.3Å; E316-R319 IonicContact OE1-CZ 3.79Å; E316-R319 IonicContact OE1-NE 2.67Å; E316-R319 IonicContact OE1-NH2 3.21Å; E316-R319 PolarHBondContact OE1-NH2 3.09Å; E316-R319 IonicContact OE2-CZ 2.72Å; E316-R319 IonicContact OE2-NE 3.42Å; E316-R319 PolarHBondContact OE2-NE 2.93Å; E316-R319 IonicContact OE2-NH2 3.98Å; E316-R319 PolarHBondContact OE2-NH2 3.31Å; E316-R320 WeakPolarHBondContact O-CG 3.46Å; E316-R320 PolarHBondContact O-N 3.11Å; E316-R320 WeakPolarHBondContact OE1-CG 3.5Å; E316-R320 IonicContact OE1-CZ 2.72Å; E316-R320 IonicContact OE1-NE 3.54Å; E316-R320 PolarHBondContact OE1-NE 3.19Å; E316-R320 IonicContact OE1-NH2 2.86Å; E316-R320 PolarHBondContact OE1-NH2 3.39Å |
| 317 | V | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | 172.1 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | L287 L290 C299 I300 M311 D313 W321 L335 | L287-V317 HydrophobicContact CD2-CG1 3.69Å; L290-V317 HydrophobicContact CD1-CG1 4.5Å; C299-V317 HydrophobicContact CB-CG2 4.04Å; C299-V317 WeakPolarHBondContact O-CG2 3.39Å; I300-V317 HydrophobicContact CB-CG2 3.79Å; I300-V317 HydrophobicContact CG2-CG2 4.27Å; M311-V317 HydrophobicContact CB-CG2 4.35Å; M311-V317 HydrophobicContact CE-CG1 4.02Å; M311-V317 HydrophobicContact CG-CG1 4.42Å; M311-V317 HydrophobicContact CG-CG2 4.22Å; M311-V317 HydrophobicContact SD-CB 4.25Å; M311-V317 HydrophobicContact SD-CG1 3.88Å; D313-V317 WeakPolarHBondContact O-CG2 3.47Å; D313-V317 PolarHBondContact O-N 3.08Å; V317-W321 WeakPolarHBondContact O-CB 3.34Å; V317-W321 PolarHBondContact O-N 3.45Å; V317-L335 HydrophobicContact CG1-CD1 4.06Å |
| 318 | A | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -69 | -36.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P314 D315 E316 W321 G322 M330 N331 L335 | P314-A318 WeakPolarHBondContact O-CB 3.26Å; P314-A318 PolarHBondContact O-N 3.19Å; P314-A318 VanDerWaalsContact O-N 3.15Å; D315-A318 CarbonylContact O-C 3.46Å; D315-A318 PolarHBondContact O-N 3.33Å; E316-A318 VanDerWaalsContact C-N 3.29Å; E316-A318 PolarHBondContact O-N 2.9Å; A318-W321 PolarHBondContact O-N 2.85Å; A318-G322 PolarHBondContact O-N 2.91Å; A318-M330 HydrophobicContact CB-CG 4.49Å; A318-M330 WeakPolarHBondContact O-CG 3.28Å; A318-N331 VanDerWaalsContact CB-C 3.42Å; A318-L335 HydrophobicContact CB-CB 4.39Å; A318-L335 HydrophobicContact CB-CD1 4.12Å |
| 319 | R | 98.1 | Very high | 96.2 | Very high | 109 Ų | 109 | 59.9 Ų | 59.9 | 41% | 0.411 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.1 | -50.9 | 174.6 | -168.6 | -161 | 63.4 | 68.1 | 7.4 | 110.7 | D315 E316 W321 G322 E323 | D315-R319 WeakPolarHBondContact O-CB 3.41Å; D315-R319 PolarHBondContact O-N 3.33Å; E316-R319 PolarHBondContact O-N 3.3Å; E316-R319 IonicContact OE1-CZ 3.79Å; E316-R319 IonicContact OE1-NE 2.67Å; E316-R319 IonicContact OE1-NH2 3.21Å; E316-R319 PolarHBondContact OE1-NH2 3.09Å; E316-R319 IonicContact OE2-CZ 2.72Å; E316-R319 IonicContact OE2-NE 3.42Å; E316-R319 PolarHBondContact OE2-NE 2.93Å; E316-R319 IonicContact OE2-NH2 3.98Å; E316-R319 PolarHBondContact OE2-NH2 3.31Å; R319-W321 VanDerWaalsContact C-N 3.31Å; R319-W321 PolarHBondContact O-N 3.41Å; R319-G322 WeakPolarHBondContact O-CA 3.14Å; R319-G322 PolarHBondContact O-N 3.01Å; R319-E323 IonicContact CZ-OE2 3.5Å; R319-E323 VanDerWaalsContact NH1-CD 3.32Å; R319-E323 IonicContact NH1-OE1 2.68Å; R319-E323 PolarHBondContact NH1-OE1 3Å; R319-E323 IonicContact NH1-OE2 3.43Å; R319-E323 PolarHBondContact NH1-OE2 3.33Å; R319-E323 IonicContact NH2-OE2 2.75Å; R319-E323 PolarHBondContact NH2-OE2 3.23Å; R319-E323 WeakPolarHBondContact O-CB 3.47Å; R319-E323 PolarHBondContact O-N 3.08Å |
| 320 | R | 97.1 | Very high | 96.3 | Very high | 65 Ų | 65 | 61.5 Ų | 61.5 | 25% | 0.245 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.4 | -36.1 | 176.7 | -68.7 | -176.7 | -176.4 | -158.6 | 5.8 | 112.7 | F286 N296 E316 R324 | F286-R320 HydrophobicContact CZ-CB 3.79Å; N296-R320 PolarHBondContact OD1-NH1 3.01Å; E316-R320 WeakPolarHBondContact O-CG 3.46Å; E316-R320 PolarHBondContact O-N 3.11Å; E316-R320 WeakPolarHBondContact OE1-CG 3.5Å; E316-R320 IonicContact OE1-CZ 2.72Å; E316-R320 IonicContact OE1-NE 3.54Å; E316-R320 PolarHBondContact OE1-NE 3.19Å; E316-R320 IonicContact OE1-NH2 2.86Å; E316-R320 PolarHBondContact OE1-NH2 3.39Å; R320-R324 VanDerWaalsContact O-CB 3.28Å; R320-R324 WeakPolarHBondContact O-CB 3.06Å; R320-R324 PolarHBondContact O-N 3.06Å |
| 321 | W | 96.6 | Very high | 96.3 | Very high | 21 Ų | 21 | 61.1 Ų | 61.1 | 8% | 0.08 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.7 | -36.9 | 172.7 | 177.8 | -124.3 | 0 | 0 | 0 | 112.6 | I281 L283 F286 V317 A318 R319 K325 L335 | I281-W321 HydrophobicContact CG2-CZ3 4.3Å; I281-W321 WeakPolarHBondContact O-CH2 3.23Å; L283-W321 HydrophobicContact CB-CH2 3.85Å; L283-W321 HydrophobicContact CB-CZ2 3.69Å; L283-W321 HydrophobicContact CB-CZ3 4.39Å; L283-W321 HydrophobicContact CD1-CD2 3.75Å; L283-W321 HydrophobicContact CD1-CE3 4.11Å; L283-W321 HydrophobicContact CD1-CG 3.99Å; L283-W321 HydrophobicContact CD1-CZ2 4.32Å; L283-W321 HydrophobicContact CG-CZ2 4.49Å; F286-W321 HydrophobicContact CB-CE3 3.93Å; F286-W321 HydrophobicContact CB-CZ3 3.75Å; F286-W321 HydrophobicContact CD1-CB 4.27Å; F286-W321 HydrophobicContact CD1-CD2 4.24Å; F286-W321 AromaticContact CD1-CE3 3.52Å; F286-W321 HydrophobicContact CD1-CE3 3.52Å; F286-W321 HydrophobicContact CD1-CZ3 4.24Å; F286-W321 HydrophobicContact CD2-CE3 4.19Å; F286-W321 HydrophobicContact CE1-CB 3.68Å; F286-W321 HydrophobicContact CE1-CE3 4.05Å; F286-W321 HydrophobicContact CE1-CG 4.42Å; F286-W321 AromaticContact CG-CE3 3.59Å; F286-W321 HydrophobicContact CG-CE3 3.59Å; F286-W321 AromaticContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CG-CZ3 3.95Å; F286-W321 HydrophobicContact CZ-CB 4.16Å; V317-W321 WeakPolarHBondContact O-CB 3.34Å; V317-W321 PolarHBondContact O-N 3.45Å; A318-W321 PolarHBondContact O-N 2.85Å; R319-W321 VanDerWaalsContact C-N 3.31Å; R319-W321 PolarHBondContact O-N 3.41Å; W321-K325 HydrophobicContact CD2-CG 3.93Å; W321-K325 HydrophobicContact CE3-CD 4.27Å; W321-K325 HydrophobicContact CE3-CG 3.75Å; W321-K325 HydrophobicContact CH2-CD 3.54Å; W321-K325 HydrophobicContact CH2-CG 3.57Å; W321-K325 HydrophobicContact CZ2-CD 4.14Å; W321-K325 HydrophobicContact CZ2-CG 3.72Å; W321-K325 HydrophobicContact CZ3-CD 3.62Å; W321-K325 HydrophobicContact CZ3-CG 3.58Å; W321-K325 WeakPolarHBondContact O-CG 3.31Å; W321-K325 PolarHBondContact O-N 3.15Å; W321-L335 HydrophobicContact CB-CD1 3.84Å; W321-L335 HydrophobicContact CG-CD1 4.05Å |
| 322 | G | 96.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 62.8 Ų | 62.8 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.2 | -51.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A318 R319 K325 S326 K327 M330 | A318-G322 PolarHBondContact O-N 2.91Å; R319-G322 WeakPolarHBondContact O-CA 3.14Å; R319-G322 PolarHBondContact O-N 3.01Å; G322-K325 CarbonylContact O-C 3.42Å; G322-K325 PolarHBondContact O-N 3.21Å; G322-S326 WeakPolarHBondContact O-CA 3.32Å; G322-S326 PolarHBondContact O-N 3.26Å; G322-K327 WeakPolarHBondContact CA-O 3.47Å; G322-K327 PolarHBondContact O-N 2.77Å; G322-M330 VanDerWaalsContact CA-CB 3.45Å |
| 323 | E | 95.2 | Very high | 96.3 | Very high | 125 Ų | 125 | 65 Ų | 65 | 58% | 0.584 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -54.6 | -52.9 | 174.4 | -179.4 | 165.7 | -126 | 0 | 0 | 111.8 | R319 K325 S326 | R319-E323 IonicContact CZ-OE2 3.5Å; R319-E323 VanDerWaalsContact NH1-CD 3.32Å; R319-E323 IonicContact NH1-OE1 2.68Å; R319-E323 PolarHBondContact NH1-OE1 3Å; R319-E323 IonicContact NH1-OE2 3.43Å; R319-E323 PolarHBondContact NH1-OE2 3.33Å; R319-E323 IonicContact NH2-OE2 2.75Å; R319-E323 PolarHBondContact NH2-OE2 3.23Å; R319-E323 WeakPolarHBondContact O-CB 3.47Å; R319-E323 PolarHBondContact O-N 3.08Å; E323-K325 PolarHBondContact O-N 2.99Å; E323-S326 PolarHBondContact O-N 2.96Å |
| 324 | R | 93.7 | Very high | 96.3 | Very high | 60 Ų | 60 | 67 Ų | 67 | 23% | 0.226 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.2 | -21.8 | 178.9 | -175.9 | 57.1 | 65.1 | 83 | 7.2 | 114.5 | I281 F286 E289 R320 | I281-R324 HydrophobicContact CG2-CG 3.69Å; F286-R324 HydrophobicContact CD2-CB 4.23Å; F286-R324 HydrophobicContact CD2-CG 3.91Å; F286-R324 HydrophobicContact CE2-CB 3.97Å; F286-R324 HydrophobicContact CE2-CG 4.13Å; E289-R324 IonicContact OE1-CZ 3.63Å; E289-R324 IonicContact OE1-NH1 2.58Å; E289-R324 PolarHBondContact OE1-NH1 3.36Å; E289-R324 IonicContact OE1-NH2 3.12Å; E289-R324 PolarHBondContact OE1-NH2 3.31Å; E289-R324 IonicContact OE2-CZ 3.56Å; E289-R324 IonicContact OE2-NH1 2.69Å; E289-R324 PolarHBondContact OE2-NH1 2.95Å; E289-R324 IonicContact OE2-NH2 3.63Å; R320-R324 VanDerWaalsContact O-CB 3.28Å; R320-R324 WeakPolarHBondContact O-CB 3.06Å; R320-R324 PolarHBondContact O-N 3.06Å |
| 325 | K | 92.1 | Very high | 96.4 | Very high | 50 Ų | 50 | 66.5 Ų | 66.5 | 22% | 0.217 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 12.1 | -177.4 | -54.4 | -63.3 | -75.5 | -172.1 | 0 | 113.2 | G279 Q280 I281 W321 G322 E323 K327 | G279-K325 WeakPolarHBondContact O-CE 3.22Å; G279-K325 PolarHBondContact O-NZ 3.46Å; Q280-K325 PolarHBondContact O-NZ 2.8Å; Q280-K325 VanDerWaalsContact O-NZ 3.14Å; I281-K325 HydrophobicContact CG2-CD 4.44Å; I281-K325 PolarHBondContact O-NZ 3.16Å; W321-K325 HydrophobicContact CD2-CG 3.93Å; W321-K325 HydrophobicContact CE3-CD 4.27Å; W321-K325 HydrophobicContact CE3-CG 3.75Å; W321-K325 HydrophobicContact CH2-CD 3.54Å; W321-K325 HydrophobicContact CH2-CG 3.57Å; W321-K325 HydrophobicContact CZ2-CD 4.14Å; W321-K325 HydrophobicContact CZ2-CG 3.72Å; W321-K325 HydrophobicContact CZ3-CD 3.62Å; W321-K325 HydrophobicContact CZ3-CG 3.58Å; W321-K325 WeakPolarHBondContact O-CG 3.31Å; W321-K325 PolarHBondContact O-N 3.15Å; G322-K325 CarbonylContact O-C 3.42Å; G322-K325 PolarHBondContact O-N 3.21Å; E323-K325 PolarHBondContact O-N 2.99Å; K325-K327 VanDerWaalsContact C-N 3.26Å; K325-K327 HydrophobicContact CB-CD 4.19Å; K325-K327 HydrophobicContact CB-CG 4.42Å; K325-K327 PolarHBondContact O-N 3.44Å |
| 326 | S | 93.2 | Very high | 96.3 | Very high | 110 Ų | 110 | 62 Ų | 62 | 77% | 0.769 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 41.7 | -175.3 | -53.8 | 0 | 0 | 0 | 0 | 114.1 | G322 E323 P328 | G322-S326 WeakPolarHBondContact O-CA 3.32Å; G322-S326 PolarHBondContact O-N 3.26Å; E323-S326 PolarHBondContact O-N 2.96Å; S326-P328 WeakPolarHBondContact O-CD 3.49Å |
| 327 | K | 94.2 | Very high | 96.3 | Very high | 112 Ų | 112 | 65.4 Ų | 65.4 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | trans | -112.8 | 88 | -179.6 | -74.9 | 174.4 | -175.3 | -174.6 | 0 | 110 | G322 K325 N329 M330 | G322-K327 WeakPolarHBondContact CA-O 3.47Å; G322-K327 PolarHBondContact O-N 2.77Å; K325-K327 VanDerWaalsContact C-N 3.26Å; K325-K327 HydrophobicContact CB-CD 4.19Å; K325-K327 HydrophobicContact CB-CG 4.42Å; K325-K327 PolarHBondContact O-N 3.44Å; K327-N329 PolarHBondContact O-N 2.91Å; K327-M330 HydrophobicContact CB-CB 4.5Å; K327-M330 HydrophobicContact CB-CE 3.97Å; K327-M330 HydrophobicContact CD-CE 3.69Å; K327-M330 HydrophobicContact CG-CE 4.45Å; K327-M330 WeakPolarHBondContact O-CB 3.37Å; K327-M330 PolarHBondContact O-N 2.96Å; K327-M330 VanDerWaalsContact O-N 3.15Å | ||
| 328 | P | 90.4 | Very high | 96.2 | Very high | 121 Ų | 121 | 66.8 Ų | 66.8 | 79% | 0.786 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -29.3 | -173.4 | 24.5 | -34.6 | 0 | 0 | 0 | 113.3 | S326 M330 | S326-P328 WeakPolarHBondContact O-CD 3.49Å; P328-M330 VanDerWaalsContact C-N 3.29Å; P328-M330 PolarHBondContact O-N 3.49Å |
| 329 | N | 95.3 | Very high | 96.2 | Very high | 130 Ų | 130 | 66.8 Ų | 66.8 | 70% | 0.695 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 31.8 | 178 | -64.5 | -36.3 | 0 | 0 | 0 | 112.9 | K327 K334 | K327-N329 PolarHBondContact O-N 2.91Å; N329-K334 WeakPolarHBondContact O-CD 3.49Å; N329-K334 PolarHBondContact O-NZ 2.7Å |
| 330 | M | 98 | Very high | 96.2 | Very high | 34 Ų | 34 | 67 Ų | 67 | 17% | 0.167 | 33% | 0.33 | C | S | . | . | trans | -77.7 | 142.5 | 172.7 | -169.1 | 60.8 | 68.7 | 0 | 0 | 110.6 | A318 G322 K327 P328 K334 | A318-M330 HydrophobicContact CB-CG 4.49Å; A318-M330 WeakPolarHBondContact O-CG 3.28Å; G322-M330 VanDerWaalsContact CA-CB 3.45Å; K327-M330 HydrophobicContact CB-CB 4.5Å; K327-M330 HydrophobicContact CB-CE 3.97Å; K327-M330 HydrophobicContact CD-CE 3.69Å; K327-M330 HydrophobicContact CG-CE 4.45Å; K327-M330 WeakPolarHBondContact O-CB 3.37Å; K327-M330 PolarHBondContact O-N 2.96Å; K327-M330 VanDerWaalsContact O-N 3.15Å; P328-M330 VanDerWaalsContact C-N 3.29Å; P328-M330 PolarHBondContact O-N 3.49Å; M330-K334 HydrophobicContact SD-CB 3.87Å | ||
| 331 | N | 98.2 | Very high | 96.1 | Very high | 53 Ų | 53 | 70.4 Ų | 70.4 | 28% | 0.283 | 34% | 0.344 | S | S | . | . | trans | -152.2 | 170.9 | 175.9 | 74.2 | -22.4 | 0 | 0 | 0 | 110.2 | A318 D333 K334 L335 | A318-N331 VanDerWaalsContact CB-C 3.42Å; N331-D333 VanDerWaalsContact C-N 3.28Å; N331-D333 PolarHBondContact ND2-OD2 2.95Å; N331-D333 VanDerWaalsContact ND2-OD2 3.08Å; N331-D333 PolarHBondContact O-N 3.47Å; N331-K334 PolarHBondContact O-N 2.85Å; N331-K334 WeakPolarHBondContact OD1-CB 3.39Å; N331-K334 WeakPolarHBondContact OD1-CD 3.32Å; N331-K334 VanDerWaalsContact OD1-CG 3.22Å; N331-K334 WeakPolarHBondContact OD1-CG 3.19Å; N331-K334 PolarHBondContact OD1-N 3.21Å; N331-K334 VanDerWaalsContact OD1-N 3.12Å; N331-L335 PolarHBondContact O-N 3.09Å | ||
| 332 | Y | 98.2 | Very high | 96.1 | Very high | 39 Ų | 39 | 70.8 Ų | 70.8 | 15% | 0.153 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.2 | -30.7 | -178 | 177.1 | -101.3 | 0 | 0 | 0 | 113.9 | M311 P314 D315 K334 L335 S336 Y356 Y358 | M311-Y332 HydrophobicContact SD-CE2 4.21Å; P314-Y332 HydrophobicContact CB-CD2 3.47Å; P314-Y332 VanDerWaalsContact CB-CD2 3.47Å; P314-Y332 HydrophobicContact CB-CE2 3.92Å; P314-Y332 HydrophobicContact CB-CG 3.88Å; D315-Y332 WeakPolarHBondContact OD1-CB 3.3Å; Y332-K334 PolarHBondContact O-N 3.03Å; Y332-L335 PolarHBondContact O-N 3.37Å; Y332-S336 WeakPolarHBondContact O-CB 3.32Å; Y332-S336 PolarHBondContact O-N 3.2Å; Y332-S336 PolarHBondContact O-OG 3.27Å; Y332-Y356 HydrophobicContact CD1-CE1 4.13Å; Y332-Y356 AromaticContact CE1-CD1 3.88Å; Y332-Y356 HydrophobicContact CE1-CD1 3.88Å; Y332-Y356 AromaticContact CE1-CE1 3.66Å; Y332-Y356 HydrophobicContact CE1-CE1 3.66Å; Y332-Y356 AromaticContact CE2-CD1 3.96Å; Y332-Y356 HydrophobicContact CE2-CD1 3.96Å; Y332-Y356 HydrophobicContact CE2-CE1 4.46Å; Y332-Y356 AromaticContact CZ-CD1 3.53Å; Y332-Y356 AromaticContact CZ-CE1 3.84Å; Y332-Y358 PolarHBondContact OH-OH 2.71Å; Y332-Y358 VanDerWaalsContact OH-OH 3.08Å |
| 333 | D | 97.8 | Very high | 96.1 | Very high | 111 Ų | 111 | 73.8 Ų | 73.8 | 59% | 0.594 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.9 | -46.7 | 174.7 | -62.5 | -69.7 | 0 | 0 | 0 | 112.2 | N331 S336 R337 | N331-D333 VanDerWaalsContact C-N 3.28Å; N331-D333 PolarHBondContact ND2-OD2 2.95Å; N331-D333 VanDerWaalsContact ND2-OD2 3.08Å; N331-D333 PolarHBondContact O-N 3.47Å; D333-S336 PolarHBondContact O-OG 3.12Å; D333-S336 VanDerWaalsContact O-OG 3.08Å; D333-R337 WeakPolarHBondContact O-CB 3.44Å; D333-R337 PolarHBondContact O-N 3.48Å |
| 334 | K | 97.9 | Very high | 96 | Very high | 112 Ų | 112 | 75 Ų | 75 | 49% | 0.487 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.5 | -40.9 | 178.6 | -67.9 | 165.8 | -162.2 | 175.7 | 0 | 111.4 | N329 M330 N331 Y332 R337 A338 | N329-K334 WeakPolarHBondContact O-CD 3.49Å; N329-K334 PolarHBondContact O-NZ 2.7Å; M330-K334 HydrophobicContact SD-CB 3.87Å; N331-K334 PolarHBondContact O-N 2.85Å; N331-K334 WeakPolarHBondContact OD1-CB 3.39Å; N331-K334 WeakPolarHBondContact OD1-CD 3.32Å; N331-K334 VanDerWaalsContact OD1-CG 3.22Å; N331-K334 WeakPolarHBondContact OD1-CG 3.19Å; N331-K334 PolarHBondContact OD1-N 3.21Å; N331-K334 VanDerWaalsContact OD1-N 3.12Å; Y332-K334 PolarHBondContact O-N 3.03Å; K334-R337 PolarHBondContact O-N 3.19Å; K334-A338 PolarHBondContact O-N 3.48Å; K334-A338 VanDerWaalsContact O-N 3.11Å |
| 335 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.2 | -50.1 | 175.7 | -171.7 | 151.5 | 0 | 0 | 0 | 110.7 | L283 M311 V317 A318 W321 N331 Y332 R337 A338 L339 | L283-L335 HydrophobicContact CD1-CD1 4.14Å; L283-L335 HydrophobicContact CD1-CG 4.14Å; L283-L335 HydrophobicContact CD2-CD2 4.45Å; L283-L335 HydrophobicContact CD2-CG 4.15Å; M311-L335 HydrophobicContact CE-CD2 3.94Å; M311-L335 HydrophobicContact SD-CD2 4.25Å; V317-L335 HydrophobicContact CG1-CD1 4.06Å; A318-L335 HydrophobicContact CB-CB 4.39Å; A318-L335 HydrophobicContact CB-CD1 4.12Å; W321-L335 HydrophobicContact CB-CD1 3.84Å; W321-L335 HydrophobicContact CG-CD1 4.05Å; N331-L335 PolarHBondContact O-N 3.09Å; Y332-L335 PolarHBondContact O-N 3.37Å; L335-R337 VanDerWaalsContact C-N 3.25Å; L335-R337 PolarHBondContact O-N 3.45Å; L335-A338 WeakPolarHBondContact O-CA 3.31Å; L335-A338 VanDerWaalsContact O-CB 3.31Å; L335-A338 WeakPolarHBondContact O-CB 3.41Å; L335-A338 PolarHBondContact O-N 3.18Å; L335-L339 HydrophobicContact CD2-CD1 3.65Å; L335-L339 HydrophobicContact CD2-CD2 4.33Å; L335-L339 HydrophobicContact CD2-CG 3.9Å; L335-L339 PolarHBondContact O-N 3.01Å |
| 336 | S | 98 | Very high | 95.9 | Very high | 4 Ų | 4 | 79.9 Ų | 79.9 | 3% | 0.028 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.3 | -29.1 | 177.2 | 74.9 | 0 | 0 | 0 | 0 | 112.3 | Y332 D333 A338 L339 R340 | Y332-S336 WeakPolarHBondContact O-CB 3.32Å; Y332-S336 PolarHBondContact O-N 3.2Å; Y332-S336 PolarHBondContact O-OG 3.27Å; D333-S336 PolarHBondContact O-OG 3.12Å; D333-S336 VanDerWaalsContact O-OG 3.08Å; S336-A338 VanDerWaalsContact C-N 3.3Å; S336-L339 PolarHBondContact O-N 2.67Å; S336-R340 WeakPolarHBondContact O-CG 3.38Å; S336-R340 PolarHBondContact O-N 3.08Å; S336-R340 VanDerWaalsContact O-N 3.15Å; S336-R340 PolarHBondContact O-NH1 2.77Å; S336-R340 PolarHBondContact OG-NH1 3.25Å |
| 337 | R | 97.9 | Very high | 96 | Very high | 112 Ų | 112 | 74.8 Ų | 74.8 | 42% | 0.423 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.7 | -34.1 | 172.1 | -176.2 | 62.9 | -166.7 | 94.7 | -14.5 | 111.6 | D333 K334 L335 Y341 | D333-R337 WeakPolarHBondContact O-CB 3.44Å; D333-R337 PolarHBondContact O-N 3.48Å; K334-R337 PolarHBondContact O-N 3.19Å; L335-R337 VanDerWaalsContact C-N 3.25Å; L335-R337 PolarHBondContact O-N 3.45Å; R337-Y341 HydrophobicContact CG-CE2 4.47Å; R337-Y341 VanDerWaalsContact NH1-CE1 3.31Å; R337-Y341 VanDerWaalsContact NH1-CE2 3.26Å; R337-Y341 PolarHBondContact NH2-OH 2.99Å; R337-Y341 VanDerWaalsContact O-CD2 3.32Å; R337-Y341 WeakPolarHBondContact O-CD2 3.44Å |
| 338 | A | 96.3 | Very high | 96 | Very high | 30 Ų | 30 | 69.4 Ų | 69.4 | 25% | 0.248 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.5 | -44.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L283 K334 L335 S336 R340 Y341 | L283-A338 HydrophobicContact CD2-CB 3.55Å; K334-A338 PolarHBondContact O-N 3.48Å; K334-A338 VanDerWaalsContact O-N 3.11Å; L335-A338 WeakPolarHBondContact O-CA 3.31Å; L335-A338 VanDerWaalsContact O-CB 3.31Å; L335-A338 WeakPolarHBondContact O-CB 3.41Å; L335-A338 PolarHBondContact O-N 3.18Å; S336-A338 VanDerWaalsContact C-N 3.3Å; A338-R340 VanDerWaalsContact C-N 3.27Å; A338-R340 PolarHBondContact O-N 2.87Å; A338-Y341 WeakPolarHBondContact O-CB 3.48Å; A338-Y341 PolarHBondContact O-N 3.22Å |
| 339 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.5 | -37.3 | 177.1 | -59.8 | 179.3 | 0 | 0 | 0 | 113 | L283 L287 M311 L335 S336 Y341 Y342 Y343 M348 Y358 | L283-L339 HydrophobicContact CD2-CD2 3.53Å; L283-L339 HydrophobicContact CD2-CG 4.12Å; L283-L339 HydrophobicContact CG-CD2 3.93Å; L287-L339 HydrophobicContact CD1-CD2 3.66Å; M311-L339 HydrophobicContact CE-CD1 3.93Å; L335-L339 HydrophobicContact CD2-CD1 3.65Å; L335-L339 HydrophobicContact CD2-CD2 4.33Å; L335-L339 HydrophobicContact CD2-CG 3.9Å; L335-L339 PolarHBondContact O-N 3.01Å; S336-L339 PolarHBondContact O-N 2.67Å; L339-Y341 PolarHBondContact O-N 3.15Å; L339-Y342 HydrophobicContact CD2-CD2 4.4Å; L339-Y342 WeakPolarHBondContact O-CB 3.49Å; L339-Y342 PolarHBondContact O-N 3.11Å; L339-Y343 WeakPolarHBondContact O-CD1 3.24Å; L339-Y343 WeakPolarHBondContact O-CE1 3.28Å; L339-M348 HydrophobicContact CB-SD 4.33Å; L339-M348 HydrophobicContact CD2-CE 4.17Å; L339-M348 HydrophobicContact CD2-SD 3.67Å; L339-M348 HydrophobicContact CG-SD 4.48Å; L339-Y358 HydrophobicContact CB-CE1 4.13Å; L339-Y358 HydrophobicContact CD1-CD1 4.28Å; L339-Y358 HydrophobicContact CD1-CD2 4.14Å; L339-Y358 HydrophobicContact CD1-CE1 3.79Å; L339-Y358 HydrophobicContact CD1-CE2 3.64Å; L339-Y358 HydrophobicContact CD1-CG 4.44Å; L339-Y358 VanDerWaalsContact CD1-CZ 3.44Å |
| 340 | R | 97.3 | Very high | 96.4 | Very high | 113 Ų | 113 | 65 Ų | 65 | 43% | 0.426 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -59.2 | -26.7 | 175.7 | -71.7 | 173.4 | -173.1 | 89.2 | -17.9 | 113.7 | S336 A338 Y342 Y343 | S336-R340 WeakPolarHBondContact O-CG 3.38Å; S336-R340 PolarHBondContact O-N 3.08Å; S336-R340 VanDerWaalsContact O-N 3.15Å; S336-R340 PolarHBondContact O-NH1 2.77Å; S336-R340 PolarHBondContact OG-NH1 3.25Å; A338-R340 VanDerWaalsContact C-N 3.27Å; A338-R340 PolarHBondContact O-N 2.87Å; R340-Y342 PolarHBondContact O-N 3.02Å; R340-Y343 HydrophobicContact CB-CE2 4.2Å; R340-Y343 HydrophobicContact CG-CE2 3.91Å |
| 341 | Y | 96.6 | Very high | 96.3 | Very high | 137 Ų | 137 | 64.5 Ų | 64.5 | 54% | 0.537 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -77.2 | -5 | 176.1 | -65.2 | -66.4 | 0 | 0 | 0 | 113.6 | R337 A338 L339 | R337-Y341 HydrophobicContact CG-CE2 4.47Å; R337-Y341 VanDerWaalsContact NH1-CE1 3.31Å; R337-Y341 VanDerWaalsContact NH1-CE2 3.26Å; R337-Y341 PolarHBondContact NH2-OH 2.99Å; R337-Y341 VanDerWaalsContact O-CD2 3.32Å; R337-Y341 WeakPolarHBondContact O-CD2 3.44Å; A338-Y341 WeakPolarHBondContact O-CB 3.48Å; A338-Y341 PolarHBondContact O-N 3.22Å; L339-Y341 PolarHBondContact O-N 3.15Å |
| 342 | Y | 96.8 | Very high | 96.1 | Very high | 30 Ų | 30 | 69.5 Ų | 69.5 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -93.9 | -9.4 | 176.9 | -66.2 | -45.1 | 0 | 0 | 0 | 114.1 | L283 W284 L339 R340 K345 N346 I347 M348 | L283-Y342 HydrophobicContact CB-CE2 4.02Å; L283-Y342 HydrophobicContact CD2-CE2 4.33Å; L283-Y342 HydrophobicContact CG-CE2 4.28Å; L283-Y342 PolarHBondContact N-OH 3.43Å; W284-Y342 HydrophobicContact CB-CD2 4.39Å; W284-Y342 HydrophobicContact CB-CE2 3.97Å; W284-Y342 AromaticContact CD1-CE1 3.71Å; W284-Y342 AromaticContact CD1-CZ 3.66Å; L339-Y342 HydrophobicContact CD2-CD2 4.4Å; L339-Y342 WeakPolarHBondContact O-CB 3.49Å; L339-Y342 PolarHBondContact O-N 3.11Å; R340-Y342 PolarHBondContact O-N 3.02Å; Y342-K345 PolarHBondContact O-N 2.71Å; Y342-N346 PolarHBondContact O-N 3.29Å; Y342-I347 HydrophobicContact CD1-CB 4.2Å; Y342-I347 HydrophobicContact CD1-CD1 3.91Å; Y342-I347 HydrophobicContact CD1-CG2 4Å; Y342-I347 HydrophobicContact CD2-CG2 4.47Å; Y342-I347 HydrophobicContact CE1-CD1 4.3Å; Y342-I347 HydrophobicContact CG-CB 4.28Å; Y342-I347 HydrophobicContact CG-CG2 3.93Å; Y342-I347 PolarHBondContact O-N 3.42Å; Y342-I347 VanDerWaalsContact O-N 3.16Å; Y342-M348 CarbonylContact C-O 3.59Å; Y342-M348 HydrophobicContact CD2-CE 3.84Å; Y342-M348 HydrophobicContact CD2-CG 4.25Å; Y342-M348 HydrophobicContact CD2-SD 3.96Å; Y342-M348 HydrophobicContact CE2-CE 4.4Å; Y342-M348 HydrophobicContact CG-CG 4.33Å; Y342-M348 PolarHBondContact O-N 2.91Å |
| 343 | Y | 96 | Very high | 95.9 | Very high | 67 Ų | 67 | 72.1 Ų | 72.1 | 26% | 0.263 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -55.3 | 179.9 | -56.1 | -7.6 | 0 | 0 | 0 | 110.2 | L339 R340 K345 N346 M348 K350 Y358 | L339-Y343 WeakPolarHBondContact O-CD1 3.24Å; L339-Y343 WeakPolarHBondContact O-CE1 3.28Å; R340-Y343 HydrophobicContact CB-CE2 4.2Å; R340-Y343 HydrophobicContact CG-CE2 3.91Å; Y343-K345 PolarHBondContact O-N 3.02Å; Y343-K345 VanDerWaalsContact O-N 3.1Å; Y343-N346 PolarHBondContact O-N 2.76Å; Y343-N346 VanDerWaalsContact O-N 3.15Å; Y343-M348 WeakPolarHBondContact CA-O 3.39Å; Y343-M348 WeakPolarHBondContact CD1-O 3.48Å; Y343-K350 HydrophobicContact CE1-CB 4.42Å; Y343-Y358 HydrophobicContact CE1-CE1 4.41Å |
| 344 | D | 92.4 | Very high | 95.7 | Very high | 150 Ų | 150 | 70.5 Ų | 70.5 | 80% | 0.802 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -6 | 178.9 | -44.4 | -38.1 | 0 | 0 | 0 | 113.1 | ||
| 345 | K | 90.8 | Very high | 95.6 | Very high | 122 Ų | 122 | 74.2 Ų | 74.2 | 53% | 0.53 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 4.3 | 176.2 | -67.9 | -159.7 | 71 | -179.9 | 0 | 113.7 | Y342 Y343 I347 | Y342-K345 PolarHBondContact O-N 2.71Å; Y343-K345 PolarHBondContact O-N 3.02Å; Y343-K345 VanDerWaalsContact O-N 3.1Å; K345-I347 HydrophobicContact CB-CD1 4.08Å; K345-I347 HydrophobicContact CB-CG1 4.34Å; K345-I347 HydrophobicContact CD-CD1 4.48Å; K345-I347 PolarHBondContact O-N 2.72Å |
| 346 | N | 93.8 | Very high | 95.6 | Very high | 91 Ų | 91 | 77.5 Ų | 77.5 | 49% | 0.487 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 23.9 | -176.3 | -68.3 | 90.7 | 0 | 0 | 0 | 114.5 | Y342 Y343 D361 G364 | Y342-N346 PolarHBondContact O-N 3.29Å; Y343-N346 PolarHBondContact O-N 2.76Å; Y343-N346 VanDerWaalsContact O-N 3.15Å; N346-D361 PolarHBondContact ND2-OD2 2.91Å; N346-D361 VanDerWaalsContact O-CB 3.29Å; N346-D361 WeakPolarHBondContact O-CB 3.22Å; N346-G364 WeakPolarHBondContact O-CA 3.1Å; N346-G364 PolarHBondContact O-N 2.82Å |
| 347 | I | 94.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -88.7 | -39.2 | -179.8 | -78.3 | 167.2 | 0 | 0 | 0 | 110.3 | W284 Y342 K345 F360 D361 I365 A368 | W284-I347 HydrophobicContact CB-CG2 3.69Å; W284-I347 HydrophobicContact CD2-CG2 4.37Å; W284-I347 HydrophobicContact CG-CG2 3.81Å; Y342-I347 HydrophobicContact CD1-CB 4.2Å; Y342-I347 HydrophobicContact CD1-CD1 3.91Å; Y342-I347 HydrophobicContact CD1-CG2 4Å; Y342-I347 HydrophobicContact CD2-CG2 4.47Å; Y342-I347 HydrophobicContact CE1-CD1 4.3Å; Y342-I347 HydrophobicContact CG-CB 4.28Å; Y342-I347 HydrophobicContact CG-CG2 3.93Å; Y342-I347 PolarHBondContact O-N 3.42Å; Y342-I347 VanDerWaalsContact O-N 3.16Å; K345-I347 HydrophobicContact CB-CD1 4.08Å; K345-I347 HydrophobicContact CB-CG1 4.34Å; K345-I347 HydrophobicContact CD-CD1 4.48Å; K345-I347 PolarHBondContact O-N 2.72Å; I347-F360 WeakPolarHBondContact O-CA 3.35Å; I347-D361 PolarHBondContact O-N 3.15Å; I347-D361 VanDerWaalsContact O-N 3.08Å; I347-I365 HydrophobicContact CG2-CD1 3.99Å; I347-A368 HydrophobicContact CD1-CB 4.1Å; I347-A368 HydrophobicContact CG1-CB 4.32Å |
| 348 | M | 95.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 161.7 | 172.9 | 61.4 | 177 | 70.1 | 0 | 0 | 111.2 | W284 L287 L339 Y342 Y343 K359 F360 | W284-M348 HydrophobicContact CB-CE 3.87Å; L287-M348 HydrophobicContact CD1-CE 4.49Å; L339-M348 HydrophobicContact CB-SD 4.33Å; L339-M348 HydrophobicContact CD2-CE 4.17Å; L339-M348 HydrophobicContact CD2-SD 3.67Å; L339-M348 HydrophobicContact CG-SD 4.48Å; Y342-M348 CarbonylContact C-O 3.59Å; Y342-M348 HydrophobicContact CD2-CE 3.84Å; Y342-M348 HydrophobicContact CD2-CG 4.25Å; Y342-M348 HydrophobicContact CD2-SD 3.96Å; Y342-M348 HydrophobicContact CE2-CE 4.4Å; Y342-M348 HydrophobicContact CG-CG 4.33Å; Y342-M348 PolarHBondContact O-N 2.91Å; Y343-M348 WeakPolarHBondContact CA-O 3.39Å; Y343-M348 WeakPolarHBondContact CD1-O 3.48Å; M348-K359 CarbonylContact C-O 3.21Å; M348-K359 WeakPolarHBondContact CA-O 3.37Å; M348-K359 WeakPolarHBondContact CB-O 3.21Å; M348-F360 HydrophobicContact CB-CD1 4.3Å; M348-F360 HydrophobicContact CE-CD1 4.09Å; M348-F360 HydrophobicContact CE-CE1 3.54Å; M348-F360 HydrophobicContact CE-CZ 4.18Å |
| 349 | T | 96.6 | Very high | 95.5 | Very high | 68 Ų | 68 | 73.2 Ų | 73.2 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 164.6 | 172.7 | 57 | 0 | 0 | 0 | 0 | 110.6 | Y358 K359 | T349-Y358 CarbonylContact O-C 3.38Å; T349-Y358 WeakPolarHBondContact O-CA 3.49Å; T349-K359 PolarHBondContact N-O 3.38Å; T349-K359 PolarHBondContact O-N 2.76Å |
| 350 | K | 96.3 | Very high | 95.4 | Very high | 89 Ų | 89 | 73.4 Ų | 73.4 | 39% | 0.387 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 136.9 | 170.6 | -171.9 | -172.9 | 174.4 | -170.3 | 0 | 109.8 | Y343 H352 Y358 | Y343-K350 HydrophobicContact CE1-CB 4.42Å; K350-H352 PolarHBondContact O-CD2 3.14Å; K350-Y358 HydrophobicContact CB-CD1 4.3Å; K350-Y358 HydrophobicContact CB-CE1 4.21Å; K350-Y358 HydrophobicContact CG-CD1 4.43Å; K350-Y358 HydrophobicContact CG-CE1 4.15Å |
| 351 | V | 96.4 | Very high | 95.2 | Very high | 25 Ų | 25 | 70 Ų | 70 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 120 | 166.8 | -176.7 | 0 | 0 | 0 | 0 | 109.2 | E308 K354 A357 K359 | E308-V351 HydrophobicContact CG-CG2 3.86Å; V351-K354 HydrophobicContact CG1-CB 4.23Å; V351-K354 HydrophobicContact CG1-CD 3.96Å; V351-K354 HydrophobicContact CG1-CG 4.14Å; V351-A357 HydrophobicContact CB-CB 3.97Å; V351-A357 HydrophobicContact CG2-CB 4.46Å; V351-A357 PolarHBondContact N-O 2.86Å; V351-K359 HydrophobicContact CG2-CB 4.05Å |
| 352 | H | 94.5 | Very high | 94.6 | Very high | 157 Ų | 157 | 66.4 Ų | 66.4 | 73% | 0.727 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -80.3 | 155.1 | 176 | -73.1 | -113.7 | 0 | 0 | 0 | 110.5 | K350 K354 | K350-H352 PolarHBondContact O-CD2 3.14Å; H352-K354 PolarHBondContact O-N 3.07Å; H352-K354 VanDerWaalsContact O-N 3.11Å |
| 353 | G | 93.9 | Very high | 94.1 | Very high | 94 Ų | 94 | 71.5 Ų | 71.5 | 97% | 0.969 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 78.7 | -27.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 354 | K | 93.7 | Very high | 93.7 | Very high | 77 Ų | 77 | 68.4 Ų | 68.4 | 34% | 0.335 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -97.6 | 148.5 | 175.9 | -64.7 | -173.3 | -176 | -178.7 | 0 | 112.5 | E303 E308 V351 H352 A357 | E303-K354 WeakPolarHBondContact OE1-CD 3.48Å; E303-K354 VanDerWaalsContact OE1-CE 3.28Å; E303-K354 WeakPolarHBondContact OE1-CE 3.41Å; E303-K354 IonicContact OE1-NZ 3.72Å; E303-K354 PolarHBondContact OE1-NZ 3.22Å; E308-K354 IonicContact OE1-NZ 3.7Å; E308-K354 PolarHBondContact OE1-NZ 2.97Å; V351-K354 HydrophobicContact CG1-CB 4.23Å; V351-K354 HydrophobicContact CG1-CD 3.96Å; V351-K354 HydrophobicContact CG1-CG 4.14Å; H352-K354 PolarHBondContact O-N 3.07Å; H352-K354 VanDerWaalsContact O-N 3.11Å; K354-A357 HydrophobicContact CB-CB 3.55Å; K354-A357 HydrophobicContact CD-CB 4.12Å; K354-A357 HydrophobicContact CG-CB 4.5Å |
| 355 | R | 95.7 | Very high | 93.5 | Very high | 190 Ų | 190 | 61.5 Ų | 61.5 | 72% | 0.717 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -84.1 | 138.2 | 171.5 | -73.2 | -175.6 | 67.9 | 178 | 0.4 | 110 | A357 | R355-A357 PolarHBondContact O-N 2.67Š|
| 356 | Y | 97.8 | Very high | 93.1 | Very high | 69 Ų | 69 | 58.1 Ų | 58.1 | 27% | 0.271 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 52.7 | 23.2 | 174.6 | -47.4 | -67.6 | 0 | 0 | 0 | 115.7 | K310 M311 P314 Y332 | K310-Y356 WeakPolarHBondContact CA-O 3.45Å; M311-Y356 PolarHBondContact N-O 2.72Å; M311-Y356 VanDerWaalsContact O-CB 3.32Å; M311-Y356 WeakPolarHBondContact O-CB 3.4Å; P314-Y356 HydrophobicContact CB-CD1 3.87Å; P314-Y356 HydrophobicContact CB-CE1 4.15Å; P314-Y356 HydrophobicContact CB-CG 4.23Å; P314-Y356 HydrophobicContact CG-CD1 3.9Å; P314-Y356 HydrophobicContact CG-CD2 4.19Å; P314-Y356 HydrophobicContact CG-CE1 3.81Å; P314-Y356 HydrophobicContact CG-CE2 4.12Å; P314-Y356 HydrophobicContact CG-CG 4.1Å; Y332-Y356 HydrophobicContact CD1-CE1 4.13Å; Y332-Y356 AromaticContact CE1-CD1 3.88Å; Y332-Y356 HydrophobicContact CE1-CD1 3.88Å; Y332-Y356 AromaticContact CE1-CE1 3.66Å; Y332-Y356 HydrophobicContact CE1-CE1 3.66Å; Y332-Y356 AromaticContact CE2-CD1 3.96Å; Y332-Y356 HydrophobicContact CE2-CD1 3.96Å; Y332-Y356 HydrophobicContact CE2-CE1 4.46Å; Y332-Y356 AromaticContact CZ-CD1 3.53Å; Y332-Y356 AromaticContact CZ-CE1 3.84Å |
| 357 | A | 97.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 140.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.3 | F309 K310 V351 K354 R355 | F309-A357 CarbonylContact O-C 3.6Å; F309-A357 VanDerWaalsContact O-CA 3.27Å; F309-A357 WeakPolarHBondContact O-CA 3.45Å; K310-A357 HydrophobicContact CB-CB 4.35Å; V351-A357 HydrophobicContact CB-CB 3.97Å; V351-A357 HydrophobicContact CG2-CB 4.46Å; V351-A357 PolarHBondContact N-O 2.86Å; K354-A357 HydrophobicContact CB-CB 3.55Å; K354-A357 HydrophobicContact CD-CB 4.12Å; K354-A357 HydrophobicContact CG-CB 4.5Å; R355-A357 PolarHBondContact O-N 2.67Å |
| 358 | Y | 97.5 | Very high | 92.1 | Very high | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.016 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 159.9 | -171.3 | -67.6 | -85.5 | 0 | 0 | 0 | 109.5 | E308 F309 Y332 L339 Y343 T349 K350 | E308-Y358 CarbonylContact C-O 3.58Å; E308-Y358 WeakPolarHBondContact CA-O 3.42Å; F309-Y358 WeakPolarHBondContact CD1-O 3.25Å; F309-Y358 HydrophobicContact CE2-CD2 4.39Å; F309-Y358 VanDerWaalsContact CZ-CB 3.5Å; F309-Y358 HydrophobicContact CZ-CD2 4.47Å; F309-Y358 HydrophobicContact CZ-CG 4.26Å; F309-Y358 PolarHBondContact N-O 3.33Å; F309-Y358 PolarHBondContact O-N 3.07Å; F309-Y358 VanDerWaalsContact O-O 3.11Å; Y332-Y358 PolarHBondContact OH-OH 2.71Å; Y332-Y358 VanDerWaalsContact OH-OH 3.08Å; L339-Y358 HydrophobicContact CB-CE1 4.13Å; L339-Y358 HydrophobicContact CD1-CD1 4.28Å; L339-Y358 HydrophobicContact CD1-CD2 4.14Å; L339-Y358 HydrophobicContact CD1-CE1 3.79Å; L339-Y358 HydrophobicContact CD1-CE2 3.64Å; L339-Y358 HydrophobicContact CD1-CG 4.44Å; L339-Y358 VanDerWaalsContact CD1-CZ 3.44Å; Y343-Y358 HydrophobicContact CE1-CE1 4.41Å; T349-Y358 CarbonylContact O-C 3.38Å; T349-Y358 WeakPolarHBondContact O-CA 3.49Å; K350-Y358 HydrophobicContact CB-CD1 4.3Å; K350-Y358 HydrophobicContact CB-CE1 4.21Å; K350-Y358 HydrophobicContact CG-CD1 4.43Å; K350-Y358 HydrophobicContact CG-CE1 4.15Å |
| 359 | K | 95.6 | Very high | 91.3 | Very high | 51 Ų | 51 | 64.8 Ų | 64.8 | 22% | 0.222 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 120.7 | -178.9 | -170.8 | 166.4 | -157.2 | 140.6 | 0 | 110.7 | T305 N306 G307 E308 M348 T349 V351 | T305-K359 WeakPolarHBondContact O-CE 3.39Å; T305-K359 PolarHBondContact O-NZ 2.92Å; T305-K359 PolarHBondContact OG1-NZ 3.04Å; N306-K359 WeakPolarHBondContact O-CE 3.47Å; G307-K359 WeakPolarHBondContact O-CA 3.38Å; E308-K359 HydrophobicContact CB-CB 4.27Å; E308-K359 HydrophobicContact CB-CD 4.07Å; E308-K359 HydrophobicContact CB-CG 4Å; E308-K359 IonicContact OE2-NZ 2.74Å; E308-K359 PolarHBondContact OE2-NZ 3.09Å; M348-K359 CarbonylContact C-O 3.21Å; M348-K359 WeakPolarHBondContact CA-O 3.37Å; M348-K359 WeakPolarHBondContact CB-O 3.21Å; T349-K359 PolarHBondContact N-O 3.38Å; T349-K359 PolarHBondContact O-N 2.76Å; V351-K359 HydrophobicContact CG2-CB 4.05Å |
| 360 | F | 95.5 | Very high | 90.3 | Very high | 5 Ų | 5 | 67.4 Ų | 67.4 | 2% | 0.022 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 144 | 171.8 | -69.8 | -77.2 | 0 | 0 | 0 | 110.6 | L266 W284 L287 L288 L291 W302 G307 F309 I347 M348 I365 | L266-F360 HydrophobicContact CD1-CD2 4.47Å; W284-F360 HydrophobicContact CB-CE1 4.31Å; L287-F360 HydrophobicContact CB-CZ 4.24Å; L288-F360 HydrophobicContact CD1-CE1 4.4Å; L288-F360 HydrophobicContact CD2-CD2 3.93Å; L288-F360 HydrophobicContact CD2-CE1 4.13Å; L288-F360 HydrophobicContact CD2-CE2 3.5Å; L288-F360 HydrophobicContact CD2-CG 4.42Å; L288-F360 HydrophobicContact CD2-CZ 3.62Å; L288-F360 HydrophobicContact CG-CE1 3.92Å; L288-F360 HydrophobicContact CG-CE2 4.05Å; L288-F360 HydrophobicContact CG-CZ 3.6Å; L291-F360 HydrophobicContact CD1-CE2 3.96Å; W302-F360 HydrophobicContact CH2-CD2 4.07Å; W302-F360 HydrophobicContact CH2-CE2 4.03Å; W302-F360 HydrophobicContact CZ3-CD2 4.01Å; W302-F360 HydrophobicContact CZ3-CE2 4.18Å; G307-F360 PolarHBondContact O-N 2.87Å; F309-F360 AromaticContact CD1-CD2 3.73Å; F309-F360 HydrophobicContact CD1-CD2 3.73Å; F309-F360 AromaticContact CD1-CE2 3.51Å; F309-F360 HydrophobicContact CD1-CE2 3.51Å; F309-F360 HydrophobicContact CD1-CZ 4.43Å; F309-F360 AromaticContact CE1-CD2 3.63Å; F309-F360 HydrophobicContact CE1-CD2 3.63Å; F309-F360 AromaticContact CE1-CE2 3.25Å; F309-F360 HydrophobicContact CE1-CE2 3.25Å; F309-F360 HydrophobicContact CE1-CG 4.4Å; F309-F360 AromaticContact CE1-CZ 3.76Å; F309-F360 HydrophobicContact CE1-CZ 3.76Å; F309-F360 HydrophobicContact CG-CE2 4.48Å; F309-F360 HydrophobicContact CZ-CE2 4.06Å; F309-F360 HydrophobicContact CZ-CZ 4.21Å; I347-F360 WeakPolarHBondContact O-CA 3.35Å; M348-F360 HydrophobicContact CB-CD1 4.3Å; M348-F360 HydrophobicContact CE-CD1 4.09Å; M348-F360 HydrophobicContact CE-CE1 3.54Å; M348-F360 HydrophobicContact CE-CZ 4.18Å; F360-I365 HydrophobicContact CD1-CD1 3.87Å; F360-I365 HydrophobicContact CD1-CG1 4.25Å; F360-I365 HydrophobicContact CE1-CD1 4.35Å |
| 361 | D | 92.1 | Very high | 88.6 | Confident | 41 Ų | 41 | 68.8 Ų | 68.8 | 22% | 0.219 | 36% | 0.362 | C | S | . | . | trans | -107.4 | 115.8 | 168.7 | 170.7 | 10.2 | 0 | 0 | 0 | 108.5 | N346 I347 H363 G364 I365 | N346-D361 PolarHBondContact ND2-OD2 2.91Å; N346-D361 VanDerWaalsContact O-CB 3.29Å; N346-D361 WeakPolarHBondContact O-CB 3.22Å; I347-D361 PolarHBondContact O-N 3.15Å; I347-D361 VanDerWaalsContact O-N 3.08Å; D361-H363 PolarHBondContact O-N 3.44Å; D361-H363 IonicContact OD1-CE1 3.8Å; D361-H363 IonicContact OD1-CG 2.82Å; D361-H363 PolarHBondContact OD1-N 2.88Å; D361-H363 IonicContact OD1-ND1 2.81Å; D361-H363 PolarHBondContact OD1-ND1 3.21Å; D361-G364 PolarHBondContact O-N 3.35Å; D361-I365 WeakPolarHBondContact O-CB 3.39Å; D361-I365 VanDerWaalsContact O-CG1 3.3Å; D361-I365 WeakPolarHBondContact O-CG1 3.15Å; D361-I365 PolarHBondContact O-N 3.25Å | ||
| 362 | F | 85.3 | Confident | 86.4 | Confident | 61 Ų | 61 | 75 Ų | 75 | 27% | 0.268 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.8 | -27.3 | -174.4 | -68.7 | -95.9 | 0 | 0 | 0 | 112.6 | I265 L266 N306 A366 | I265-F362 HydrophobicContact CB-CE1 4.42Å; I265-F362 HydrophobicContact CG2-CE1 3.97Å; L266-F362 HydrophobicContact CD1-CE1 4.05Å; L266-F362 HydrophobicContact CD1-CZ 3.81Å; L266-F362 HydrophobicContact CD2-CD1 4.08Å; L266-F362 HydrophobicContact CD2-CE1 3.53Å; L266-F362 HydrophobicContact CD2-CZ 4.14Å; L266-F362 HydrophobicContact CG-CE1 3.65Å; L266-F362 HydrophobicContact CG-CZ 3.9Å; N306-F362 HydrophobicContact CB-CE2 4.4Å; F362-A366 VanDerWaalsContact O-CB 3.25Å; F362-A366 WeakPolarHBondContact O-CB 3.36Å; F362-A366 PolarHBondContact O-N 2.72Å |
| 363 | H | 85.8 | Confident | 83.8 | Confident | 137 Ų | 137 | 72.4 Ų | 72.4 | 63% | 0.634 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -73 | -50.3 | -177.9 | -53 | 90.3 | 0 | 0 | 0 | 111.9 | D361 I365 A366 Q367 | D361-H363 PolarHBondContact O-N 3.44Å; D361-H363 IonicContact OD1-CE1 3.8Å; D361-H363 IonicContact OD1-CG 2.82Å; D361-H363 PolarHBondContact OD1-N 2.88Å; D361-H363 IonicContact OD1-ND1 2.81Å; D361-H363 PolarHBondContact OD1-ND1 3.21Å; H363-I365 VanDerWaalsContact C-N 3.34Å; H363-A366 PolarHBondContact O-N 2.8Å; H363-Q367 WeakPolarHBondContact O-CG 3.37Å; H363-Q367 PolarHBondContact O-N 2.95Å |
| 364 | G | 87.3 | Confident | 81.4 | Confident | 3 Ų | 3 | 74.1 Ų | 74.1 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -74.7 | -24.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N346 D361 A368 | N346-G364 WeakPolarHBondContact O-CA 3.1Å; N346-G364 PolarHBondContact O-N 2.82Å; D361-G364 PolarHBondContact O-N 3.35Å; G364-A368 VanDerWaalsContact O-CB 3.24Å; G364-A368 WeakPolarHBondContact O-CB 3.5Å; G364-A368 PolarHBondContact O-N 3.07Å |
| 365 | I | 87.6 | Confident | 78.6 | Confident | 5 Ų | 5 | 78.8 Ų | 78.8 | 3% | 0.026 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.7 | -54.1 | 163.5 | -70.7 | -72.3 | 0 | 0 | 0 | 110.1 | W284 L288 I347 F360 D361 H363 Q367 A368 L369 | W284-I365 HydrophobicContact CD2-CD1 4.04Å; W284-I365 HydrophobicContact CE3-CD1 3.35Å; W284-I365 HydrophobicContact CZ3-CD1 3.67Å; W284-I365 HydrophobicContact CZ3-CG2 4.49Å; L288-I365 HydrophobicContact CD1-CD1 4.43Å; I347-I365 HydrophobicContact CG2-CD1 3.99Å; F360-I365 HydrophobicContact CD1-CD1 3.87Å; F360-I365 HydrophobicContact CD1-CG1 4.25Å; F360-I365 HydrophobicContact CE1-CD1 4.35Å; D361-I365 WeakPolarHBondContact O-CB 3.39Å; D361-I365 VanDerWaalsContact O-CG1 3.3Å; D361-I365 WeakPolarHBondContact O-CG1 3.15Å; D361-I365 PolarHBondContact O-N 3.25Å; H363-I365 VanDerWaalsContact C-N 3.34Å; I365-Q367 VanDerWaalsContact C-N 3.26Å; I365-Q367 PolarHBondContact O-N 2.75Å; I365-A368 CarbonylContact O-C 3.5Å; I365-A368 WeakPolarHBondContact O-CA 3.39Å; I365-A368 WeakPolarHBondContact O-CB 3.42Å; I365-A368 PolarHBondContact O-N 2.88Å; I365-L369 HydrophobicContact CG2-CD2 4.17Å; I365-L369 HydrophobicContact CG2-CG 4.49Å; I365-L369 VanDerWaalsContact O-CD2 3.31Å; I365-L369 WeakPolarHBondContact O-CD2 3.38Å; I365-L369 VanDerWaalsContact O-CG 3.23Å; I365-L369 WeakPolarHBondContact O-CG 3.28Å; I365-L369 PolarHBondContact O-N 3.19Å |
| 366 | A | 83.6 | Confident | 75.9 | Confident | 50 Ų | 50 | 73.6 Ų | 73.6 | 41% | 0.413 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.9 | -34.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F362 H363 L369 Q370 | F362-A366 VanDerWaalsContact O-CB 3.25Å; F362-A366 WeakPolarHBondContact O-CB 3.36Å; F362-A366 PolarHBondContact O-N 2.72Å; H363-A366 PolarHBondContact O-N 2.8Å; A366-L369 PolarHBondContact O-N 2.7Å; A366-Q370 PolarHBondContact O-NE2 3.5Å |
| 367 | Q | 84.9 | Confident | 73.2 | Confident | 137 Ų | 137 | 76.3 Ų | 76.3 | 64% | 0.64 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -69.1 | -41.4 | 171 | -69.4 | 176.1 | 23 | 0 | 0 | 112.2 | H363 I365 L369 Q370 | H363-Q367 WeakPolarHBondContact O-CG 3.37Å; H363-Q367 PolarHBondContact O-N 2.95Å; I365-Q367 VanDerWaalsContact C-N 3.26Å; I365-Q367 PolarHBondContact O-N 2.75Å; Q367-L369 PolarHBondContact O-N 3.43Å; Q367-Q370 WeakPolarHBondContact O-CB 3.42Å; Q367-Q370 WeakPolarHBondContact O-CG 3.41Å; Q367-Q370 PolarHBondContact O-N 2.85Å; Q367-Q370 VanDerWaalsContact O-N 3.11Å |
| 368 | A | 81.8 | Confident | 70.2 | Confident | 29 Ų | 29 | 84.2 Ų | 84.2 | 24% | 0.24 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -69.5 | -7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | W284 I347 G364 I365 | W284-A368 HydrophobicContact CH2-CB 4.4Å; W284-A368 HydrophobicContact CZ2-CB 3.85Å; I347-A368 HydrophobicContact CD1-CB 4.1Å; I347-A368 HydrophobicContact CG1-CB 4.32Å; G364-A368 VanDerWaalsContact O-CB 3.24Å; G364-A368 WeakPolarHBondContact O-CB 3.5Å; G364-A368 PolarHBondContact O-N 3.07Å; I365-A368 CarbonylContact O-C 3.5Å; I365-A368 WeakPolarHBondContact O-CA 3.39Å; I365-A368 WeakPolarHBondContact O-CB 3.42Å; I365-A368 PolarHBondContact O-N 2.88Å |
| 369 | L | 78.4 | Confident | 67.2 | Low | 67 Ų | 67 | 94.8 Ų | 94.8 | 35% | 0.351 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -14.6 | 171.3 | -49.4 | -159.4 | 0 | 0 | 0 | 112.8 | T269 L273 W284 I365 A366 Q367 | T269-L369 HydrophobicContact CG2-CD1 4.25Å; L273-L369 HydrophobicContact CD1-CD1 4.05Å; L273-L369 HydrophobicContact CD1-CD2 3.38Å; L273-L369 HydrophobicContact CD1-CG 4.36Å; L273-L369 HydrophobicContact CD2-CD1 4.16Å; L273-L369 HydrophobicContact CD2-CD2 3.69Å; L273-L369 HydrophobicContact CD2-CG 4.39Å; L273-L369 HydrophobicContact CG-CD2 4.18Å; W284-L369 HydrophobicContact CH2-CD2 3.5Å; W284-L369 VanDerWaalsContact CH2-CD2 3.5Å; W284-L369 HydrophobicContact CZ2-CD2 4.49Å; W284-L369 HydrophobicContact CZ3-CD2 4.08Å; I365-L369 HydrophobicContact CG2-CD2 4.17Å; I365-L369 HydrophobicContact CG2-CG 4.49Å; I365-L369 VanDerWaalsContact O-CD2 3.31Å; I365-L369 WeakPolarHBondContact O-CD2 3.38Å; I365-L369 VanDerWaalsContact O-CG 3.23Å; I365-L369 WeakPolarHBondContact O-CG 3.28Å; I365-L369 PolarHBondContact O-N 3.19Å; A366-L369 PolarHBondContact O-N 2.7Å; Q367-L369 PolarHBondContact O-N 3.43Å |
| 370 | Q | 75.6 | Confident | 64.3 | Low | 124 Ų | 124 | 101.9 Ų | 101.9 | 58% | 0.579 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -64.8 | 133.6 | 179.7 | -62.4 | -54.9 | -53.3 | 0 | 0 | 109.4 | A366 Q367 H372 | A366-Q370 PolarHBondContact O-NE2 3.5Å; Q367-Q370 WeakPolarHBondContact O-CB 3.42Å; Q367-Q370 WeakPolarHBondContact O-CG 3.41Å; Q367-Q370 PolarHBondContact O-N 2.85Å; Q367-Q370 VanDerWaalsContact O-N 3.11Å; Q370-H372 PolarHBondContact O-N 3.06Å |
| 371 | P | 60.3 | Low | 61.4 | Low | 118 Ų | 118 | 111.2 Ų | 111.2 | 77% | 0.766 | 57% | 0.57 | S | S | * | * | trans | -67 | 99.5 | 175.7 | 27.8 | -33.1 | 0 | 0 | 0 | 108.5 | ||||
| 372 | H | 49.5 | Very low | 58.7 | Low | 154 Ų | 154 | 115 Ų | 115 | 71% | 0.713 | 60% | 0.598 | S | S | * | * | trans | -54.8 | 127.1 | 166.7 | -73.9 | -54 | 0 | 0 | 0 | 107.9 | Q370 T374 | Q370-H372 PolarHBondContact O-N 3.06Å; H372-T374 PolarHBondContact O-N 2.73Å | ||
| 373 | P | 41.4 | Very low | 56.6 | Low | 104 Ų | 104 | 117.3 Ų | 117.3 | 68% | 0.675 | 62% | 0.621 | S | S | * | * | trans | -57.4 | 144.2 | 173.2 | 26 | -33.8 | 0 | 0 | 0 | 108.5 | E375 | P373-E375 PolarHBondContact O-N 2.99Š| ||
| 374 | T | 43.4 | Very low | 54.4 | Low | 129 Ų | 129 | 117.5 Ų | 117.5 | 79% | 0.791 | 63% | 0.627 | S | S | * | * | trans | -72.2 | 80.7 | -178 | 49.9 | 0 | 0 | 0 | 0 | 110.4 | H372 S376 | H372-T374 PolarHBondContact O-N 2.73Å; T374-S376 PolarHBondContact O-N 3.08Å; T374-S376 PolarHBondContact O-OG 3.38Å | ||
| 375 | E | 35.4 | Very low | 52 | Low | 175 Ų | 175 | 125.3 Ų | 125.3 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | trans | -55 | 82.2 | 159.2 | -79.6 | -66.4 | 141.9 | 0 | 0 | 108 | P373 | P373-E375 PolarHBondContact O-N 2.99Š| ||
| 376 | S | 38.3 | Very low | 49.6 | Very low | 82 Ų | 82 | 130 Ų | 130 | 57% | 0.573 | 70% | 0.699 | S | S | * | * | trans | -69.4 | 143.7 | -179 | -59 | 0 | 0 | 0 | 0 | 107.8 | T374 M378 | T374-S376 PolarHBondContact O-N 3.08Å; T374-S376 PolarHBondContact O-OG 3.38Å; S376-M378 PolarHBondContact O-N 3.28Å | ||
| 377 | S | 40.4 | Very low | 47.5 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | trans | -69.6 | 34.2 | -176.9 | -47.5 | 0 | 0 | 0 | 0 | 114.7 | Y379 | S377-Y379 PolarHBondContact O-N 3.19Š| ||
| 378 | M | 34.2 | Very low | 45.2 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 82% | 0.823 | 73% | 0.726 | S | S | * | * | trans | -78.5 | 97 | 176.7 | -171.4 | 160.9 | 71.1 | 0 | 0 | 109 | S376 K380 | S376-M378 PolarHBondContact O-N 3.28Å; M378-K380 PolarHBondContact O-N 3.22Å | ||
| 379 | Y | 35.4 | Very low | 43.3 | Very low | 226 Ų | 226 | 141.8 Ų | 141.8 | 89% | 0.886 | 74% | 0.743 | S | S | * | * | trans | -48.1 | 104.1 | 172.9 | -98.2 | -100.7 | 0 | 0 | 0 | 110.9 | S377 Y381 | S377-Y379 PolarHBondContact O-N 3.19Å; Y379-Y381 PolarHBondContact O-N 3.04Å | ||
| 380 | K | 33.4 | Very low | 41.1 | Very low | 201 Ų | 201 | 144.5 Ų | 144.5 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -76.8 | 95.5 | 175.4 | -165.3 | 176.5 | -174.1 | -178.8 | 0 | 108.8 | M378 | M378-K380 PolarHBondContact O-N 3.22Š| ||
| 381 | Y | 35.3 | Very low | 39 | Very low | 200 Ų | 200 | 149.2 Ų | 149.2 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | trans | -53.3 | 134.7 | 172.8 | -130.1 | -91.2 | 0 | 0 | 0 | 109.8 | Y379 S383 | Y379-Y381 PolarHBondContact O-N 3.04Å; Y381-S383 PolarHBondContact O-N 3.28Å | ||
| 382 | P | 35.3 | Very low | 38 | Very low | 122 Ų | 122 | 152.6 Ų | 152.6 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -70.4 | 90.9 | 178 | -21.6 | 34.7 | 0 | 0 | 0 | 112.2 | D384 | P382-D384 VanDerWaalsContact C-N 3.29Å; P382-D384 PolarHBondContact O-N 3Å; P382-D384 VanDerWaalsContact O-N 3.09Å | ||
| 383 | S | 42.1 | Very low | 37.1 | Very low | 109 Ų | 109 | 149.4 Ų | 149.4 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -83.1 | 62.6 | 178.1 | -59.5 | 0 | 0 | 0 | 0 | 112.5 | Y381 | Y381-S383 PolarHBondContact O-N 3.28Š| ||
| 384 | D | 39.1 | Very low | 36.7 | Very low | 140 Ų | 140 | 153.4 Ų | 153.4 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -146.9 | 91.8 | 175.8 | -102.3 | -50.4 | 0 | 0 | 0 | 112.9 | P382 | P382-D384 VanDerWaalsContact C-N 3.29Å; P382-D384 PolarHBondContact O-N 3Å; P382-D384 VanDerWaalsContact O-N 3.09Å | ||
| 385 | I | 36.3 | Very low | 36.3 | Very low | 167 Ų | 167 | 154.2 Ų | 154.2 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -138.8 | 111.5 | 144.1 | -90.1 | 164.4 | 0 | 0 | 0 | 105.6 | ||||
| 386 | S | 37.9 | Very low | 36.3 | Very low | 103 Ų | 103 | 153.3 Ų | 153.3 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -111.2 | 96.5 | 178.6 | -70.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 387 | Y | 38.4 | Very low | 36.2 | Very low | 211 Ų | 211 | 157.3 Ų | 157.3 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -149.5 | 149.3 | 174.5 | -111.3 | -85.9 | 0 | 0 | 0 | 112.6 | ||||
| 388 | M | 37.9 | Very low | 36 | Very low | 161 Ų | 161 | 157.4 Ų | 157.4 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 77.9 | 148.7 | 178.4 | -65.3 | -74.7 | 85.3 | 0 | 0 | 117.2 | ||
| 389 | P | 40.5 | Very low | 36.2 | Very low | 93 Ų | 93 | 156.2 Ų | 156.2 | 60% | 0.604 | 79% | 0.786 | S | S | * | * | trans | -119.4 | 167.4 | -131.2 | 41.7 | -32.8 | 0 | 0 | 0 | 116.2 | ||||
| 390 | S | 32.3 | Very low | 36.3 | Very low | 123 Ų | 123 | 155.4 Ų | 155.4 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -61.8 | 131.9 | 179.9 | -46.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 391 | Y | 32.9 | Very low | 36.8 | Very low | 224 Ų | 224 | 151.8 Ų | 151.8 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | trans | -114.8 | 150.1 | 159.3 | -86.3 | -87.6 | 0 | 0 | 0 | 110.8 | ||||
| 392 | H | 39 | Very low | 37.7 | Very low | 189 Ų | 189 | 147.1 Ų | 147.1 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | trans | -93.9 | 134.3 | -165.4 | -117.5 | -47.2 | 0 | 0 | 0 | 114 | ||||
| 393 | A | 30.8 | Very low | 38.5 | Very low | 86 Ų | 86 | 147.1 Ų | 147.1 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 47.3 | 116.3 | 138.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 394 | H | 31.9 | Very low | 38.3 | Very low | 189 Ų | 189 | 150.1 Ų | 150.1 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | trans | -144.4 | 171.2 | 130.6 | -148.7 | 69.1 | 0 | 0 | 0 | 111.4 | ||||
| 395 | Q | 35.1 | Very low | 38.7 | Very low | 145 Ų | 145 | 150 Ų | 150 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | trans | -120.5 | 170.1 | -170.6 | -61.4 | -174.2 | -4.2 | 0 | 0 | 114.3 | ||||
| 396 | Q | 36.1 | Very low | 38.6 | Very low | 156 Ų | 156 | 147.3 Ų | 147.3 | 73% | 0.729 | 78% | 0.781 | S | S | * | * | trans | 76.6 | 151.7 | 155.2 | -51.5 | -148.7 | 24.3 | 0 | 0 | 116.8 | ||||
| 397 | K | 35.4 | Very low | 38.3 | Very low | 166 Ų | 166 | 148.2 Ų | 148.2 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | cis | -174.1 | 158 | -16.9 | 163.9 | 178.6 | 170.8 | -171.8 | 0 | 110.3 | ||||
| 398 | V | 36.7 | Very low | 38.2 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | 64.5 | 145.5 | 168.1 | -73.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 399 | N | 39.3 | Very low | 38.6 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -75 | 159.8 | 164.8 | -53.5 | 5.8 | 0 | 0 | 0 | 112.1 | ||||
| 400 | F | 36.3 | Very low | 38.2 | Very low | 210 Ų | 210 | 145.9 Ų | 145.9 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | -167.9 | 163.4 | 125.5 | -104.8 | -69.2 | 0 | 0 | 0 | 111.2 | |||||
| 401 | V | 44.6 | Very low | 38.3 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | trans | -158.3 | 161 | -166.7 | -166.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 402 | P | 54.6 | Low | 38.5 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | -107.7 | -154.4 | -50.5 | 38.7 | -21 | 0 | 0 | 0 | 110.1 | |||||
| 403 | P | 50.6 | Low | 38.4 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | -146.3 | 177.7 | 67.7 | 37.9 | -16.4 | 0 | 0 | 0 | 116.6 | |||||
| 404 | H | 37.9 | Very low | 38.7 | Very low | 173 Ų | 173 | 137.7 Ų | 137.7 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | -91.3 | 165.9 | 170.3 | -49.8 | -86.2 | 0 | 0 | 0 | 111.6 | ||||
| 405 | P | 47.7 | Very low | 39.2 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | -146.5 | -161.5 | 91.6 | 39.6 | -21.4 | 0 | 0 | 0 | 115 | |||||
| 406 | S | 34.4 | Very low | 39.4 | Very low | 112 Ų | 112 | 140 Ų | 140 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -122.8 | 161.8 | -156.6 | 54.3 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 407 | S | 31.9 | Very low | 39.1 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | 175.9 | 159 | 138 | 37 | 0 | 0 | 0 | 0 | 114 | ||||
| 408 | M | 36 | Very low | 39.1 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -100.1 | 174.1 | 163.9 | -51.1 | 179.3 | -174.8 | 0 | 0 | 109.7 | ||||
| 409 | P | 46.7 | Very low | 38.8 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | -159.8 | 163.3 | 88.2 | 41.5 | -20.7 | 0 | 0 | 0 | 119.9 | |||||
| 410 | V | 32.2 | Very low | 38.6 | Very low | 121 Ų | 121 | 131 Ų | 131 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | trans | 57.3 | 123.4 | 147.1 | -62.4 | 0 | 0 | 0 | 0 | 126 | ||||
| 411 | T | 33.5 | Very low | 39.3 | Very low | 132 Ų | 132 | 126.3 Ų | 126.3 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | 46.5 | 148.6 | 130.4 | 71.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 412 | S | 37.7 | Very low | 38.6 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | cis | -162.9 | -171.4 | 40.2 | 68 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 413 | S | 36.4 | Very low | 37.7 | Very low | 88 Ų | 88 | 135.5 Ų | 135.5 | 62% | 0.615 | 80% | 0.802 | S | S | * | * | cis | -155.7 | 164.1 | 5.2 | 46 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 414 | S | 38.4 | Very low | 36.8 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -107.2 | 145.4 | 172.4 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 415 | F | 40.8 | Very low | 36.5 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | -120.7 | 155.2 | 172.2 | -88.4 | -98.4 | 0 | 0 | 0 | 112.2 | ||||
| 416 | F | 40 | Very low | 36.9 | Very low | 203 Ų | 203 | 130.6 Ų | 130.6 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -60.9 | 162.9 | -166.5 | -59.5 | -92.1 | 0 | 0 | 0 | 115.6 | ||||
| 417 | G | 29.5 | Very low | 36.9 | Very low | 75 Ų | 75 | 132.1 Ų | 132.1 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | cis | -173.3 | -162.2 | 7.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 418 | A | 35.2 | Very low | 36.9 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -142.6 | 153.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 419 | A | 31.7 | Very low | 36.8 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -161.7 | 107 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 420 | S | 33.5 | Very low | 36.2 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | 43.1 | 152.3 | 141.2 | -56.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 421 | P | 52.7 | Low | 36.5 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -103.4 | 167.7 | -175.3 | 41.3 | -36.2 | 0 | 0 | 0 | 114.8 | ||||
| 422 | Y | 29.9 | Very low | 37.4 | Very low | 204 Ų | 204 | 131.8 Ų | 131.8 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -157.1 | 141.6 | 164.7 | -101.6 | -64.5 | 0 | 0 | 0 | 116.4 | ||||
| 423 | W | 34.6 | Very low | 37 | Very low | 217 Ų | 217 | 134 Ų | 134 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 71.2 | 171.2 | 156.5 | -69.7 | 118.8 | 0 | 0 | 0 | 122 | ||||
| 424 | T | 32.6 | Very low | 37.8 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -133.4 | 164.4 | -148.1 | 53.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 425 | S | 32.3 | Very low | 37.5 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -13.6 | 162.7 | 152.2 | -56.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 426 | P | 56 | Low | 37.7 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | cis | -142.9 | -173.7 | -23.9 | 37.6 | -17.7 | 0 | 0 | 0 | 115.1 | ||||
| 427 | T | 34.5 | Very low | 38.3 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | 64.3 | 141.3 | 155.6 | 46.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 428 | G | 31.2 | Very low | 38.8 | Very low | 84 Ų | 84 | 137 Ų | 137 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | 138.2 | 134 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 429 | G | 34.2 | Very low | 38.9 | Very low | 72 Ų | 72 | 140.3 Ų | 140.3 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -149.6 | 159.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 430 | I | 33.9 | Very low | 39.9 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -141.4 | 136.9 | 178.7 | -76.2 | 104.3 | 0 | 0 | 0 | 110.1 | ||||
| 431 | Y | 37.5 | Very low | 40 | Very low | 223 Ų | 223 | 141.7 Ų | 141.7 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | trans | -113.4 | 156.9 | 162.5 | -78 | -84.1 | 0 | 0 | 0 | 108 | ||||
| 432 | P | 52 | Low | 39.4 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | -155.7 | 141.6 | 91.3 | 37.5 | -18 | 0 | 0 | 0 | 117.6 | |||||
| 433 | N | 30.7 | Very low | 39.7 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -169.7 | 165.2 | 137.4 | -113.3 | -12 | 0 | 0 | 0 | 111 | ||||
| 434 | P | 51.9 | Low | 40.1 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | -134.6 | -177.9 | -124.4 | 41.2 | -22.2 | 0 | 0 | 0 | 117.3 | |||||
| 435 | N | 32.8 | Very low | 40.7 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | 65.4 | 86.4 | 157.7 | -66.9 | 2.2 | 0 | 0 | 0 | 119.5 | ||||
| 436 | V | 45.6 | Very low | 41 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -84.2 | 167.4 | 139.2 | -143.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 437 | P | 51.4 | Low | 40.5 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | -147.3 | 148.4 | 82.4 | 35.3 | -16 | 0 | 0 | 0 | 116.6 | |||||
| 438 | R | 40 | Very low | 40.8 | Very low | 235 Ų | 235 | 140.4 Ų | 140.4 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -90.2 | 150.4 | 150.8 | -85.5 | 178.8 | 167 | 161.3 | -5.2 | 108.7 | ||||
| 439 | H | 38.8 | Very low | 41.2 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | trans | -96.7 | 160 | 166.7 | -94 | -98.3 | 0 | 0 | 0 | 112.2 | ||||
| 440 | P | 51.7 | Low | 41.5 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | trans | -118.3 | -179.2 | -141.3 | 43.3 | -35.3 | 0 | 0 | 0 | 115.4 | ||||
| 441 | N | 36.8 | Very low | 41.7 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -89.2 | 161.3 | 164.6 | -160.9 | 16.6 | 0 | 0 | 0 | 110.5 | ||||
| 442 | T | 38.8 | Very low | 42.2 | Very low | 123 Ų | 123 | 147 Ų | 147 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -137.6 | 146 | 178.4 | -54 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 443 | H | 37.1 | Very low | 41.7 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -104.9 | 160.3 | -170.1 | -81.2 | -107.7 | 0 | 0 | 0 | 114.7 | ||||
| 444 | V | 41.9 | Very low | 42.3 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | trans | -12.2 | 159.1 | 166 | -52.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 445 | P | 45.4 | Very low | 41.8 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | -135.3 | 167.7 | 96.2 | 39.4 | -30.5 | 0 | 0 | 0 | 115.3 | |||||
| 446 | S | 39.3 | Very low | 42.3 | Very low | 106 Ų | 106 | 150.6 Ų | 150.6 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -108.9 | 137.3 | -179.2 | -48.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 447 | H | 44.1 | Very low | 42.1 | Very low | 172 Ų | 172 | 152 Ų | 152 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -139 | 142.3 | 171.2 | -64.1 | -74.2 | 0 | 0 | 0 | 111.4 | ||||
| 448 | L | 42.4 | Very low | 41.5 | Very low | 186 Ų | 186 | 154.7 Ų | 154.7 | 97% | 0.974 | 81% | 0.806 | S | S | * | * | trans | -87.7 | 151.9 | 172.6 | -68.6 | 87.6 | 0 | 0 | 0 | 110.6 | ||||
| 449 | G | 37.9 | Very low | 41.6 | Very low | 81 Ų | 81 | 149 Ų | 149 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -163.2 | 132.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 450 | S | 40.4 | Very low | 41.8 | Very low | 94 Ų | 94 | 146.8 Ų | 146.8 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | trans | -109.8 | 168.5 | -175.3 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 451 | Y | 39.5 | Very low | 41 | Very low | 206 Ų | 206 | 150.2 Ų | 150.2 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | trans | 75.4 | 112.8 | 170.9 | -49.3 | -77.6 | 0 | 0 | 0 | 116.5 | ||||
| 452 | Y | 48.3 | Very low | 41.4 | Very low | 303 Ų | 303 | 150.9 Ų | 150.9 | 100% | 1.188 | 81% | 0.812 | S | S | * | * | -143.6 | 0 | 80.6 | -110.2 | -83 | 0 | 0 | 0 | 111 |
Retrieved 452 of 452 residues in 92.5 ms
(Link to these results)