| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.3 | Very low | 43.3 | Very low | 241 Ų | 241 | 137.4 Ų | 137.4 | 100% | 1.187 | 84% | 0.837 | S | S | * | * | 0 | 142.5 | 0 | -76.2 | 166.5 | 138.3 | 0 | 0 | 108 | |||||
| 2 | S | 38.9 | Very low | 43.4 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | trans | 34.2 | 148.2 | 157.8 | -50.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 3 | A | 43.9 | Very low | 43.4 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | trans | 63.2 | 113.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 4 | A | 41 | Very low | 44 | Very low | 99 Ų | 99 | 137 Ų | 137 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | cis | 72.6 | 114 | 4.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 5 | T | 50.1 | Low | 44.2 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | trans | -143.5 | 142.8 | 159.7 | -62.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 6 | H | 44.9 | Very low | 44.6 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 79% | 0.787 | 82% | 0.821 | S | S | * | * | trans | -45.6 | 151.4 | -174.9 | -65.9 | -101.1 | 0 | 0 | 0 | 117.7 | ||||
| 7 | M | 41.9 | Very low | 45.4 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | cis | 85.2 | 112.9 | 33.4 | -71.5 | -84.6 | -89.1 | 0 | 0 | 116.5 | ||||
| 8 | A | 41.5 | Very low | 45.8 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | 175.5 | 157.5 | 138.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 9 | M | 38.5 | Very low | 46.1 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -136.9 | -135.9 | 178.9 | -64.1 | -157.5 | 92.7 | 0 | 0 | 114.4 | ||||
| 10 | P | 53.4 | Low | 46.1 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | -131 | -167.7 | -111.5 | 42.3 | -23.5 | 0 | 0 | 0 | 116 | |||||
| 11 | A | 42.2 | Very low | 46.5 | Very low | 74 Ų | 74 | 130 Ų | 130 | 61% | 0.612 | 81% | 0.812 | S | S | * | * | 140.1 | 163.9 | 129.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 12 | H | 43.8 | Very low | 47.1 | Very low | 186 Ų | 186 | 123.5 Ų | 123.5 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 75.3 | 144.2 | 167 | -60.8 | -74.7 | 0 | 0 | 0 | 119.2 | ||||
| 13 | A | 43.6 | Very low | 47.3 | Very low | 80 Ų | 80 | 124.1 Ų | 124.1 | 66% | 0.661 | 79% | 0.786 | S | S | * | * | cis | -168.7 | 150.2 | -12.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 14 | V | 51.5 | Low | 47.3 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | 70.8 | 150.7 | 144.5 | 174.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 15 | V | 47 | Very low | 47.5 | Very low | 128 Ų | 128 | 126.9 Ų | 126.9 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -165 | 164 | -158.4 | 158.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 16 | P | 51.4 | Low | 47.1 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | cis | -124.7 | -94.2 | 7.3 | 21.6 | 7.1 | 0 | 0 | 0 | 120.6 | ||||
| 17 | P | 58.2 | Low | 47.3 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -137.9 | -146 | -141.5 | 48.6 | -25.5 | 0 | 0 | 0 | 114.4 | ||||
| 18 | P | 51.7 | Low | 47.3 | Very low | 128 Ų | 128 | 117.1 Ų | 117.1 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | cis | -129.3 | 172 | -25.1 | 40.5 | -24.4 | 0 | 0 | 0 | 116 | ||||
| 19 | G | 51.6 | Low | 47.2 | Very low | 76 Ų | 76 | 118.2 Ų | 118.2 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | 173.1 | 154.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 20 | T | 47.8 | Very low | 47.4 | Very low | 137 Ų | 137 | 114.3 Ų | 114.3 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -145.6 | 175.9 | -177 | 58.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 21 | P | 53.2 | Low | 46.7 | Very low | 116 Ų | 116 | 115.7 Ų | 115.7 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | -115 | -103.8 | -16.4 | 18.2 | 8.4 | 0 | 0 | 0 | 111.4 | ||||
| 22 | P | 53.1 | Low | 46.5 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | cis | -137.4 | 154.3 | -43.8 | 38.7 | -20.5 | 0 | 0 | 0 | 118.9 | ||||
| 23 | V | 43.3 | Very low | 46.3 | Very low | 132 Ų | 132 | 115.1 Ų | 115.1 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | trans | 82.2 | 145.5 | 136.9 | 159.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 24 | L | 43.9 | Very low | 46.1 | Very low | 173 Ų | 173 | 119.3 Ų | 119.3 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | 82.2 | 132.9 | -179.5 | -55 | -177.2 | 0 | 0 | 0 | 117.7 | ||||
| 25 | G | 44.6 | Very low | 45.7 | Very low | 77 Ų | 77 | 118.3 Ų | 118.3 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | cis | 174.2 | 158.8 | -10.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 26 | G | 42.6 | Very low | 45.4 | Very low | 75 Ų | 75 | 117.6 Ų | 117.6 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 95.3 | 146.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 27 | S | 49 | Very low | 44.8 | Very low | 128 Ų | 128 | 115.7 Ų | 115.7 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | cis | -162.5 | 126.4 | -6.5 | -78.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 28 | G | 41.9 | Very low | 44.1 | Very low | 78 Ų | 78 | 119 Ų | 119 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | 67.6 | 163.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 29 | C | 39.5 | Very low | 43.5 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | cis | -174.2 | 162.9 | -14.4 | 57.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 30 | S | 41.3 | Very low | 42.8 | Very low | 101 Ų | 101 | 123.8 Ų | 123.8 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | cis | -169 | 175.3 | -22.8 | -89.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 31 | N | 39.1 | Very low | 42.3 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | 75.5 | 142.2 | 164.7 | -63 | -9.8 | 0 | 0 | 0 | 119.8 | ||||
| 32 | L | 38.9 | Very low | 41.6 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | cis | -168 | 167.8 | -28.8 | -122.6 | 175.2 | 0 | 0 | 0 | 111.5 | ||||
| 33 | S | 39.9 | Very low | 41 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | trans | 72.3 | 110.5 | 158.5 | 64.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 34 | L | 38.3 | Very low | 40.6 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -109 | 167.9 | 131.1 | -72.3 | 93.8 | 0 | 0 | 0 | 107.9 | ||||
| 35 | P | 44.6 | Very low | 40.4 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | -155.9 | 153.4 | 107.6 | 37.6 | -19.3 | 0 | 0 | 0 | 118.5 | |||||
| 36 | S | 39.3 | Very low | 40.1 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | 58.9 | 127.3 | 139.5 | -161.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 37 | G | 39.8 | Very low | 39.9 | Very low | 79 Ų | 79 | 138.1 Ų | 138.1 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | -170.9 | 98.6 | 169 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 38 | K | 42.3 | Very low | 39.4 | Very low | 178 Ų | 178 | 138 Ų | 138 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | trans | -82.5 | 154.9 | -166.2 | -56.3 | 167.2 | 178.1 | 171.3 | 0 | 115.6 | ||||
| 39 | R | 39.3 | Very low | 39.1 | Very low | 238 Ų | 238 | 140 Ų | 140 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | 101.1 | 125.4 | 130.8 | -159.3 | -165.5 | -53 | -121.5 | 10.2 | 120 | ||||
| 40 | G | 37.2 | Very low | 38.8 | Very low | 66 Ų | 66 | 141.2 Ų | 141.2 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | trans | 153.1 | 106.3 | 142.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 41 | H | 37.5 | Very low | 38.5 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | 62.2 | 95.9 | 142.1 | -76.5 | 98.1 | 0 | 0 | 0 | 125.5 | ||||
| 42 | K | 37.7 | Very low | 38.6 | Very low | 186 Ų | 186 | 140 Ų | 140 | 81% | 0.809 | 78% | 0.78 | S | S | * | * | 17 | 138.1 | 125.7 | -58.1 | -168.6 | 177.5 | -167.9 | 0 | 121.4 | |||||
| 43 | R | 41.9 | Very low | 38.4 | Very low | 249 Ų | 249 | 141.3 Ų | 141.3 | 94% | 0.94 | 79% | 0.787 | S | S | * | * | -152.2 | 155.8 | 111.9 | -101.8 | 171.5 | -157 | -89.3 | -0 | 110.2 | |||||
| 44 | S | 33.8 | Very low | 38.3 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | -161.4 | 136.3 | -168 | 54 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 45 | V | 41 | Very low | 38.1 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 87% | 0.873 | 79% | 0.79 | S | S | * | * | trans | -158.6 | 121.9 | 162.5 | -88.7 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 46 | S | 36.5 | Very low | 37.8 | Very low | 93 Ų | 93 | 146.6 Ų | 146.6 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | cis | 76.9 | 101.5 | 25.9 | -127.6 | 0 | 0 | 0 | 0 | 115.1 | E48 | S46-E48 PolarHBondContact OG-OE2 3.14Š| ||
| 47 | L | 40.1 | Very low | 37.7 | Very low | 156 Ų | 156 | 145.5 Ų | 145.5 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | 174.1 | 119 | 131.3 | -85.5 | 160.1 | 0 | 0 | 0 | 105.2 | ||||
| 48 | E | 37.2 | Very low | 37.5 | Very low | 125 Ų | 125 | 148 Ų | 148 | 58% | 0.584 | 79% | 0.787 | S | S | * | * | cis | 72.9 | 138.2 | 46.6 | -55.5 | 163.1 | 77.3 | 0 | 0 | 111.8 | S46 | S46-E48 PolarHBondContact OG-OE2 3.14Š| ||
| 49 | N | 35.5 | Very low | 37.8 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 65% | 0.647 | 79% | 0.787 | S | S | * | * | cis | -165.6 | 167 | -5.1 | -121.3 | -25.7 | 0 | 0 | 0 | 112.1 | ||||
| 50 | N | 33.7 | Very low | 37.8 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | trans | 59.6 | 140.8 | 150.1 | -63.6 | -31.2 | 0 | 0 | 0 | 123.1 | ||||
| 51 | A | 35.9 | Very low | 38.1 | Very low | 91 Ų | 91 | 143.7 Ų | 143.7 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -90.8 | 170.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 52 | P | 40.3 | Very low | 38.2 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | -146.2 | -174.9 | 122.5 | 38.4 | -22.6 | 0 | 0 | 0 | 115.7 | |||||
| 53 | L | 33.9 | Very low | 38.4 | Very low | 176 Ų | 176 | 138.4 Ų | 138.4 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -90 | 146.1 | -169.1 | -60.4 | 155.5 | 0 | 0 | 0 | 115.2 | ||||
| 54 | A | 38.5 | Very low | 38.3 | Very low | 90 Ų | 90 | 130.9 Ų | 130.9 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | trans | -168.4 | 114.7 | 148.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 55 | L | 34.9 | Very low | 38.5 | Very low | 175 Ų | 175 | 130.5 Ų | 130.5 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | 63 | 112.9 | 77 | -67.7 | 178.3 | 0 | 0 | 0 | 116 | |||||
| 56 | R | 36.7 | Very low | 38.4 | Very low | 235 Ų | 235 | 132.1 Ų | 132.1 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | 172.4 | 116.3 | 117.6 | -174.3 | 165.6 | -178.4 | 169.4 | -1.9 | 115.9 | |||||
| 57 | S | 37.2 | Very low | 38.3 | Very low | 91 Ų | 91 | 131.2 Ų | 131.2 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | trans | 54.1 | 119.6 | 150.1 | -54.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 58 | T | 37.5 | Very low | 37.9 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | 59.1 | 155.3 | 59.5 | 71.5 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 59 | P | 47.8 | Very low | 38.2 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | -120.8 | -152.5 | 4.2 | 41.5 | -22.8 | 0 | 0 | 0 | 112.1 | ||||
| 60 | S | 39.2 | Very low | 38 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | cis | -163.1 | 177 | 0.3 | -153.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 61 | M | 43 | Very low | 38.2 | Very low | 175 Ų | 175 | 130.2 Ų | 130.2 | 86% | 0.862 | 79% | 0.789 | S | S | * | * | trans | 56.6 | 123.4 | 163.4 | -55.5 | -77.2 | -125.8 | 0 | 0 | 117.8 | ||||
| 62 | G | 41 | Very low | 38.1 | Very low | 74 Ų | 74 | 132.6 Ų | 132.6 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | cis | 173.7 | 178.8 | 1.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 63 | Q | 41.4 | Very low | 37.8 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | cis | -155.5 | -130.4 | -3.2 | -151.3 | -178.8 | 90.8 | 0 | 0 | 111.6 | ||||
| 64 | S | 38.7 | Very low | 37.8 | Very low | 90 Ų | 90 | 131 Ų | 131 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | trans | -104 | 168.4 | -165.8 | 27.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 65 | S | 39.2 | Very low | 37.6 | Very low | 98 Ų | 98 | 136.2 Ų | 136.2 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | cis | -174.4 | 146.1 | -15.3 | 51.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 66 | L | 37.4 | Very low | 37.6 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 93% | 0.927 | 78% | 0.781 | S | S | * | * | trans | 41.5 | 133 | 137.1 | -55.1 | 172.2 | 0 | 0 | 0 | 122.3 | ||||
| 67 | G | 34.3 | Very low | 37.6 | Very low | 74 Ų | 74 | 125.8 Ų | 125.8 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | 169.2 | 123.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 68 | S | 33.3 | Very low | 37.6 | Very low | 123 Ų | 123 | 128 Ų | 128 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -158.1 | 170.1 | 167.2 | -63.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 69 | P | 43.5 | Very low | 37.3 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | cis | -142.4 | -167.3 | 9.9 | 40.5 | -18.5 | 0 | 0 | 0 | 116 | ||||
| 70 | L | 31.6 | Very low | 36.6 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | 80.6 | 116 | 136 | -157.8 | 70.6 | 0 | 0 | 0 | 123.6 | ||||
| 71 | L | 36.6 | Very low | 36.1 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | 77.1 | 150.9 | 144.7 | -79.6 | 173.7 | 0 | 0 | 0 | 125.4 | ||||
| 72 | Q | 35.1 | Very low | 35.5 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | trans | 88.5 | 96.5 | 148.7 | -137.1 | 67.1 | 4.3 | 0 | 0 | 121.9 | ||||
| 73 | F | 32.6 | Very low | 35 | Very low | 197 Ų | 197 | 131 Ų | 131 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 41.9 | 130 | 142.1 | -78.5 | -106 | 0 | 0 | 0 | 122.2 | ||||
| 74 | G | 33.8 | Very low | 34.5 | Very low | 76 Ų | 76 | 131.8 Ų | 131.8 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | 168.4 | 115.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 75 | Q | 34.6 | Very low | 34.1 | Very low | 199 Ų | 199 | 130.1 Ų | 130.1 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -65.7 | 156.7 | 171 | -57.4 | 163.8 | -12.2 | 0 | 0 | 109.6 | ||||
| 76 | A | 34.8 | Very low | 33.5 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | cis | -164.9 | 177.9 | 31 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 77 | A | 38 | Very low | 33.3 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | 68.2 | 126.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 78 | P | 36.3 | Very low | 33.2 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | trans | -98.5 | 140.1 | -174.1 | 36.8 | -33.3 | 0 | 0 | 0 | 114.5 | ||||
| 79 | G | 31.6 | Very low | 33.2 | Very low | 78 Ų | 78 | 136.5 Ų | 136.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -159.1 | 82.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 80 | Q | 32.8 | Very low | 32.6 | Very low | 200 Ų | 200 | 135.8 Ų | 135.8 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | trans | -145.3 | 144.8 | -176.8 | -103.2 | 179.7 | -9.3 | 0 | 0 | 112.2 | ||||
| 81 | G | 29.2 | Very low | 32.5 | Very low | 59 Ų | 59 | 135.4 Ų | 135.4 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | trans | -106.4 | -175.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 82 | H | 29.9 | Very low | 32.4 | Very low | 199 Ų | 199 | 138 Ų | 138 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | 61.1 | 81.3 | 170.1 | -63.8 | 97.8 | 0 | 0 | 0 | 117.9 | ||||
| 83 | S | 30.4 | Very low | 32.5 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | -162.1 | 137.4 | 125.4 | -167.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 84 | Q | 30.4 | Very low | 32.7 | Very low | 200 Ų | 200 | 137.3 Ų | 137.3 | 94% | 0.935 | 81% | 0.805 | S | S | * | * | trans | -95.5 | 106.6 | 177 | -78.9 | -160.2 | -23.5 | 0 | 0 | 111.3 | ||||
| 85 | G | 30.5 | Very low | 33.1 | Very low | 55 Ų | 55 | 140.9 Ų | 140.9 | 57% | 0.567 | 80% | 0.801 | S | S | * | * | trans | -85.4 | 157.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 86 | F | 27.8 | Very low | 33.5 | Very low | 208 Ų | 208 | 138.5 Ų | 138.5 | 91% | 0.912 | 79% | 0.79 | S | S | * | * | trans | -69.2 | 124.5 | 176.6 | -67 | -104.9 | 0 | 0 | 0 | 111.8 | ||||
| 87 | H | 32.6 | Very low | 33.8 | Very low | 183 Ų | 183 | 142.6 Ų | 142.6 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | trans | -136 | 123 | 163.6 | -66.3 | -62.3 | 0 | 0 | 0 | 111.7 | ||||
| 88 | T | 30.9 | Very low | 34.2 | Very low | 137 Ų | 137 | 148.3 Ų | 148.3 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -76.9 | 123.5 | 170.8 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 89 | G | 34.7 | Very low | 34.2 | Very low | 77 Ų | 77 | 151.7 Ų | 151.7 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -137.3 | 131.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 90 | T | 30.4 | Very low | 34.5 | Very low | 102 Ų | 102 | 155 Ų | 155 | 63% | 0.626 | 79% | 0.787 | S | S | * | * | trans | -104 | 165.9 | -176 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 91 | L | 28.6 | Very low | 34.6 | Very low | 138 Ų | 138 | 151 Ų | 151 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | trans | 85.6 | 120.3 | 165.1 | -54.3 | 171.9 | 0 | 0 | 0 | 119.5 | ||||
| 92 | K | 35.9 | Very low | 34.9 | Very low | 197 Ų | 197 | 157 Ų | 157 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | 46.3 | 112.2 | 136.4 | -63.8 | 173.9 | 175.5 | 172.4 | 0 | 119.4 | ||||
| 93 | S | 36.4 | Very low | 35.3 | Very low | 82 Ų | 82 | 155.7 Ų | 155.7 | 57% | 0.573 | 79% | 0.785 | S | S | * | * | -152.1 | 138.7 | 113.5 | -171.4 | 0 | 0 | 0 | 0 | 113.6 | Q95 | S93-Q95 PolarHBondContact O-N 2.88Å; S93-Q95 WeakPolarHBondContact OG-CB 3.43Å; S93-Q95 PolarHBondContact OG-N 3.16Å | |||
| 94 | R | 36.3 | Very low | 35.5 | Very low | 241 Ų | 241 | 160.4 Ų | 160.4 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -78 | 2.3 | 176.2 | -160.4 | -179.1 | -175.6 | -169.3 | 3.8 | 112.8 | ||
| 95 | Q | 42.6 | Very low | 35.5 | Very low | 151 Ų | 151 | 154 Ų | 154 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -100 | -26.1 | -166.2 | -164.4 | 164.7 | -4.3 | 0 | 0 | 113.3 | S93 Q97 R98 | S93-Q95 PolarHBondContact O-N 2.88Å; S93-Q95 WeakPolarHBondContact OG-CB 3.43Å; S93-Q95 PolarHBondContact OG-N 3.16Å; Q95-Q97 VanDerWaalsContact C-N 3.33Å; Q95-Q97 PolarHBondContact O-N 3.42Å; Q95-R98 PolarHBondContact O-N 3.28Å |
| 96 | E | 43.5 | Very low | 35.6 | Very low | 150 Ų | 150 | 156.7 Ų | 156.7 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -69.3 | -31.3 | -177.9 | -164.9 | 150.7 | -129.9 | 0 | 0 | 112.6 | R98 R99 | E96-R98 PolarHBondContact O-N 3.17Å; E96-R99 PolarHBondContact O-N 3.29Å |
| 97 | Q | 42 | Very low | 36 | Very low | 178 Ų | 178 | 156.4 Ų | 156.4 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -62 | -7.5 | 174.4 | -158.3 | 174.8 | 12.4 | 0 | 0 | 113.9 | Q95 | Q95-Q97 VanDerWaalsContact C-N 3.33Å; Q95-Q97 PolarHBondContact O-N 3.42Å |
| 98 | R | 45.3 | Very low | 36.1 | Very low | 220 Ų | 220 | 152.7 Ų | 152.7 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -97.6 | -16.1 | 169.9 | -68.4 | -167.4 | 179.9 | -140.6 | 1.3 | 114.7 | Q95 E96 | Q95-R98 PolarHBondContact O-N 3.28Å; E96-R98 PolarHBondContact O-N 3.17Å |
| 99 | R | 37.2 | Very low | 36.2 | Very low | 209 Ų | 209 | 151.8 Ų | 151.8 | 79% | 0.789 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -9.2 | -176.9 | -76.7 | -165.4 | 69.9 | 146.5 | 0.8 | 115 | E96 | E96-R99 PolarHBondContact O-N 3.29Š|
| 100 | L | 36.3 | Very low | 36.5 | Very low | 148 Ų | 148 | 156.8 Ų | 156.8 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -6.7 | 179.3 | -78.1 | 164.1 | 0 | 0 | 0 | 114.5 | Q102 | L100-Q102 VanDerWaalsContact C-N 3.31Å; L100-Q102 PolarHBondContact O-N 3Å |
| 101 | S | 35.2 | Very low | 36.8 | Very low | 116 Ų | 116 | 158.1 Ų | 158.1 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -88.3 | 13.9 | -178 | -165.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 102 | Q | 37 | Very low | 37.2 | Very low | 184 Ų | 184 | 159 Ų | 159 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -145.2 | 34.3 | -167.6 | -155.9 | -179.4 | 14.4 | 0 | 0 | 113 | L100 | L100-Q102 VanDerWaalsContact C-N 3.31Å; L100-Q102 PolarHBondContact O-N 3Å |
| 103 | K | 37.1 | Very low | 37.3 | Very low | 172 Ų | 172 | 158.2 Ų | 158.2 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -131.5 | 16.3 | -170.9 | -131.5 | -169.9 | -179.6 | -164.9 | 0 | 117.4 | ||
| 104 | F | 35.2 | Very low | 37.1 | Very low | 221 Ų | 221 | 157.5 Ų | 157.5 | 97% | 0.969 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -139.1 | 64.1 | 170 | -73.5 | -71.7 | 0 | 0 | 0 | 110.7 | ||
| 105 | G | 29.7 | Very low | 37.2 | Very low | 64 Ų | 64 | 153.2 Ų | 153.2 | 66% | 0.66 | 80% | 0.796 | S | S | * | * | trans | -140.5 | 141.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 106 | S | 31.9 | Very low | 36.6 | Very low | 113 Ų | 113 | 149.6 Ų | 149.6 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 62.5 | 95.6 | 172.7 | -52.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 107 | H | 36.1 | Very low | 36.4 | Very low | 201 Ų | 201 | 150.3 Ų | 150.3 | 93% | 0.931 | 81% | 0.805 | S | S | * | * | trans | -131.9 | 153 | 134.5 | -83.9 | -74.9 | 0 | 0 | 0 | 108.1 | ||||
| 108 | S | 35.9 | Very low | 35.9 | Very low | 106 Ų | 106 | 145.6 Ų | 145.6 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -143.3 | 157.4 | -151.2 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 109 | N | 31.9 | Very low | 35.6 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 63% | 0.626 | 80% | 0.799 | S | S | * | * | trans | 21.5 | 118.9 | 167 | -66.7 | 51.8 | 0 | 0 | 0 | 119 | D111 | N109-D111 PolarHBondContact ND2-OD1 3.17Å; N109-D111 PolarHBondContact ND2-OD2 2.95Å | ||
| 110 | L | 41.2 | Very low | 35.4 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | -126.5 | 129.7 | 115.6 | -76.2 | 177.7 | 0 | 0 | 0 | 108.2 | |||||
| 111 | D | 36.9 | Very low | 35.4 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | trans | -96.6 | 139.1 | 175.5 | -50.4 | -101.3 | 0 | 0 | 0 | 108.7 | N109 | N109-D111 PolarHBondContact ND2-OD1 3.17Å; N109-D111 PolarHBondContact ND2-OD2 2.95Å | ||
| 112 | D | 37.6 | Very low | 35.1 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | -163.3 | 151.8 | 134.4 | -151.8 | 24.4 | 0 | 0 | 0 | 112.5 | ||||
| 113 | E | 37.7 | Very low | 35 | Very low | 181 Ų | 181 | 135.1 Ų | 135.1 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | 3 | 137.6 | 169.9 | -70.9 | -76.2 | 75.2 | 0 | 0 | 123 | ||||
| 114 | G | 32.9 | Very low | 34.8 | Very low | 67 Ų | 67 | 129.7 Ų | 129.7 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | trans | 134.1 | 83.8 | 145.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 115 | V | 37.9 | Very low | 34.9 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 92% | 0.915 | 80% | 0.802 | S | S | * | * | trans | 52.5 | 98.4 | 156.9 | -169.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 116 | G | 30.3 | Very low | 35.2 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -81.7 | 159.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 117 | I | 39.7 | Very low | 35.5 | Very low | 164 Ų | 164 | 129.7 Ų | 129.7 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | trans | -145.1 | 129.7 | 147.8 | -94.8 | 156.2 | 0 | 0 | 0 | 105.9 | ||||
| 118 | G | 31.1 | Very low | 35.6 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -81.4 | 132.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 119 | V | 39.3 | Very low | 35.6 | Very low | 115 Ų | 115 | 130 Ų | 130 | 70% | 0.697 | 80% | 0.795 | S | S | * | * | trans | -135.6 | 93 | 171.8 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | M121 | V119-M121 HydrophobicContact CG1-CG 4.26Š| ||
| 120 | G | 32.8 | Very low | 35.8 | Very low | 84 Ų | 84 | 133.5 Ų | 133.5 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -87.5 | 102.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G122 | G120-G122 PolarHBondContact O-N 2.94Š| ||
| 121 | M | 35.2 | Very low | 35.8 | Very low | 187 Ų | 187 | 127.9 Ų | 127.9 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -81.2 | 109.9 | 174.2 | -79 | -159.8 | 179.3 | 0 | 0 | 112 | V119 | V119-M121 HydrophobicContact CG1-CG 4.26Š| ||
| 122 | G | 30.4 | Very low | 36.1 | Very low | 67 Ų | 67 | 129.1 Ų | 129.1 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 171.1 | 120.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G120 | G120-G122 PolarHBondContact O-N 2.94Š|
| 123 | M | 33.8 | Very low | 36.2 | Very low | 204 Ų | 204 | 129.5 Ų | 129.5 | 100% | 1.005 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 50.2 | 104.7 | 173.4 | -57.5 | -164.4 | -175.3 | 0 | 0 | 117.2 | ||
| 124 | G | 33 | Very low | 36.4 | Very low | 58 Ų | 58 | 126.1 Ų | 126.1 | 60% | 0.598 | 75% | 0.754 | S | S | * | * | trans | -173.6 | -20.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | G126 L127 | G124-G126 PolarHBondContact O-N 3.39Å; G124-L127 PolarHBondContact O-N 3.49Å | ||
| 125 | M | 37.1 | Very low | 37.1 | Very low | 190 Ų | 190 | 127.5 Ų | 127.5 | 94% | 0.936 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 2.8 | -168.4 | -76.5 | -170.3 | 168.1 | 0 | 0 | 117.1 | ||
| 126 | G | 36.3 | Very low | 37.7 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -16.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | G124 | G124-G126 PolarHBondContact O-N 3.39Š|
| 127 | L | 39.3 | Very low | 38.6 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -23.2 | -167.8 | -69.2 | 170.5 | 0 | 0 | 0 | 115.1 | G124 M129 R130 | G124-L127 PolarHBondContact O-N 3.49Å; L127-M129 PolarHBondContact O-N 2.81Å; L127-R130 PolarHBondContact O-N 3.39Å; L127-R130 VanDerWaalsContact O-N 3.13Å |
| 128 | Q | 38.2 | Very low | 39 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 70% | 0.696 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -68.4 | -30.2 | -164.5 | -155.4 | 172.7 | 15.9 | 0 | 0 | 114.6 | R130 | Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 3.47Å |
| 129 | M | 35.2 | Very low | 39.8 | Very low | 164 Ų | 164 | 128.5 Ų | 128.5 | 81% | 0.808 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -69.9 | -23.2 | 176.3 | -70.9 | -68 | -90.6 | 0 | 0 | 113.3 | L127 | L127-M129 PolarHBondContact O-N 2.81Å |
| 130 | R | 35.6 | Very low | 40.2 | Very low | 191 Ų | 191 | 129.2 Ų | 129.2 | 72% | 0.721 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -82.5 | -31 | -177.2 | -167.1 | 164.5 | 168.7 | -178.6 | -5.5 | 112.3 | L127 Q128 K132 F133 Q134 | L127-R130 PolarHBondContact O-N 3.39Å; L127-R130 VanDerWaalsContact O-N 3.13Å; Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 3.47Å; R130-K132 PolarHBondContact O-N 2.77Å; R130-F133 PolarHBondContact O-N 3.11Å; R130-Q134 PolarHBondContact O-N 3.4Å |
| 131 | S | 41.4 | Very low | 41.2 | Very low | 66 Ų | 66 | 130.8 Ų | 130.8 | 46% | 0.462 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -65 | -35.3 | 178.3 | -174.3 | 0 | 0 | 0 | 0 | 113.3 | F133 Q134 N135 | S131-F133 VanDerWaalsContact C-N 3.34Å; S131-F133 PolarHBondContact O-N 3.48Å; S131-Q134 WeakPolarHBondContact O-CB 2.89Å; S131-Q134 PolarHBondContact O-N 3.49Å; S131-N135 PolarHBondContact O-N 3.44Å |
| 132 | K | 43.4 | Very low | 41.8 | Very low | 156 Ų | 156 | 128 Ų | 128 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.1 | -32.3 | -179.6 | -69.3 | -165.4 | 174.7 | -171.4 | 0 | 113.7 | R130 | R130-K132 PolarHBondContact O-N 2.77Å |
| 133 | F | 40.2 | Very low | 42.8 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 72% | 0.715 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -81.7 | -27.1 | 174.5 | -80 | -82.8 | 0 | 0 | 0 | 113.3 | R130 S131 R137 | R130-F133 PolarHBondContact O-N 3.11Å; S131-F133 VanDerWaalsContact C-N 3.34Å; S131-F133 PolarHBondContact O-N 3.48Å; F133-R137 PolarHBondContact O-N 3.49Å |
| 134 | Q | 41.4 | Very low | 43.4 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 52% | 0.519 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64 | -47.3 | 175.7 | -158.4 | 79.7 | 43.8 | 0 | 0 | 110.9 | R130 S131 I136 R137 Q138 | R130-Q134 PolarHBondContact O-N 3.4Å; S131-Q134 WeakPolarHBondContact O-CB 2.89Å; S131-Q134 PolarHBondContact O-N 3.49Å; Q134-I136 PolarHBondContact O-N 3.41Å; Q134-R137 PolarHBondContact O-N 3.1Å; Q134-Q138 WeakPolarHBondContact O-CG 3.24Å; Q134-Q138 PolarHBondContact O-N 2.81Å |
| 135 | N | 47.3 | Very low | 43.8 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -59.2 | -42 | 178.4 | -100.5 | -73.2 | 0 | 0 | 0 | 113.1 | S131 Q138 M139 | S131-N135 PolarHBondContact O-N 3.44Å; N135-Q138 PolarHBondContact O-N 3.42Å; N135-M139 WeakPolarHBondContact O-CB 3.45Å; N135-M139 PolarHBondContact O-N 3.49Å |
| 136 | I | 50.8 | Low | 44 | Very low | 92 Ų | 92 | 125.5 Ų | 125.5 | 47% | 0.472 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -66.8 | -41.2 | -179.5 | -64.1 | 171.2 | 0 | 0 | 0 | 110.8 | Q134 M139 F140 | Q134-I136 PolarHBondContact O-N 3.41Å; I136-M139 PolarHBondContact O-N 3.3Å; I136-F140 HydrophobicContact CG2-CD2 4.13Å; I136-F140 HydrophobicContact CG2-CE2 4.26Å; I136-F140 WeakPolarHBondContact O-CD2 3.39Å; I136-F140 PolarHBondContact O-N 3.41Å; I136-F140 VanDerWaalsContact O-N 3.14Å |
| 137 | R | 49.5 | Very low | 44.3 | Very low | 177 Ų | 177 | 128 Ų | 128 | 67% | 0.668 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.1 | -44.5 | 173.2 | -86.2 | -172.7 | 174.2 | -99.6 | -5.8 | 112.4 | F133 Q134 M139 F140 E141 | F133-R137 PolarHBondContact O-N 3.49Å; Q134-R137 PolarHBondContact O-N 3.1Å; R137-M139 VanDerWaalsContact C-N 3.3Å; R137-M139 PolarHBondContact O-N 3.3Å; R137-F140 PolarHBondContact O-N 3.02Å; R137-E141 WeakPolarHBondContact O-CB 3.5Å; R137-E141 WeakPolarHBondContact O-CG 3.34Å; R137-E141 PolarHBondContact O-N 3.04Å |
| 138 | Q | 47.4 | Very low | 44.1 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 45% | 0.453 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -63.5 | -35.4 | 177.7 | -70.5 | -176.2 | -85 | 0 | 0 | 112.5 | Q134 N135 E141 L142 | Q134-Q138 WeakPolarHBondContact O-CG 3.24Å; Q134-Q138 PolarHBondContact O-N 2.81Å; N135-Q138 PolarHBondContact O-N 3.42Å; Q138-E141 PolarHBondContact O-N 3.29Å; Q138-L142 WeakPolarHBondContact O-CB 3.27Å; Q138-L142 VanDerWaalsContact O-CG 3.24Å; Q138-L142 WeakPolarHBondContact O-CG 3.41Å; Q138-L142 PolarHBondContact O-N 3.14Å |
| 139 | M | 49.2 | Very low | 44 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 61% | 0.611 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -62.2 | -47.1 | 174 | -163.7 | -175.6 | -61.8 | 0 | 0 | 111.4 | N135 I136 R137 L142 S143 | N135-M139 WeakPolarHBondContact O-CB 3.45Å; N135-M139 PolarHBondContact O-N 3.49Å; I136-M139 PolarHBondContact O-N 3.3Å; R137-M139 VanDerWaalsContact C-N 3.3Å; R137-M139 PolarHBondContact O-N 3.3Å; M139-L142 PolarHBondContact O-N 2.83Å; M139-S143 PolarHBondContact O-N 3.31Å; M139-S143 PolarHBondContact O-OG 3.27Å |
| 140 | F | 47.6 | Very low | 43.9 | Very low | 130 Ų | 130 | 118.9 Ų | 118.9 | 57% | 0.57 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.1 | -34.1 | 176.3 | -87 | -81.9 | 0 | 0 | 0 | 113.8 | I136 R137 R144 | I136-F140 HydrophobicContact CG2-CD2 4.13Å; I136-F140 HydrophobicContact CG2-CE2 4.26Å; I136-F140 WeakPolarHBondContact O-CD2 3.39Å; I136-F140 PolarHBondContact O-N 3.41Å; I136-F140 VanDerWaalsContact O-N 3.14Å; R137-F140 PolarHBondContact O-N 3.02Å; F140-R144 WeakPolarHBondContact O-CB 3.39Å; F140-R144 VanDerWaalsContact O-CG 3.31Å; F140-R144 WeakPolarHBondContact O-CG 3.26Å; F140-R144 PolarHBondContact O-N 3.34Å |
| 141 | E | 53.2 | Low | 44 | Very low | 118 Ų | 118 | 114 Ų | 114 | 55% | 0.551 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.5 | -38.9 | 175.2 | -75 | 170.2 | 167.8 | 0 | 0 | 111.5 | R137 Q138 R144 S145 | R137-E141 WeakPolarHBondContact O-CB 3.5Å; R137-E141 WeakPolarHBondContact O-CG 3.34Å; R137-E141 PolarHBondContact O-N 3.04Å; Q138-E141 PolarHBondContact O-N 3.29Å; E141-R144 PolarHBondContact O-N 2.84Å; E141-S145 WeakPolarHBondContact O-CB 3.22Å; E141-S145 PolarHBondContact O-N 2.77Å |
| 142 | L | 47.5 | Very low | 43.7 | Very low | 129 Ų | 129 | 114 Ų | 114 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -66.4 | -45 | 173 | -71.5 | 168.7 | 0 | 0 | 0 | 111.8 | Q138 M139 R144 S145 | Q138-L142 WeakPolarHBondContact O-CB 3.27Å; Q138-L142 VanDerWaalsContact O-CG 3.24Å; Q138-L142 WeakPolarHBondContact O-CG 3.41Å; Q138-L142 PolarHBondContact O-N 3.14Å; M139-L142 PolarHBondContact O-N 2.83Å; L142-R144 VanDerWaalsContact C-N 3.27Å; L142-R144 PolarHBondContact O-N 2.97Å; L142-S145 PolarHBondContact O-N 3.01Å; L142-S145 VanDerWaalsContact O-N 3.13Å |
| 143 | S | 51.5 | Low | 43.5 | Very low | 76 Ų | 76 | 115.2 Ų | 115.2 | 53% | 0.531 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -66.9 | -22.1 | 176.8 | -64.3 | 0 | 0 | 0 | 0 | 114.4 | M139 C146 | M139-S143 PolarHBondContact O-N 3.31Å; M139-S143 PolarHBondContact O-OG 3.27Å; S143-C146 PolarHBondContact O-SG 3.38Å |
| 144 | R | 45.6 | Very low | 43.4 | Very low | 184 Ų | 184 | 111 Ų | 111 | 69% | 0.694 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -87.8 | -13.6 | 172.7 | -69.8 | 177.5 | 85.3 | 156.6 | 7.1 | 113.3 | F140 E141 L142 | F140-R144 WeakPolarHBondContact O-CB 3.39Å; F140-R144 VanDerWaalsContact O-CG 3.31Å; F140-R144 WeakPolarHBondContact O-CG 3.26Å; F140-R144 PolarHBondContact O-N 3.34Å; E141-R144 PolarHBondContact O-N 2.84Å; L142-R144 VanDerWaalsContact C-N 3.27Å; L142-R144 PolarHBondContact O-N 2.97Å |
| 145 | S | 42.4 | Very low | 43.2 | Very low | 105 Ų | 105 | 118 Ų | 118 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -2.4 | -177.4 | -168.6 | 0 | 0 | 0 | 0 | 114.6 | E141 L142 | E141-S145 WeakPolarHBondContact O-CB 3.22Å; E141-S145 PolarHBondContact O-N 2.77Å; L142-S145 PolarHBondContact O-N 3.01Å; L142-S145 VanDerWaalsContact O-N 3.13Å |
| 146 | C | 41.6 | Very low | 42.7 | Very low | 101 Ų | 101 | 117.6 Ų | 117.6 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 6.4 | -176.7 | 49.8 | 0 | 0 | 0 | 0 | 115 | S143 | S143-C146 PolarHBondContact O-SG 3.38Š|
| 147 | V | 42.5 | Very low | 41.9 | Very low | 129 Ų | 129 | 116.8 Ų | 116.8 | 78% | 0.782 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -125.4 | 87.8 | 174.1 | -173.5 | 0 | 0 | 0 | 0 | 109 | ||
| 148 | G | 34.3 | Very low | 41.2 | Very low | 86 Ų | 86 | 113.5 Ų | 113.5 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | trans | 177.4 | 53.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 149 | G | 35.7 | Very low | 40.7 | Very low | 83 Ų | 83 | 112.8 Ų | 112.8 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | trans | -160.5 | 116 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 150 | G | 35 | Very low | 40.2 | Very low | 82 Ų | 82 | 116 Ų | 116 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | 128.6 | 94.4 | 168 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 151 | G | 35.8 | Very low | 39.6 | Very low | 88 Ų | 88 | 118.6 Ų | 118.6 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | trans | 75 | 157.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 152 | G | 36.8 | Very low | 38.8 | Very low | 68 Ų | 68 | 121 Ų | 121 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | 168.5 | 115.7 | -9.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 153 | D | 38.5 | Very low | 38.4 | Very low | 180 Ų | 180 | 118.1 Ų | 118.1 | 96% | 0.963 | 80% | 0.795 | S | S | * | * | trans | 59.1 | 160.2 | 173.8 | -65.5 | -53.3 | 0 | 0 | 0 | 118.5 | ||||
| 154 | G | 37.5 | Very low | 37.5 | Very low | 75 Ų | 75 | 121.4 Ų | 121.4 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | 162.7 | -16.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 155 | R | 38.2 | Very low | 37 | Very low | 258 Ų | 258 | 120.6 Ų | 120.6 | 97% | 0.974 | 81% | 0.808 | S | S | * | * | trans | 40.5 | 112.2 | 169.8 | -80.7 | -176.2 | 159.8 | -153.3 | -3.5 | 120.5 | ||||
| 156 | G | 35.6 | Very low | 36.6 | Very low | 88 Ų | 88 | 120.1 Ų | 120.1 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | 105.7 | 141.8 | 140 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 157 | G | 34.2 | Very low | 36.1 | Very low | 74 Ų | 74 | 123.1 Ų | 123.1 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | cis | 170.6 | 157.1 | -9.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 158 | A | 35.6 | Very low | 35.8 | Very low | 108 Ų | 108 | 122.9 Ų | 122.9 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | 64.5 | 149.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 159 | A | 37.7 | Very low | 35.6 | Very low | 82 Ų | 82 | 123.5 Ų | 123.5 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | cis | -163.5 | 178.3 | -19.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 160 | E | 37 | Very low | 35.7 | Very low | 191 Ų | 191 | 126 Ų | 126 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | 69.7 | 145.9 | 167.6 | -58.3 | 172 | 160.7 | 0 | 0 | 116.1 | ||||
| 161 | E | 35.8 | Very low | 35.5 | Very low | 186 Ų | 186 | 130 Ų | 130 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | cis | -140.6 | 158.9 | 1 | -152.6 | -173.9 | 154.5 | 0 | 0 | 112.8 | ||||
| 162 | E | 36.6 | Very low | 35.6 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | trans | -66.1 | 176.9 | 166.5 | -92.2 | -176.6 | 104.8 | 0 | 0 | 113.7 | ||||
| 163 | A | 38.2 | Very low | 35.5 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 58% | 0.579 | 81% | 0.808 | S | S | * | * | cis | -159.3 | 168 | -6.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 164 | M | 34 | Very low | 35.2 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | trans | 24.2 | 123.6 | 141.4 | -61.5 | -169.4 | -77.1 | 0 | 0 | 120 | ||||
| 165 | Q | 34.2 | Very low | 35.1 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | cis | 111 | 133.7 | 47.2 | -88.5 | 176 | 57 | 0 | 0 | 113 | ||||
| 166 | S | 33.3 | Very low | 34.9 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | trans | 66.4 | 112.8 | 149.4 | 57.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 167 | L | 32.4 | Very low | 34.8 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | 68.6 | 167.5 | 125.9 | -60.5 | 177 | 0 | 0 | 0 | 120.7 | |||||
| 168 | P | 36.1 | Very low | 34.9 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | cis | -127 | -164.3 | -39.9 | 36 | -18.4 | 0 | 0 | 0 | 112.3 | ||||
| 169 | A | 28.9 | Very low | 34.9 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -102.1 | 156.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 170 | T | 38.8 | Very low | 34.7 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -139.9 | 142.3 | 172 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 171 | L | 30 | Very low | 34.4 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -90.1 | 157.2 | 160.9 | -94.3 | 102.8 | 0 | 0 | 0 | 109.9 | ||||
| 172 | P | 38.6 | Very low | 34.4 | Very low | 116 Ų | 116 | 151.7 Ų | 151.7 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | -150.1 | 153.2 | 102.4 | 38.4 | -21.8 | 0 | 0 | 0 | 117.3 | |||||
| 173 | Q | 35.2 | Very low | 34.4 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | 43.2 | 149.7 | 130.6 | -153.2 | 161 | -5.3 | 0 | 0 | 123.9 | ||||
| 174 | Q | 30.9 | Very low | 34.1 | Very low | 158 Ų | 158 | 152 Ų | 152 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -51.2 | 148.9 | 179.5 | -55.6 | 160.6 | -56.8 | 0 | 0 | 116 | ||||
| 175 | H | 35.4 | Very low | 34.4 | Very low | 192 Ų | 192 | 150.1 Ų | 150.1 | 89% | 0.889 | 77% | 0.774 | S | S | * | * | -154.2 | -168.2 | 118.9 | -113.1 | 76.7 | 0 | 0 | 0 | 112.9 | |||||
| 176 | Q | 34 | Very low | 34.4 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 72% | 0.724 | 78% | 0.777 | S | S | * | * | trans | -120.9 | 165.3 | -149.2 | -146.8 | -174.4 | 10.2 | 0 | 0 | 113.8 | ||||
| 177 | Q | 34.8 | Very low | 34.7 | Very low | 148 Ų | 148 | 150.6 Ų | 150.6 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | 73.9 | 124.8 | 157.8 | -76.4 | 177.3 | 4.5 | 0 | 0 | 122 | ||||
| 178 | Q | 34.8 | Very low | 34.7 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | 66.6 | 109.8 | 130.1 | -65.7 | -171.1 | -5 | 0 | 0 | 123.7 | ||||
| 179 | Q | 35.1 | Very low | 34.7 | Very low | 140 Ų | 140 | 144.8 Ų | 144.8 | 65% | 0.654 | 79% | 0.789 | S | S | * | * | 93.6 | 133.4 | 114.9 | -74.2 | -171.7 | 39.9 | 0 | 0 | 123.9 | |||||
| 180 | Q | 33.9 | Very low | 35 | Very low | 156 Ų | 156 | 146.2 Ų | 146.2 | 73% | 0.729 | 79% | 0.793 | S | S | * | * | trans | 81.9 | 100.8 | 142.8 | -71.4 | -174.9 | 70.9 | 0 | 0 | 124 | ||||
| 181 | R | 32.2 | Very low | 34.7 | Very low | 232 Ų | 232 | 150.7 Ų | 150.7 | 88% | 0.875 | 79% | 0.794 | S | S | * | * | trans | 41.3 | 126 | 131.6 | -56.6 | -173 | -175 | -155.2 | 6.3 | 122.9 | ||||
| 182 | R | 34.1 | Very low | 35 | Very low | 237 Ų | 237 | 150.6 Ų | 150.6 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | 176 | 117.6 | 127 | -95.6 | 172.2 | -176.8 | -132.4 | 1.8 | 108.9 | |||||
| 183 | T | 37.2 | Very low | 34.7 | Very low | 113 Ų | 113 | 153.2 Ų | 153.2 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | 74.1 | 98.9 | 75.4 | 61.8 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 184 | T | 32.1 | Very low | 34.5 | Very low | 130 Ų | 130 | 153.9 Ų | 153.9 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | 39.8 | 162.5 | 119.9 | 50.8 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 185 | P | 40.8 | Very low | 34.5 | Very low | 106 Ų | 106 | 153.9 Ų | 153.9 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | cis | -142.5 | 175.9 | -13.4 | 34.2 | -11.4 | 0 | 0 | 0 | 118.1 | ||||
| 186 | I | 33.9 | Very low | 34.4 | Very low | 169 Ų | 169 | 152.8 Ų | 152.8 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | 26.9 | 134.6 | 139.3 | -55 | 165.4 | 0 | 0 | 0 | 122.4 | ||||
| 187 | A | 38.6 | Very low | 34.3 | Very low | 103 Ų | 103 | 153 Ų | 153 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -152.1 | 168.9 | 151.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 188 | G | 32.8 | Very low | 34.1 | Very low | 84 Ų | 84 | 154.5 Ų | 154.5 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | 178.1 | 173.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 189 | G | 35.9 | Very low | 34.2 | Very low | 82 Ų | 82 | 150.8 Ų | 150.8 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 111.9 | 167.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 190 | S | 35 | Very low | 33.8 | Very low | 128 Ų | 128 | 153.9 Ų | 153.9 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | cis | -160.6 | 144.8 | -25.9 | -160.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 191 | R | 34.2 | Very low | 33.8 | Very low | 230 Ų | 230 | 151.4 Ų | 151.4 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | -33.2 | 142.9 | 177.4 | -175.3 | -168.8 | -160.1 | -167.5 | 6.4 | 121.6 | ||||
| 192 | H | 36 | Very low | 33.6 | Very low | 164 Ų | 164 | 149.3 Ų | 149.3 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | trans | -172.6 | 164.5 | 149.8 | -105.2 | 61.4 | 0 | 0 | 0 | 108.8 | ||||
| 193 | Q | 31.3 | Very low | 33.5 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | cis | -165.4 | -163.8 | -23.3 | -144.5 | -169.6 | 2 | 0 | 0 | 110.9 | ||||
| 194 | Q | 32.5 | Very low | 33.2 | Very low | 186 Ų | 186 | 146.8 Ų | 146.8 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | 79.3 | 163.1 | 165.4 | -140.3 | 157.5 | 15.4 | 0 | 0 | 120.4 | ||||
| 195 | Q | 29.3 | Very low | 33.1 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 74% | 0.738 | 83% | 0.825 | S | S | * | * | -161.9 | 167 | -121.4 | -174.6 | -178.8 | -4.9 | 0 | 0 | 115.2 | |||||
| 196 | Q | 33.7 | Very low | 32.8 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | trans | 100.7 | 153.2 | 162.1 | -58.4 | 178.7 | 10.1 | 0 | 0 | 117.3 | ||||
| 197 | Q | 31.2 | Very low | 32.7 | Very low | 160 Ų | 160 | 144 Ų | 144 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | cis | -166.8 | 173.1 | -44 | -145.1 | 170.9 | 11.4 | 0 | 0 | 110.4 | ||||
| 198 | M | 32.3 | Very low | 32.6 | Very low | 179 Ų | 179 | 148 Ų | 148 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | 72.8 | 144.7 | 177.6 | -48.1 | -65 | -80.9 | 0 | 0 | 115.4 | ||||
| 199 | G | 36.5 | Very low | 32.9 | Very low | 70 Ų | 70 | 151.5 Ų | 151.5 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | cis | -157 | 177.1 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 200 | E | 27.5 | Very low | 33 | Very low | 206 Ų | 206 | 158.5 Ų | 158.5 | 96% | 0.963 | 82% | 0.819 | S | S | * | * | trans | -104.8 | 150.4 | -157.9 | -59.8 | 169.8 | 125.5 | 0 | 0 | 116.3 | ||||
| 201 | A | 33 | Very low | 33 | Very low | 104 Ų | 104 | 157.8 Ų | 157.8 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -159.4 | 143.6 | 153 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 202 | E | 27.7 | Very low | 33.2 | Very low | 188 Ų | 188 | 153.4 Ų | 153.4 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -84.3 | 142.7 | -178.2 | -65.1 | 175.6 | 73.6 | 0 | 0 | 113.6 | ||||
| 203 | Q | 31.2 | Very low | 33.2 | Very low | 179 Ų | 179 | 147.7 Ų | 147.7 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | -169.3 | 125.6 | 123.3 | -106.7 | 166.1 | 44.9 | 0 | 0 | 114.8 | |||||
| 204 | T | 31.1 | Very low | 33.3 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 72% | 0.724 | 78% | 0.781 | S | S | * | * | trans | 41.6 | 121.2 | 144.9 | 57.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 205 | S | 31.4 | Very low | 33.7 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | trans | 71 | 116.3 | 136 | -56.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 206 | G | 33 | Very low | 34.1 | Very low | 62 Ų | 62 | 138.9 Ų | 138.9 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | trans | 166.7 | 64.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | F208 | G206-F208 PolarHBondContact O-N 2.9Š| ||
| 207 | N | 33.2 | Very low | 34.2 | Very low | 160 Ų | 160 | 136.1 Ų | 136.1 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | trans | -72.9 | 91.9 | 172.9 | -89.2 | -21.9 | 0 | 0 | 0 | 111.8 | ||||
| 208 | F | 36.1 | Very low | 34.6 | Very low | 185 Ų | 185 | 131.2 Ų | 131.2 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | trans | -111.5 | 107.1 | 170.8 | -80.9 | -79.3 | 0 | 0 | 0 | 112.7 | G206 | G206-F208 PolarHBondContact O-N 2.9Š| ||
| 209 | L | 38.4 | Very low | 34.7 | Very low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 150.9 | 173.9 | -88.4 | 60 | 0 | 0 | 0 | 111 | ||
| 210 | R | 38.6 | Very low | 35 | Very low | 229 Ų | 229 | 133 Ų | 133 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 144.3 | -173.7 | -54.3 | -178.9 | -164.9 | 153.5 | 4.2 | 112.7 | I212 | R210-I212 PolarHBondContact O-N 2.77Š|
| 211 | P | 35.9 | Very low | 35.9 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 123.7 | 171.2 | -24.6 | 34.3 | 0 | 0 | 0 | 112.9 | A213 | P211-A213 PolarHBondContact O-N 2.96Š|
| 212 | I | 38.4 | Very low | 36.3 | Very low | 137 Ų | 137 | 126 Ų | 126 | 70% | 0.703 | 66% | 0.661 | S | S | * | * | trans | -84.8 | 97.8 | 173.1 | -58.9 | 178.1 | 0 | 0 | 0 | 108.4 | R210 F214 | R210-I212 PolarHBondContact O-N 2.77Å; I212-F214 HydrophobicContact CB-CE2 4.29Å; I212-F214 HydrophobicContact CG2-CD2 4.01Å; I212-F214 HydrophobicContact CG2-CE2 3.65Å; I212-F214 HydrophobicContact CG2-CZ 4.3Å; I212-F214 WeakPolarHBondContact O-CD2 3.24Å; I212-F214 PolarHBondContact O-N 3.19Å | ||
| 213 | A | 35.7 | Very low | 37.4 | Very low | 45 Ų | 45 | 125.1 Ų | 125.1 | 37% | 0.372 | 65% | 0.651 | S | S | . | * | trans | -68.6 | 99.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.9 | P211 F432 | P211-A213 PolarHBondContact O-N 2.96Å; A213-F432 HydrophobicContact CB-CE1 4.48Å; A213-F432 HydrophobicContact CB-CE2 3.92Å; A213-F432 HydrophobicContact CB-CZ 3.84Å; A213-F432 WeakPolarHBondContact O-CZ 3.25Å | ||
| 214 | F | 33.1 | Very low | 38.4 | Very low | 161 Ų | 161 | 124.6 Ų | 124.6 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | trans | -75.1 | 125.6 | 176.2 | -87.3 | -88.1 | 0 | 0 | 0 | 111.9 | I212 P216 | I212-F214 HydrophobicContact CB-CE2 4.29Å; I212-F214 HydrophobicContact CG2-CD2 4.01Å; I212-F214 HydrophobicContact CG2-CE2 3.65Å; I212-F214 HydrophobicContact CG2-CZ 4.3Å; I212-F214 WeakPolarHBondContact O-CD2 3.24Å; I212-F214 PolarHBondContact O-N 3.19Å; F214-P216 WeakPolarHBondContact O-CD 3.35Å | ||
| 215 | K | 41.1 | Very low | 39.6 | Very low | 102 Ų | 102 | 123.3 Ų | 123.3 | 44% | 0.443 | 63% | 0.629 | S | S | . | * | trans | -76.3 | 114.5 | 179.3 | -87.6 | -171.4 | 172 | 177.9 | 0 | 111.5 | I217 F432 Q436 E439 | K215-I217 PolarHBondContact O-N 3.44Å; K215-F432 HydrophobicContact CB-CZ 4.22Å; K215-F432 HydrophobicContact CG-CE1 4.15Å; K215-F432 HydrophobicContact CG-CE2 3.87Å; K215-F432 HydrophobicContact CG-CZ 3.41Å; K215-F432 VanDerWaalsContact CG-CZ 3.41Å; K215-Q436 VanDerWaalsContact CB-OE1 3.26Å; K215-Q436 HydrophobicContact CD-CG 4.08Å; K215-Q436 HydrophobicContact CG-CG 4.4Å; K215-E439 IonicContact NZ-OE2 2.81Å; K215-E439 PolarHBondContact NZ-OE2 2.87Å | ||
| 216 | P | 36.6 | Very low | 40.8 | Very low | 67 Ų | 67 | 120.2 Ų | 120.2 | 44% | 0.435 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 122.4 | 176.4 | 26.5 | -35.1 | 0 | 0 | 0 | 110.7 | F214 P218 Y433 Q436 | F214-P216 WeakPolarHBondContact O-CD 3.35Å; P216-P218 WeakPolarHBondContact O-CD 3.26Å; P216-Y433 VanDerWaalsContact CD-CE1 3.41Å; P216-Y433 HydrophobicContact CG-CD1 3.66Å; P216-Y433 HydrophobicContact CG-CE1 3.39Å; P216-Q436 VanDerWaalsContact CD-OE1 3.32Å; P216-Q436 PolarHBondContact O-NE2 2.94Å; P216-Q436 PolarHBondContact O-OE1 2.89Å |
| 217 | I | 37.2 | Very low | 42.2 | Very low | 109 Ų | 109 | 120.9 Ų | 120.9 | 56% | 0.559 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 124.5 | -177.2 | -60.7 | 168.7 | 0 | 0 | 0 | 109.2 | K215 F219 | K215-I217 PolarHBondContact O-N 3.44Å; I217-F219 PolarHBondContact O-N 2.78Å |
| 218 | P | 39.3 | Very low | 43.8 | Very low | 58 Ų | 58 | 118.9 Ų | 118.9 | 38% | 0.377 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 136.3 | 176.8 | -25 | 36.9 | 0 | 0 | 0 | 111.6 | P216 E220 C440 | P216-P218 WeakPolarHBondContact O-CD 3.26Å; P218-E220 PolarHBondContact O-N 2.73Å; P218-C440 HydrophobicContact CB-CB 4.46Å; P218-C440 HydrophobicContact CG-CB 3.88Å |
| 219 | F | 33.1 | Very low | 45.4 | Very low | 173 Ų | 173 | 116.8 Ų | 116.8 | 76% | 0.759 | 58% | 0.584 | S | S | * | * | trans | -73.1 | 113 | 169.8 | -81.8 | -104.3 | 0 | 0 | 0 | 109.5 | I217 P221 A647 | I217-F219 PolarHBondContact O-N 2.78Å; F219-P221 WeakPolarHBondContact O-CD 3.42Å; F219-A647 HydrophobicContact CE1-CB 4.43Å; F219-A647 HydrophobicContact CZ-CB 4.13Å | ||
| 220 | E | 43.6 | Very low | 47.1 | Very low | 114 Ų | 114 | 115.8 Ų | 115.8 | 53% | 0.533 | 58% | 0.575 | S | S | . | * | trans | -86.1 | 119.5 | 153.2 | -79.1 | -171 | 165.3 | 0 | 0 | 108.5 | P218 | P218-E220 PolarHBondContact O-N 2.73Š| ||
| 221 | P | 45.6 | Very low | 48.8 | Very low | 76 Ų | 76 | 110.8 Ų | 110.8 | 49% | 0.494 | 56% | 0.561 | S | S | . | * | trans | -63.1 | 131.9 | 153.8 | -12.4 | 28.1 | 0 | 0 | 0 | 108 | F219 Y223 | F219-P221 WeakPolarHBondContact O-CD 3.42Å; P221-Y223 HydrophobicContact CB-CD2 4.22Å; P221-Y223 HydrophobicContact CB-CE2 3.92Å; P221-Y223 HydrophobicContact CG-CE2 3.8Å; P221-Y223 WeakPolarHBondContact O-CD2 3.45Å; P221-Y223 PolarHBondContact O-N 2.7Å | ||
| 222 | D | 42.7 | Very low | 50.5 | Low | 85 Ų | 85 | 110.8 Ų | 110.8 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | trans | -76.6 | 78.4 | 178.5 | -156.1 | -29.9 | 0 | 0 | 0 | 110.5 | R224 I225 | D222-R224 PolarHBondContact O-N 3.48Å; D222-R224 VanDerWaalsContact OD1-CB 3.31Å; D222-R224 WeakPolarHBondContact OD1-CB 3.44Å; D222-R224 WeakPolarHBondContact OD1-CG 3.48Å; D222-R224 IonicContact OD1-CZ 3.38Å; D222-R224 PolarHBondContact OD1-N 2.71Å; D222-R224 IonicContact OD1-NE 3.58Å; D222-R224 PolarHBondContact OD1-NE 3.36Å; D222-R224 IonicContact OD1-NH2 2.62Å; D222-R224 PolarHBondContact OD1-NH2 3.46Å; D222-R224 IonicContact OD2-CZ 3.67Å; D222-R224 IonicContact OD2-NE 3.6Å; D222-R224 IonicContact OD2-NH2 2.82Å; D222-R224 PolarHBondContact OD2-NH2 2.8Å; D222-I225 PolarHBondContact O-N 3.33Å | ||
| 223 | Y | 49.5 | Very low | 52.2 | Low | 171 Ų | 171 | 109.5 Ų | 109.5 | 67% | 0.671 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -55.8 | -12.5 | -179.4 | -75.2 | -78.8 | 0 | 0 | 0 | 113.6 | P221 I225 A226 C227 | P221-Y223 HydrophobicContact CB-CD2 4.22Å; P221-Y223 HydrophobicContact CB-CE2 3.92Å; P221-Y223 HydrophobicContact CG-CE2 3.8Å; P221-Y223 WeakPolarHBondContact O-CD2 3.45Å; P221-Y223 PolarHBondContact O-N 2.7Å; Y223-I225 VanDerWaalsContact C-N 3.33Å; Y223-I225 PolarHBondContact O-N 3Å; Y223-A226 PolarHBondContact O-N 2.87Å; Y223-C227 VanDerWaalsContact O-CB 3.23Å; Y223-C227 WeakPolarHBondContact O-CB 3.43Å; Y223-C227 PolarHBondContact O-N 3.06Å |
| 224 | R | 53 | Low | 54.1 | Low | 168 Ų | 168 | 113.8 Ų | 113.8 | 63% | 0.634 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.8 | -35.4 | 177.8 | -65.1 | 179.2 | -69.9 | -167.7 | -0.6 | 112.5 | D222 C227 Q228 | D222-R224 PolarHBondContact O-N 3.48Å; D222-R224 VanDerWaalsContact OD1-CB 3.31Å; D222-R224 WeakPolarHBondContact OD1-CB 3.44Å; D222-R224 WeakPolarHBondContact OD1-CG 3.48Å; D222-R224 IonicContact OD1-CZ 3.38Å; D222-R224 PolarHBondContact OD1-N 2.71Å; D222-R224 IonicContact OD1-NE 3.58Å; D222-R224 PolarHBondContact OD1-NE 3.36Å; D222-R224 IonicContact OD1-NH2 2.62Å; D222-R224 PolarHBondContact OD1-NH2 3.46Å; D222-R224 IonicContact OD2-CZ 3.67Å; D222-R224 IonicContact OD2-NE 3.6Å; D222-R224 IonicContact OD2-NH2 2.82Å; D222-R224 PolarHBondContact OD2-NH2 2.8Å; R224-C227 PolarHBondContact O-N 3.45Å; R224-Q228 WeakPolarHBondContact O-CB 3.36Å; R224-Q228 PolarHBondContact O-N 3.06Å |
| 225 | I | 55.9 | Low | 56.2 | Low | 91 Ų | 91 | 112.2 Ų | 112.2 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.4 | -46.9 | 177 | -58.1 | 179.8 | 0 | 0 | 0 | 110 | D222 Y223 C227 Q228 Q229 | D222-I225 PolarHBondContact O-N 3.33Å; Y223-I225 VanDerWaalsContact C-N 3.33Å; Y223-I225 PolarHBondContact O-N 3Å; I225-C227 PolarHBondContact O-N 3.18Å; I225-Q228 PolarHBondContact O-N 3.47Å; I225-Q229 VanDerWaalsContact O-CB 3.28Å; I225-Q229 WeakPolarHBondContact O-CB 3.26Å; I225-Q229 PolarHBondContact O-N 3.43Å |
| 226 | A | 57 | Low | 57.9 | Low | 60 Ų | 60 | 113.7 Ų | 113.7 | 50% | 0.496 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.3 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y223 Q230 | Y223-A226 PolarHBondContact O-N 2.87Å; A226-Q230 VanDerWaalsContact O-CB 3.24Å; A226-Q230 WeakPolarHBondContact O-CB 3.47Å; A226-Q230 PolarHBondContact O-N 3.17Å |
| 227 | C | 61.4 | Low | 60 | Low | 75 Ų | 75 | 115 Ų | 115 | 51% | 0.507 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.6 | -39.3 | 178.8 | -170.4 | 0 | 0 | 0 | 0 | 112.3 | Y223 R224 I225 Q230 Q231 | Y223-C227 VanDerWaalsContact O-CB 3.23Å; Y223-C227 WeakPolarHBondContact O-CB 3.43Å; Y223-C227 PolarHBondContact O-N 3.06Å; R224-C227 PolarHBondContact O-N 3.45Å; I225-C227 PolarHBondContact O-N 3.18Å; C227-Q230 PolarHBondContact O-N 3.24Å; C227-Q231 VanDerWaalsContact O-CB 3.31Å; C227-Q231 WeakPolarHBondContact O-CB 3.33Å; C227-Q231 PolarHBondContact O-N 3.29Å |
| 228 | Q | 67 | Low | 61.9 | Low | 119 Ų | 119 | 116.7 Ų | 116.7 | 56% | 0.556 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -72.4 | -38.4 | 177.8 | -171.5 | 162.2 | 37.2 | 0 | 0 | 112.1 | R224 I225 Q231 Q232 | R224-Q228 WeakPolarHBondContact O-CB 3.36Å; R224-Q228 PolarHBondContact O-N 3.06Å; I225-Q228 PolarHBondContact O-N 3.47Å; Q228-Q231 PolarHBondContact O-N 2.97Å; Q228-Q232 WeakPolarHBondContact O-CG 3.12Å; Q228-Q232 PolarHBondContact O-N 2.92Å |
| 229 | Q | 69.4 | Low | 63.6 | Low | 141 Ų | 141 | 118.3 Ų | 118.3 | 66% | 0.659 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.6 | -41.6 | 171.8 | -171.4 | 178.3 | 94.4 | 0 | 0 | 111.2 | I225 Q231 Q232 H233 | I225-Q229 VanDerWaalsContact O-CB 3.28Å; I225-Q229 WeakPolarHBondContact O-CB 3.26Å; I225-Q229 PolarHBondContact O-N 3.43Å; Q229-Q231 VanDerWaalsContact C-N 3.35Å; Q229-Q231 PolarHBondContact O-N 3.41Å; Q229-Q232 PolarHBondContact O-N 2.98Å; Q229-H233 WeakPolarHBondContact O-CB 3.37Å; Q229-H233 PolarHBondContact O-N 2.86Å |
| 230 | Q | 74.6 | Confident | 65.7 | Low | 137 Ų | 137 | 116 Ų | 116 | 64% | 0.64 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.3 | -40.3 | 173 | -172.8 | 179.2 | 39.1 | 0 | 0 | 111.9 | A226 C227 H233 Q234 | A226-Q230 VanDerWaalsContact O-CB 3.24Å; A226-Q230 WeakPolarHBondContact O-CB 3.47Å; A226-Q230 PolarHBondContact O-N 3.17Å; C227-Q230 PolarHBondContact O-N 3.24Å; Q230-H233 PolarHBondContact O-N 3.3Å; Q230-Q234 WeakPolarHBondContact O-CB 3.45Å; Q230-Q234 PolarHBondContact O-N 3.31Å |
| 231 | Q | 73.9 | Confident | 67.6 | Low | 123 Ų | 123 | 116.2 Ų | 116.2 | 58% | 0.575 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67.9 | -42.4 | 177 | -176.9 | 171.7 | 73.3 | 0 | 0 | 112.3 | C227 Q228 Q229 Q234 Q235 | C227-Q231 VanDerWaalsContact O-CB 3.31Å; C227-Q231 WeakPolarHBondContact O-CB 3.33Å; C227-Q231 PolarHBondContact O-N 3.29Å; Q228-Q231 PolarHBondContact O-N 2.97Å; Q229-Q231 VanDerWaalsContact C-N 3.35Å; Q229-Q231 PolarHBondContact O-N 3.41Å; Q231-Q234 PolarHBondContact O-N 3.42Å; Q231-Q235 WeakPolarHBondContact O-CB 3.46Å; Q231-Q235 PolarHBondContact O-N 2.87Å |
| 232 | Q | 71.8 | Confident | 69.2 | Low | 114 Ų | 114 | 118.5 Ų | 118.5 | 53% | 0.533 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.8 | -43 | 172.6 | -77.3 | -173.3 | -12.2 | 0 | 0 | 111.5 | Q228 Q229 Q235 Q236 | Q228-Q232 WeakPolarHBondContact O-CG 3.12Å; Q228-Q232 PolarHBondContact O-N 2.92Å; Q229-Q232 PolarHBondContact O-N 2.98Å; Q232-Q235 PolarHBondContact O-N 2.87Å; Q232-Q236 WeakPolarHBondContact O-CB 3.35Å; Q232-Q236 PolarHBondContact O-N 3.47Å |
| 233 | H | 74.4 | Confident | 70.8 | Confident | 111 Ų | 111 | 120.2 Ų | 120.2 | 51% | 0.514 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62 | -45.4 | 176.2 | -175.1 | 69.3 | 0 | 0 | 0 | 111.6 | Q229 Q230 Q235 Q236 L237 | Q229-H233 WeakPolarHBondContact O-CB 3.37Å; Q229-H233 PolarHBondContact O-N 2.86Å; Q230-H233 PolarHBondContact O-N 3.3Å; H233-Q235 PolarHBondContact O-N 2.84Å; H233-Q236 PolarHBondContact O-N 3.26Å; H233-L237 WeakPolarHBondContact O-CB 3.48Å; H233-L237 PolarHBondContact O-N 3.37Å |
| 234 | Q | 75.8 | Confident | 72.3 | Confident | 134 Ų | 134 | 117.9 Ų | 117.9 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.9 | -41.5 | 175.8 | -176.3 | 177.1 | 89.3 | 0 | 0 | 112.2 | Q230 Q231 L237 Q238 | Q230-Q234 WeakPolarHBondContact O-CB 3.45Å; Q230-Q234 PolarHBondContact O-N 3.31Å; Q231-Q234 PolarHBondContact O-N 3.42Å; Q234-L237 WeakPolarHBondContact O-CB 3.47Å; Q234-L237 PolarHBondContact O-N 2.9Å; Q234-Q238 WeakPolarHBondContact O-CB 3.34Å; Q234-Q238 PolarHBondContact O-N 3.31Å |
| 235 | Q | 77.5 | Confident | 73.7 | Confident | 128 Ų | 128 | 115.5 Ų | 115.5 | 60% | 0.598 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.7 | -40.1 | 176.4 | -173.2 | 174.7 | 96.6 | 0 | 0 | 111.9 | Q231 Q232 H233 Q238 L239 | Q231-Q235 WeakPolarHBondContact O-CB 3.46Å; Q231-Q235 PolarHBondContact O-N 2.87Å; Q232-Q235 PolarHBondContact O-N 2.87Å; H233-Q235 PolarHBondContact O-N 2.84Å; Q235-Q238 PolarHBondContact O-N 3.42Å; Q235-L239 PolarHBondContact O-N 3Å |
| 236 | Q | 77.6 | Confident | 74.7 | Confident | 133 Ų | 133 | 115.5 Ų | 115.5 | 62% | 0.621 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.6 | -39.7 | 173.7 | -172.3 | 179.3 | 96.8 | 0 | 0 | 111.7 | Q232 H233 L239 Q240 | Q232-Q236 WeakPolarHBondContact O-CB 3.35Å; Q232-Q236 PolarHBondContact O-N 3.47Å; H233-Q236 PolarHBondContact O-N 3.26Å; Q236-L239 PolarHBondContact O-N 3.44Å; Q236-Q240 WeakPolarHBondContact O-CB 3.31Å; Q236-Q240 PolarHBondContact O-N 2.99Å |
| 237 | L | 79.4 | Confident | 75.6 | Confident | 95 Ų | 95 | 118.3 Ų | 118.3 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.8 | -41.9 | 175.4 | -137.7 | 74.7 | 0 | 0 | 0 | 111.8 | H233 Q234 Q240 Q241 | H233-L237 WeakPolarHBondContact O-CB 3.48Å; H233-L237 PolarHBondContact O-N 3.37Å; Q234-L237 WeakPolarHBondContact O-CB 3.47Å; Q234-L237 PolarHBondContact O-N 2.9Å; L237-Q240 PolarHBondContact O-N 3.41Å; L237-Q241 PolarHBondContact O-N 3.41Å |
| 238 | Q | 77.5 | Confident | 76.6 | Confident | 145 Ų | 145 | 120 Ų | 120 | 68% | 0.678 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -65.2 | -41.6 | 176.4 | -174 | 169.2 | 59.5 | 0 | 0 | 111.8 | Q234 Q235 Q240 Q241 Q242 | Q234-Q238 WeakPolarHBondContact O-CB 3.34Å; Q234-Q238 PolarHBondContact O-N 3.31Å; Q235-Q238 PolarHBondContact O-N 3.42Å; Q238-Q240 VanDerWaalsContact C-N 3.34Å; Q238-Q240 PolarHBondContact O-N 2.92Å; Q238-Q241 PolarHBondContact O-N 3.45Å; Q238-Q242 WeakPolarHBondContact O-CB 3.47Å; Q238-Q242 PolarHBondContact O-N 3.24Å |
| 239 | L | 74.7 | Confident | 77.2 | Confident | 91 Ų | 91 | 120.8 Ų | 120.8 | 48% | 0.476 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.2 | -38.8 | 175.3 | -144.6 | 79.7 | 0 | 0 | 0 | 111.9 | Q235 Q236 Q243 | Q235-L239 PolarHBondContact O-N 3Å; Q236-L239 PolarHBondContact O-N 3.44Å; L239-Q243 WeakPolarHBondContact O-CB 3.34Å; L239-Q243 PolarHBondContact O-N 2.99Å |
| 240 | Q | 78.4 | Confident | 77.5 | Confident | 125 Ų | 125 | 117.1 Ų | 117.1 | 58% | 0.584 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.9 | -41.5 | 175.1 | -175.5 | 171.9 | 105.8 | 0 | 0 | 111.9 | Q236 L237 Q238 Q243 Q244 | Q236-Q240 WeakPolarHBondContact O-CB 3.31Å; Q236-Q240 PolarHBondContact O-N 2.99Å; L237-Q240 PolarHBondContact O-N 3.41Å; Q238-Q240 VanDerWaalsContact C-N 3.34Å; Q238-Q240 PolarHBondContact O-N 2.92Å; Q240-Q243 PolarHBondContact O-N 2.9Å; Q240-Q244 WeakPolarHBondContact O-CB 3.5Å; Q240-Q244 PolarHBondContact O-N 2.85Å |
| 241 | Q | 82.2 | Confident | 77.8 | Confident | 118 Ų | 118 | 116.3 Ų | 116.3 | 55% | 0.551 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.3 | -40.8 | 176.7 | -164.8 | -173.1 | 110.8 | 0 | 0 | 111.9 | L237 Q238 Q244 Q245 | L237-Q241 PolarHBondContact O-N 3.41Å; Q238-Q241 PolarHBondContact O-N 3.45Å; Q241-Q244 PolarHBondContact O-N 3.48Å; Q241-Q245 PolarHBondContact O-N 2.89Å |
| 242 | Q | 78.9 | Confident | 78.2 | Confident | 125 Ų | 125 | 116.6 Ų | 116.6 | 58% | 0.584 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 174.6 | -177.6 | 179.1 | 67.1 | 0 | 0 | 111.7 | Q238 Q244 Q245 Q246 | Q238-Q242 WeakPolarHBondContact O-CB 3.47Å; Q238-Q242 PolarHBondContact O-N 3.24Å; Q242-Q244 VanDerWaalsContact C-N 3.3Å; Q242-Q244 PolarHBondContact O-N 2.82Å; Q242-Q245 PolarHBondContact O-N 3.29Å; Q242-Q246 PolarHBondContact O-N 3.39Å |
| 243 | Q | 77.5 | Confident | 78.5 | Confident | 120 Ų | 120 | 116.6 Ų | 116.6 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63 | -36.7 | 175.5 | -173.5 | 171.7 | 91.7 | 0 | 0 | 111.9 | L239 Q240 Q247 | L239-Q243 WeakPolarHBondContact O-CB 3.34Å; L239-Q243 PolarHBondContact O-N 2.99Å; Q240-Q243 PolarHBondContact O-N 2.9Å; Q243-Q247 WeakPolarHBondContact O-CB 3.33Å; Q243-Q247 PolarHBondContact O-N 3.44Å |
| 244 | Q | 81.2 | Confident | 78.6 | Confident | 123 Ų | 123 | 117 Ų | 117 | 58% | 0.575 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.4 | -40.1 | 175.3 | -171.5 | 172.1 | 47.8 | 0 | 0 | 112.7 | Q240 Q241 Q242 Q247 Q248 | Q240-Q244 WeakPolarHBondContact O-CB 3.5Å; Q240-Q244 PolarHBondContact O-N 2.85Å; Q241-Q244 PolarHBondContact O-N 3.48Å; Q242-Q244 VanDerWaalsContact C-N 3.3Å; Q242-Q244 PolarHBondContact O-N 2.82Å; Q244-Q247 PolarHBondContact O-N 3.5Å; Q244-Q248 PolarHBondContact O-N 3.07Å |
| 245 | Q | 81.6 | Confident | 78.8 | Confident | 117 Ų | 117 | 115.5 Ų | 115.5 | 55% | 0.547 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 173 | -77.1 | -174.5 | -1.3 | 0 | 0 | 111.9 | Q241 Q242 Q247 Q248 Q249 | Q241-Q245 PolarHBondContact O-N 2.89Å; Q242-Q245 PolarHBondContact O-N 3.29Å; Q245-Q247 VanDerWaalsContact C-N 3.28Å; Q245-Q247 PolarHBondContact O-N 3.11Å; Q245-Q248 PolarHBondContact O-N 2.99Å; Q245-Q248 VanDerWaalsContact O-N 3.17Å; Q245-Q249 PolarHBondContact O-N 3.43Å |
| 246 | Q | 76.7 | Confident | 78.9 | Confident | 92 Ų | 92 | 116.3 Ų | 116.3 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.8 | -37.9 | 177.4 | -172.3 | 174.4 | 82.4 | 0 | 0 | 111.6 | Q242 Q249 Q250 | Q242-Q246 PolarHBondContact O-N 3.39Å; Q246-Q249 PolarHBondContact O-N 3.47Å; Q246-Q250 PolarHBondContact O-N 3.46Å |
| 247 | Q | 77.1 | Confident | 78.8 | Confident | 118 Ų | 118 | 111.8 Ų | 111.8 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.5 | -36.2 | 175.3 | -163.2 | 163.2 | 93.6 | 0 | 0 | 112.4 | Q243 Q244 Q245 Q251 | Q243-Q247 WeakPolarHBondContact O-CB 3.33Å; Q243-Q247 PolarHBondContact O-N 3.44Å; Q244-Q247 PolarHBondContact O-N 3.5Å; Q245-Q247 VanDerWaalsContact C-N 3.28Å; Q245-Q247 PolarHBondContact O-N 3.11Å; Q247-Q251 PolarHBondContact O-N 2.99Å; Q247-Q251 VanDerWaalsContact O-N 3.12Å |
| 248 | Q | 81.9 | Confident | 78.8 | Confident | 110 Ų | 110 | 113.5 Ų | 113.5 | 51% | 0.514 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 169.7 | -77.1 | -172.6 | -6.1 | 0 | 0 | 112.9 | Q244 Q245 Q251 Q252 | Q244-Q248 PolarHBondContact O-N 3.07Å; Q245-Q248 PolarHBondContact O-N 2.99Å; Q245-Q248 VanDerWaalsContact O-N 3.17Å; Q248-Q251 PolarHBondContact O-N 3.36Å; Q248-Q252 PolarHBondContact O-N 3.41Å |
| 249 | Q | 79.5 | Confident | 79 | Confident | 136 Ų | 136 | 111.3 Ų | 111.3 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63 | -44.1 | 175.4 | -93.1 | -174.2 | -3.9 | 0 | 0 | 112 | Q245 Q246 Q251 Q252 Q253 | Q245-Q249 PolarHBondContact O-N 3.43Å; Q246-Q249 PolarHBondContact O-N 3.47Å; Q249-Q251 VanDerWaalsContact C-N 3.29Å; Q249-Q251 PolarHBondContact O-N 3.25Å; Q249-Q252 PolarHBondContact O-N 2.92Å; Q249-Q253 PolarHBondContact O-N 3.38Å |
| 250 | Q | 75.9 | Confident | 79.3 | Confident | 65 Ų | 65 | 110.9 Ų | 110.9 | 30% | 0.304 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.4 | -40.7 | 172.9 | -74.2 | -178.5 | -9.6 | 0 | 0 | 111.7 | Q246 Q253 Q254 | Q246-Q250 PolarHBondContact O-N 3.46Å; Q250-Q253 PolarHBondContact O-N 3.2Å; Q250-Q254 WeakPolarHBondContact O-CB 3.45Å; Q250-Q254 PolarHBondContact O-N 3.49Å |
| 251 | Q | 80.2 | Confident | 79.3 | Confident | 120 Ų | 120 | 108.6 Ų | 108.6 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.5 | -41.3 | 176.8 | -130.8 | 172.8 | 62.2 | 0 | 0 | 112.3 | Q247 Q248 Q249 Q254 L255 | Q247-Q251 PolarHBondContact O-N 2.99Å; Q247-Q251 VanDerWaalsContact O-N 3.12Å; Q248-Q251 PolarHBondContact O-N 3.36Å; Q249-Q251 VanDerWaalsContact C-N 3.29Å; Q249-Q251 PolarHBondContact O-N 3.25Å; Q251-Q254 PolarHBondContact O-N 2.87Å; Q251-L255 WeakPolarHBondContact O-CB 3.32Å; Q251-L255 WeakPolarHBondContact O-CG 3.4Å; Q251-L255 PolarHBondContact O-N 2.96Å |
| 252 | Q | 82.6 | Confident | 79.3 | Confident | 128 Ų | 128 | 109 Ų | 109 | 60% | 0.598 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.4 | -41.1 | 175.1 | -74.9 | -174.7 | 47.3 | 0 | 0 | 112.4 | Q248 Q249 Q254 L255 Q256 | Q248-Q252 PolarHBondContact O-N 3.41Å; Q249-Q252 PolarHBondContact O-N 2.92Å; Q252-Q254 VanDerWaalsContact C-N 3.34Å; Q252-Q254 PolarHBondContact O-N 3.24Å; Q252-L255 PolarHBondContact O-N 3.35Å; Q252-Q256 VanDerWaalsContact O-CB 3.26Å; Q252-Q256 WeakPolarHBondContact O-CB 3.3Å; Q252-Q256 PolarHBondContact O-N 3.35Å |
| 253 | Q | 77.1 | Confident | 79.4 | Confident | 114 Ų | 114 | 107.3 Ų | 107.3 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 172.5 | -78.8 | -174 | -17.2 | 0 | 0 | 111.5 | Q249 Q250 Q256 L257 | Q249-Q253 PolarHBondContact O-N 3.38Å; Q250-Q253 PolarHBondContact O-N 3.2Å; Q253-Q256 PolarHBondContact O-N 2.88Å; Q253-L257 WeakPolarHBondContact O-CB 3.46Å; Q253-L257 PolarHBondContact O-N 3.04Å |
| 254 | Q | 76.5 | Confident | 79.2 | Confident | 119 Ų | 119 | 103.9 Ų | 103.9 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.4 | -39.9 | 179 | -168.3 | 173.9 | 96 | 0 | 0 | 112.3 | Q250 Q251 Q252 Q258 | Q250-Q254 WeakPolarHBondContact O-CB 3.45Å; Q250-Q254 PolarHBondContact O-N 3.49Å; Q251-Q254 PolarHBondContact O-N 2.87Å; Q252-Q254 VanDerWaalsContact C-N 3.34Å; Q252-Q254 PolarHBondContact O-N 3.24Å; Q254-Q258 WeakPolarHBondContact O-CB 3.27Å; Q254-Q258 PolarHBondContact O-N 3.33Å |
| 255 | L | 80.2 | Confident | 78.9 | Confident | 103 Ų | 103 | 103.8 Ų | 103.8 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 172.4 | -77.2 | 163.9 | 0 | 0 | 0 | 112.2 | Q251 Q252 L257 Q258 H259 | Q251-L255 WeakPolarHBondContact O-CB 3.32Å; Q251-L255 WeakPolarHBondContact O-CG 3.4Å; Q251-L255 PolarHBondContact O-N 2.96Å; Q252-L255 PolarHBondContact O-N 3.35Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 2.96Å; L255-Q258 PolarHBondContact O-N 2.94Å; L255-H259 WeakPolarHBondContact O-CB 3.28Å; L255-H259 PolarHBondContact O-N 3.42Å |
| 256 | Q | 80.5 | Confident | 78.9 | Confident | 146 Ų | 146 | 104 Ų | 104 | 68% | 0.682 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.5 | -37.5 | 177.7 | -174.8 | 169.8 | 72.4 | 0 | 0 | 111.7 | Q252 Q253 H259 Q260 | Q252-Q256 VanDerWaalsContact O-CB 3.26Å; Q252-Q256 WeakPolarHBondContact O-CB 3.3Å; Q252-Q256 PolarHBondContact O-N 3.35Å; Q253-Q256 PolarHBondContact O-N 2.88Å; Q256-H259 PolarHBondContact O-N 2.92Å; Q256-Q260 WeakPolarHBondContact O-CB 3.33Å; Q256-Q260 PolarHBondContact O-N 3.03Å |
| 257 | L | 74.7 | Confident | 79 | Confident | 38 Ų | 38 | 105.2 Ų | 105.2 | 20% | 0.199 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -70.3 | -38.3 | 175.1 | -164.5 | 72.4 | 0 | 0 | 0 | 112.5 | Q253 L255 Q260 Q261 | Q253-L257 WeakPolarHBondContact O-CB 3.46Å; Q253-L257 PolarHBondContact O-N 3.04Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 2.96Å; L257-Q260 PolarHBondContact O-N 2.92Å; L257-Q261 WeakPolarHBondContact O-CG 3.44Å; L257-Q261 PolarHBondContact O-N 3.39Å |
| 258 | Q | 78.9 | Confident | 78.7 | Confident | 131 Ų | 131 | 103.3 Ų | 103.3 | 61% | 0.612 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 172.4 | -177.5 | -179.1 | 89.2 | 0 | 0 | 110.9 | Q254 L255 Q261 Q262 | Q254-Q258 WeakPolarHBondContact O-CB 3.27Å; Q254-Q258 PolarHBondContact O-N 3.33Å; L255-Q258 PolarHBondContact O-N 2.94Å; Q258-Q261 PolarHBondContact O-N 2.83Å; Q258-Q262 WeakPolarHBondContact O-CB 2.95Å; Q258-Q262 PolarHBondContact O-N 2.97Å |
| 259 | H | 83.6 | Confident | 78.4 | Confident | 99 Ų | 99 | 103.3 Ų | 103.3 | 46% | 0.458 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.1 | -39.7 | 176.9 | -170.9 | 64.8 | 0 | 0 | 0 | 112.3 | L255 Q256 Q262 Q263 | L255-H259 WeakPolarHBondContact O-CB 3.28Å; L255-H259 PolarHBondContact O-N 3.42Å; Q256-H259 PolarHBondContact O-N 2.92Å; H259-Q262 PolarHBondContact O-N 2.98Å; H259-Q263 PolarHBondContact CD2-NE2 2.97Å; H259-Q263 PolarHBondContact NE2-NE2 3.45Å; H259-Q263 WeakPolarHBondContact O-CG 3.48Å; H259-Q263 PolarHBondContact O-N 2.92Å |
| 260 | Q | 79.4 | Confident | 78.2 | Confident | 81 Ų | 81 | 102.9 Ų | 102.9 | 38% | 0.379 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 174.4 | -175.8 | -179.9 | 82.3 | 0 | 0 | 111.9 | Q256 L257 Q262 Q263 Q264 | Q256-Q260 WeakPolarHBondContact O-CB 3.33Å; Q256-Q260 PolarHBondContact O-N 3.03Å; L257-Q260 PolarHBondContact O-N 2.92Å; Q260-Q262 VanDerWaalsContact C-N 3.33Å; Q260-Q262 PolarHBondContact O-N 3.37Å; Q260-Q263 PolarHBondContact O-N 3.32Å; Q260-Q264 WeakPolarHBondContact O-CG 3.43Å; Q260-Q264 PolarHBondContact O-N 3.5Å |
| 261 | Q | 78.5 | Confident | 77.8 | Confident | 77 Ų | 77 | 103.1 Ų | 103.1 | 36% | 0.36 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.2 | -39.6 | 174.1 | -77.6 | -177.6 | 87 | 0 | 0 | 112.1 | L257 Q258 Q264 H265 | L257-Q261 WeakPolarHBondContact O-CG 3.44Å; L257-Q261 PolarHBondContact O-N 3.39Å; Q258-Q261 PolarHBondContact O-N 2.83Å; Q261-Q264 PolarHBondContact O-N 3.38Å; Q261-H265 PolarHBondContact O-N 3.26Å |
| 262 | Q | 82.2 | Confident | 77.3 | Confident | 127 Ų | 127 | 102.8 Ų | 102.8 | 59% | 0.593 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.7 | -42.1 | 176.4 | -173.7 | 173.8 | 66.7 | 0 | 0 | 112 | Q258 H259 Q260 H265 Q266 | Q258-Q262 WeakPolarHBondContact O-CB 2.95Å; Q258-Q262 PolarHBondContact O-N 2.97Å; H259-Q262 PolarHBondContact O-N 2.98Å; Q260-Q262 VanDerWaalsContact C-N 3.33Å; Q260-Q262 PolarHBondContact O-N 3.37Å; Q262-H265 PolarHBondContact O-N 3.33Å; Q262-Q266 WeakPolarHBondContact O-CB 3.34Å; Q262-Q266 PolarHBondContact O-N 3.24Å |
| 263 | Q | 81.1 | Confident | 76.7 | Confident | 89 Ų | 89 | 102 Ų | 102 | 42% | 0.416 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 172.1 | -72.9 | -169.3 | 20.2 | 0 | 0 | 111.9 | H259 Q260 Q266 Q267 | H259-Q263 PolarHBondContact CD2-NE2 2.97Å; H259-Q263 PolarHBondContact NE2-NE2 3.45Å; H259-Q263 WeakPolarHBondContact O-CG 3.48Å; H259-Q263 PolarHBondContact O-N 2.92Å; Q260-Q263 PolarHBondContact O-N 3.32Å; Q263-Q266 PolarHBondContact O-N 3.46Å; Q263-Q267 WeakPolarHBondContact O-CG 3.48Å; Q263-Q267 PolarHBondContact O-N 3.37Å |
| 264 | Q | 73.5 | Confident | 76.1 | Confident | 49 Ų | 49 | 102.2 Ų | 102.2 | 23% | 0.229 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 178 | -74.9 | 171 | -11.8 | 0 | 0 | 112.2 | Q260 Q261 Q266 Q267 Q268 | Q260-Q264 WeakPolarHBondContact O-CG 3.43Å; Q260-Q264 PolarHBondContact O-N 3.5Å; Q261-Q264 PolarHBondContact O-N 3.38Å; Q264-Q266 VanDerWaalsContact C-N 3.34Å; Q264-Q267 PolarHBondContact O-N 3.36Å; Q264-Q268 PolarHBondContact O-N 3.42Å |
| 265 | H | 76.3 | Confident | 75.4 | Confident | 120 Ų | 120 | 99.9 Ų | 99.9 | 56% | 0.556 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.5 | -42.1 | 171.9 | -120.8 | 74.9 | 0 | 0 | 0 | 111.9 | Q261 Q262 Q268 H269 | Q261-H265 PolarHBondContact O-N 3.26Å; Q262-H265 PolarHBondContact O-N 3.33Å; H265-Q268 PolarHBondContact O-N 2.95Å; H265-H269 PolarHBondContact O-CD2 2.9Å; H265-H269 PolarHBondContact O-N 3Å |
| 266 | Q | 80.5 | Confident | 74.3 | Confident | 121 Ų | 121 | 101 Ų | 101 | 57% | 0.565 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69.7 | -34.1 | 179.2 | -166.3 | 169.9 | 89.6 | 0 | 0 | 112.4 | Q262 Q263 Q264 Q270 | Q262-Q266 WeakPolarHBondContact O-CB 3.34Å; Q262-Q266 PolarHBondContact O-N 3.24Å; Q263-Q266 PolarHBondContact O-N 3.46Å; Q264-Q266 VanDerWaalsContact C-N 3.34Å; Q266-Q270 WeakPolarHBondContact O-CG 3.41Å; Q266-Q270 PolarHBondContact O-N 3.2Å |
| 267 | Q | 78.3 | Confident | 73.2 | Confident | 119 Ų | 119 | 100.4 Ų | 100.4 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68.7 | -41.3 | 171.2 | -73.4 | 178.2 | 30.4 | 0 | 0 | 112 | Q263 Q264 H269 Q270 H271 | Q263-Q267 WeakPolarHBondContact O-CG 3.48Å; Q263-Q267 PolarHBondContact O-N 3.37Å; Q264-Q267 PolarHBondContact O-N 3.36Å; Q267-H269 PolarHBondContact O-N 2.9Å; Q267-Q270 PolarHBondContact O-N 2.89Å; Q267-H271 WeakPolarHBondContact O-CB 3.43Å; Q267-H271 PolarHBondContact O-N 3.45Å |
| 268 | Q | 72.4 | Confident | 72.1 | Confident | 78 Ų | 78 | 105.2 Ų | 105.2 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 173.3 | -76.9 | -176.6 | 5 | 0 | 0 | 111.7 | Q264 H265 H271 Q272 | Q264-Q268 PolarHBondContact O-N 3.42Å; H265-Q268 PolarHBondContact O-N 2.95Å; Q268-H271 PolarHBondContact O-N 2.96Å; Q268-Q272 VanDerWaalsContact O-CB 3.27Å; Q268-Q272 WeakPolarHBondContact O-CB 3.49Å; Q268-Q272 PolarHBondContact O-N 3.04Å |
| 269 | H | 75.6 | Confident | 70.6 | Confident | 110 Ų | 110 | 103.5 Ų | 103.5 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 174.3 | -87.5 | -61.7 | 0 | 0 | 0 | 113.1 | H265 Q267 Q272 H273 | H265-H269 PolarHBondContact O-CD2 2.9Å; H265-H269 PolarHBondContact O-N 3Å; Q267-H269 PolarHBondContact O-N 2.9Å; H269-Q272 PolarHBondContact O-N 3.46Å; H269-H273 PolarHBondContact O-N 3.33Å |
| 270 | Q | 74.5 | Confident | 69 | Low | 126 Ų | 126 | 104.2 Ų | 104.2 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.6 | -43.7 | 175.8 | -78.6 | -172.8 | 54.3 | 0 | 0 | 112.1 | Q266 Q267 H273 Q274 | Q266-Q270 WeakPolarHBondContact O-CG 3.41Å; Q266-Q270 PolarHBondContact O-N 3.2Å; Q267-Q270 PolarHBondContact O-N 2.89Å; Q270-H273 PolarHBondContact O-N 2.94Å; Q270-Q274 WeakPolarHBondContact O-CB 3.17Å; Q270-Q274 PolarHBondContact O-N 3.32Å |
| 271 | H | 68.2 | Low | 67.3 | Low | 70 Ų | 70 | 108.9 Ų | 108.9 | 32% | 0.324 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.2 | -36.5 | -179.7 | -163.2 | 79.5 | 0 | 0 | 0 | 111.9 | Q267 Q268 Q274 Q275 Q586 | Q267-H271 WeakPolarHBondContact O-CB 3.43Å; Q267-H271 PolarHBondContact O-N 3.45Å; Q268-H271 PolarHBondContact O-N 2.96Å; H271-Q274 PolarHBondContact O-N 2.99Å; H271-Q275 PolarHBondContact NE2-NE2 2.7Å; H271-Q275 WeakPolarHBondContact O-CG 3.31Å; H271-Q275 PolarHBondContact O-N 3.09Å; H271-Q586 PolarHBondContact CD2-NE2 3.26Å |
| 272 | Q | 68.7 | Low | 65.4 | Low | 114 Ų | 114 | 112.9 Ų | 112.9 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 172.3 | -174.1 | 173.8 | 87.4 | 0 | 0 | 112 | Q268 H269 Q276 | Q268-Q272 VanDerWaalsContact O-CB 3.27Å; Q268-Q272 WeakPolarHBondContact O-CB 3.49Å; Q268-Q272 PolarHBondContact O-N 3.04Å; H269-Q272 PolarHBondContact O-N 3.46Å; Q272-Q276 WeakPolarHBondContact O-CG 3.37Å; Q272-Q276 PolarHBondContact O-N 3.02Å |
| 273 | H | 70.6 | Confident | 63.7 | Low | 110 Ų | 110 | 113.1 Ų | 113.1 | 51% | 0.509 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.8 | -40 | 170.3 | -106.1 | -65.1 | 0 | 0 | 0 | 112.3 | H269 Q270 Q276 H277 | H269-H273 PolarHBondContact O-N 3.33Å; Q270-H273 PolarHBondContact O-N 2.94Å; H273-Q276 WeakPolarHBondContact O-CB 3.4Å; H273-Q276 PolarHBondContact O-N 3.39Å; H273-H277 PolarHBondContact O-CD2 3Å; H273-H277 VanDerWaalsContact O-CD2 3.29Å; H273-H277 PolarHBondContact O-N 3.35Å |
| 274 | Q | 64.4 | Low | 61.8 | Low | 119 Ų | 119 | 115.8 Ų | 115.8 | 56% | 0.556 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.5 | -37.1 | -177.3 | -166.8 | 157.9 | 70.8 | 0 | 0 | 111.9 | Q270 H271 Q276 H277 Q278 | Q270-Q274 WeakPolarHBondContact O-CB 3.17Å; Q270-Q274 PolarHBondContact O-N 3.32Å; H271-Q274 PolarHBondContact O-N 2.99Å; Q274-Q276 VanDerWaalsContact C-N 3.3Å; Q274-Q276 PolarHBondContact O-N 2.94Å; Q274-H277 PolarHBondContact O-N 3.22Å; Q274-Q278 VanDerWaalsContact O-CB 3.26Å; Q274-Q278 WeakPolarHBondContact O-CB 3.41Å; Q274-Q278 PolarHBondContact O-N 2.88Å |
| 275 | Q | 61.8 | Low | 60.1 | Low | 71 Ų | 71 | 123 Ų | 123 | 33% | 0.332 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.6 | -34.4 | 169 | -74.3 | -177.2 | -8.5 | 0 | 0 | 112.5 | H271 H277 | H271-Q275 PolarHBondContact NE2-NE2 2.7Å; H271-Q275 WeakPolarHBondContact O-CG 3.31Å; H271-Q275 PolarHBondContact O-N 3.09Å; Q275-H277 VanDerWaalsContact C-N 3.34Å |
| 276 | Q | 57.6 | Low | 58.4 | Low | 126 Ų | 126 | 121.1 Ų | 121.1 | 59% | 0.589 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -70.3 | -27.1 | 173.3 | -72.1 | -179.5 | 10.9 | 0 | 0 | 113.5 | Q272 H273 Q274 S279 | Q272-Q276 WeakPolarHBondContact O-CG 3.37Å; Q272-Q276 PolarHBondContact O-N 3.02Å; H273-Q276 WeakPolarHBondContact O-CB 3.4Å; H273-Q276 PolarHBondContact O-N 3.39Å; Q274-Q276 VanDerWaalsContact C-N 3.3Å; Q274-Q276 PolarHBondContact O-N 2.94Å; Q276-S279 PolarHBondContact O-OG 3.45Å; Q276-S279 VanDerWaalsContact O-OG 3.14Å |
| 277 | H | 56 | Low | 56.4 | Low | 133 Ų | 133 | 118.7 Ų | 118.7 | 62% | 0.616 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -87.8 | -34.9 | 176.4 | -81.4 | -69.8 | 0 | 0 | 0 | 113.7 | H273 Q274 Q275 S279 L280 | H273-H277 PolarHBondContact O-CD2 3Å; H273-H277 VanDerWaalsContact O-CD2 3.29Å; H273-H277 PolarHBondContact O-N 3.35Å; Q274-H277 PolarHBondContact O-N 3.22Å; Q275-H277 VanDerWaalsContact C-N 3.34Å; H277-S279 PolarHBondContact O-N 3Å; H277-L280 PolarHBondContact O-N 2.91Å |
| 278 | Q | 52.7 | Low | 54.6 | Low | 140 Ų | 140 | 122.4 Ų | 122.4 | 65% | 0.654 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -76.8 | -6.4 | -173.4 | -166.8 | 166.1 | 82.7 | 0 | 0 | 113.8 | Q274 L280 | Q274-Q278 VanDerWaalsContact O-CB 3.26Å; Q274-Q278 WeakPolarHBondContact O-CB 3.41Å; Q274-Q278 PolarHBondContact O-N 2.88Å; Q278-L280 PolarHBondContact O-N 3.29Å |
| 279 | S | 46.5 | Very low | 53 | Low | 94 Ų | 94 | 123.5 Ų | 123.5 | 66% | 0.657 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -6 | 163 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | Q276 H277 | Q276-S279 PolarHBondContact O-OG 3.45Å; Q276-S279 VanDerWaalsContact O-OG 3.14Å; H277-S279 PolarHBondContact O-N 3Å |
| 280 | L | 49.4 | Very low | 51.3 | Low | 114 Ų | 114 | 122.3 Ų | 122.3 | 60% | 0.597 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -118.1 | 127.9 | 169.1 | -71 | 80.1 | 0 | 0 | 0 | 110.3 | H277 Q278 | H277-L280 PolarHBondContact O-N 2.91Å; Q278-L280 PolarHBondContact O-N 3.29Å |
| 281 | Q | 44.4 | Very low | 49.8 | Very low | 179 Ų | 179 | 120.1 Ų | 120.1 | 84% | 0.836 | 70% | 0.702 | S | S | * | * | trans | 95.2 | 123.7 | 168.4 | -54.2 | 159.2 | 37.8 | 0 | 0 | 117.3 | ||||
| 282 | L | 38.8 | Very low | 48.6 | Very low | 162 Ų | 162 | 123.7 Ų | 123.7 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | trans | -108.7 | 140.7 | 165.5 | -71.7 | 74.7 | 0 | 0 | 0 | 109.1 | ||||
| 283 | P | 47.2 | Very low | 47.3 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 85% | 0.851 | 74% | 0.74 | S | S | * | * | trans | -117.6 | 161.1 | 166.8 | 37.8 | -27.7 | 0 | 0 | 0 | 113.8 | ||||
| 284 | T | 41.4 | Very low | 45.9 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | -108.4 | 144.4 | -177.4 | -30.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 285 | E | 36.3 | Very low | 44.7 | Very low | 201 Ų | 201 | 125.3 Ų | 125.3 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | trans | -83.3 | 155.1 | 176.9 | -71.8 | -157.1 | 132.2 | 0 | 0 | 114.7 | ||||
| 286 | G | 41 | Very low | 43.7 | Very low | 81 Ų | 81 | 132.6 Ų | 132.6 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | -173.1 | 138.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 287 | G | 39.1 | Very low | 43 | Very low | 70 Ų | 70 | 138 Ų | 138 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -159.1 | 178.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 288 | Q | 39.8 | Very low | 42.2 | Very low | 196 Ų | 196 | 135.3 Ų | 135.3 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | 177.3 | 146.2 | 154.4 | -105.4 | 171.4 | 26.3 | 0 | 0 | 115.1 | ||||
| 289 | A | 38.6 | Very low | 41.8 | Very low | 102 Ų | 102 | 140 Ų | 140 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | 67.2 | 128.7 | 139.3 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 290 | G | 41.1 | Very low | 41.4 | Very low | 85 Ų | 85 | 138.6 Ų | 138.6 | 88% | 0.876 | 83% | 0.833 | S | S | * | * | trans | 132.1 | 128.1 | 135.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 291 | G | 43.3 | Very low | 41.1 | Very low | 80 Ų | 80 | 139.1 Ų | 139.1 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | trans | 125.2 | 77 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 292 | V | 42.3 | Very low | 41 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 88% | 0.879 | 85% | 0.845 | S | S | * | * | trans | -30.1 | 149.5 | 165.3 | -77.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 293 | A | 41.3 | Very low | 41.4 | Very low | 94 Ų | 94 | 134.8 Ų | 134.8 | 78% | 0.777 | 84% | 0.841 | S | S | * | * | trans | 110.9 | 112.1 | 133.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 294 | A | 40.3 | Very low | 41.1 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 88% | 0.876 | 83% | 0.831 | S | S | * | * | trans | 74.4 | 147.7 | 140.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 295 | E | 39.6 | Very low | 41 | Very low | 176 Ų | 176 | 133.7 Ų | 133.7 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | -102.9 | 142.9 | -168.6 | -48.1 | 170.6 | 123.9 | 0 | 0 | 113.4 | ||||
| 296 | R | 40.9 | Very low | 41.4 | Very low | 225 Ų | 225 | 128.3 Ų | 128.3 | 85% | 0.849 | 82% | 0.819 | S | S | * | * | 174.9 | 125.3 | 109 | -93.8 | 177.6 | -171.1 | -144.2 | 1.9 | 113.3 | |||||
| 297 | Y | 43.1 | Very low | 41.4 | Very low | 240 Ų | 240 | 130.4 Ų | 130.4 | 94% | 0.941 | 82% | 0.818 | S | S | * | * | trans | 17.8 | 119.3 | 151.7 | -73.2 | -91.4 | 0 | 0 | 0 | 120.9 | ||||
| 298 | G | 39.7 | Very low | 41.4 | Very low | 75 Ų | 75 | 134.7 Ų | 134.7 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | 155.9 | 93.7 | 152.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 299 | Y | 44.1 | Very low | 41.8 | Very low | 240 Ų | 240 | 130.2 Ų | 130.2 | 94% | 0.941 | 81% | 0.811 | S | S | * | * | trans | -61.9 | 148.6 | 162.5 | -66.5 | -100.5 | 0 | 0 | 0 | 109.5 | ||||
| 300 | G | 37.7 | Very low | 41.7 | Very low | 64 Ų | 64 | 131.7 Ų | 131.7 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | cis | 105.6 | 121.9 | 23.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 301 | S | 44.1 | Very low | 41.6 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | cis | -152.3 | 160 | 6.8 | -63.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 302 | T | 40.6 | Very low | 41.5 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -93.7 | -168.3 | 166.5 | 56 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 303 | P | 48.5 | Very low | 41.3 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | cis | -122.3 | -155.6 | -6.2 | 35.6 | -11.9 | 0 | 0 | 0 | 111.5 | ||||
| 304 | S | 40.1 | Very low | 41.3 | Very low | 92 Ų | 92 | 137 Ų | 137 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | cis | -163.9 | 155.4 | 17.1 | -153.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 305 | L | 39.8 | Very low | 41.2 | Very low | 161 Ų | 161 | 141.3 Ų | 141.3 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | 10.3 | 149.2 | 144.9 | -53.5 | 174.8 | 0 | 0 | 0 | 120.9 | ||||
| 306 | A | 44.4 | Very low | 41.1 | Very low | 89 Ų | 89 | 143.6 Ų | 143.6 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | cis | -158.1 | -133.1 | -10.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 307 | P | 40.7 | Very low | 40.9 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | -117.7 | 179.8 | -128.6 | 36.2 | -16.5 | 0 | 0 | 0 | 119.4 | |||||
| 308 | L | 38.6 | Very low | 40.7 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -51 | 174.5 | 175 | -88.2 | 76.5 | 0 | 0 | 0 | 117 | ||||
| 309 | P | 48.6 | Very low | 40.6 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 66% | 0.656 | 81% | 0.81 | S | S | * | * | cis | -140.2 | -174.8 | -5.1 | 24.8 | 1 | 0 | 0 | 0 | 117.4 | ||||
| 310 | T | 37.2 | Very low | 40.6 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 82% | 0.816 | 80% | 0.799 | S | S | * | * | trans | 106.3 | 138.2 | 148 | 71.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 311 | A | 39.3 | Very low | 40.6 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | 32.9 | 122.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 312 | S | 40 | Very low | 40.3 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | -169.7 | -174.5 | 55.4 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 313 | A | 38.7 | Very low | 40.2 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -60.7 | 146.3 | -162.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 314 | Q | 41.1 | Very low | 39.7 | Very low | 203 Ų | 203 | 140.1 Ų | 140.1 | 95% | 0.949 | 81% | 0.807 | S | S | * | * | -157.7 | 160.7 | 108.8 | -105.7 | 174.3 | 6.6 | 0 | 0 | 112.1 | |||||
| 315 | K | 39.1 | Very low | 39.6 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | trans | -116 | 135.2 | -172 | -64.4 | 175.7 | 178.6 | 176.3 | 0 | 111.7 | ||||
| 316 | F | 37.3 | Very low | 39.5 | Very low | 225 Ų | 225 | 141.4 Ų | 141.4 | 99% | 0.987 | 82% | 0.82 | S | S | * | * | trans | -176.8 | 140.6 | 142.3 | -96.8 | -70 | 0 | 0 | 0 | 107.1 | ||||
| 317 | G | 35.5 | Very low | 39.2 | Very low | 71 Ų | 71 | 142 Ų | 142 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | cis | 177.8 | 132.4 | -10.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 318 | S | 40.6 | Very low | 39.2 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | trans | -142.2 | 142 | 179 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 319 | T | 37.1 | Very low | 39.3 | Very low | 137 Ų | 137 | 152.3 Ų | 152.3 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | trans | -129.6 | 120 | -169.5 | 58.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 320 | T | 42.9 | Very low | 39 | Very low | 118 Ų | 118 | 158.9 Ų | 158.9 | 72% | 0.724 | 85% | 0.848 | S | S | * | * | trans | -142.9 | 151.1 | 173.3 | -35.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 321 | D | 38.7 | Very low | 38.8 | Very low | 122 Ų | 122 | 159.9 Ų | 159.9 | 65% | 0.652 | 85% | 0.848 | S | S | * | * | trans | 58.2 | 93.3 | 168.2 | -69.6 | -57.3 | 0 | 0 | 0 | 119.6 | ||||
| 322 | L | 36.8 | Very low | 38.8 | Very low | 182 Ų | 182 | 164.8 Ų | 164.8 | 95% | 0.953 | 85% | 0.854 | S | S | * | * | trans | -85.2 | 106 | 149.7 | -84 | 74.5 | 0 | 0 | 0 | 109.3 | ||||
| 323 | R | 39.6 | Very low | 38.5 | Very low | 204 Ų | 204 | 169.7 Ų | 169.7 | 77% | 0.77 | 85% | 0.854 | S | S | * | * | trans | -148.8 | 23.4 | 170.3 | -143 | -168.3 | -63.1 | -161.8 | 2.4 | 117.7 | ||||
| 324 | H | 37.8 | Very low | 38.4 | Very low | 191 Ų | 191 | 172.7 Ų | 172.7 | 88% | 0.884 | 86% | 0.856 | S | S | * | * | trans | -137.5 | 97.4 | 172.3 | -77.4 | -73.4 | 0 | 0 | 0 | 112.3 | ||||
| 325 | L | 38.9 | Very low | 38.3 | Very low | 183 Ų | 183 | 169.9 Ų | 169.9 | 96% | 0.958 | 85% | 0.847 | S | S | * | * | trans | -153.3 | 52.7 | 169.6 | -125.7 | 162.8 | 0 | 0 | 0 | 112.6 | ||||
| 326 | A | 36.2 | Very low | 38 | Very low | 97 Ų | 97 | 167.4 Ų | 167.4 | 80% | 0.802 | 84% | 0.838 | S | S | * | * | trans | -140.9 | 153.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 327 | A | 37.8 | Very low | 37.9 | Very low | 101 Ų | 101 | 167.1 Ų | 167.1 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | S | Bend | trans | 63.9 | 74.3 | 177 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 328 | R | 42.5 | Very low | 37.8 | Very low | 249 Ų | 249 | 169.2 Ų | 169.2 | 94% | 0.94 | 83% | 0.833 | S | S | * | * | trans | -178.2 | 115.7 | 136.1 | -106.3 | 174.1 | 176.4 | -160.5 | -0.7 | 112.3 | ||||
| 329 | R | 38.9 | Very low | 37.6 | Very low | 253 Ų | 253 | 168.1 Ų | 168.1 | 96% | 0.955 | 83% | 0.825 | S | S | * | * | -157.1 | 147 | 116.2 | -77.7 | -136.2 | 173.1 | -151.3 | -3.6 | 108.8 | |||||
| 330 | R | 42.4 | Very low | 37.6 | Very low | 240 Ų | 240 | 168.2 Ų | 168.2 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -94.2 | 161.1 | 177.8 | -102.1 | -179.5 | 162.8 | 114 | -6.4 | 110.3 | ||||
| 331 | N | 33.4 | Very low | 37.3 | Very low | 153 Ų | 153 | 171.4 Ų | 171.4 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -37.5 | 140.5 | 168.2 | -49.3 | -19 | 0 | 0 | 0 | 113.5 | ||||
| 332 | H | 39.1 | Very low | 37.4 | Very low | 199 Ų | 199 | 173.8 Ų | 173.8 | 92% | 0.921 | 84% | 0.84 | S | S | * | * | trans | -136.5 | 144.5 | 148.3 | -110.9 | -88.7 | 0 | 0 | 0 | 109.2 | ||||
| 333 | R | 35.2 | Very low | 37.3 | Very low | 229 Ų | 229 | 169.2 Ų | 169.2 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | trans | -119.4 | 118.6 | -172.1 | 177.9 | -162.7 | -156.3 | -175.1 | 8.8 | 107.9 | ||||
| 334 | L | 36.7 | Very low | 37.5 | Very low | 153 Ų | 153 | 167.5 Ų | 167.5 | 80% | 0.801 | 83% | 0.834 | S | S | * | * | trans | -174.9 | 151.6 | 146.2 | -123.3 | 68.1 | 0 | 0 | 0 | 111.3 | ||||
| 335 | L | 37.7 | Very low | 37.2 | Very low | 144 Ų | 144 | 164.3 Ų | 164.3 | 75% | 0.754 | 83% | 0.828 | S | S | * | * | trans | -0.3 | 149.2 | 149.2 | -52 | 166.7 | 0 | 0 | 0 | 117.5 | ||||
| 336 | Q | 32.9 | Very low | 37.2 | Very low | 145 Ų | 145 | 163.9 Ų | 163.9 | 68% | 0.678 | 83% | 0.826 | S | S | * | * | cis | -172.1 | 145.7 | 37.4 | -156.4 | 166.9 | 2.5 | 0 | 0 | 114.4 | ||||
| 337 | R | 35.3 | Very low | 36.9 | Very low | 220 Ų | 220 | 166.8 Ų | 166.8 | 83% | 0.83 | 83% | 0.828 | S | S | * | * | trans | 67.2 | 148.6 | 149.9 | -88.8 | 173.3 | -175.1 | 176 | 0.5 | 123.7 | ||||
| 338 | C | 34.2 | Very low | 36.9 | Very low | 115 Ų | 115 | 169.1 Ų | 169.1 | 78% | 0.777 | 83% | 0.825 | S | S | * | * | trans | 89 | 89.4 | 164.3 | -57.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 339 | S | 35.7 | Very low | 36.8 | Very low | 95 Ų | 95 | 164.1 Ų | 164.1 | 66% | 0.664 | 82% | 0.817 | S | S | * | * | cis | 95.8 | 116.8 | 48.5 | 69.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 340 | N | 37 | Very low | 36.5 | Very low | 140 Ų | 140 | 157.1 Ų | 157.1 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | 179 | 92.2 | 129.2 | -90.9 | 7.7 | 0 | 0 | 0 | 109.4 | |||||
| 341 | E | 36.1 | Very low | 36.3 | Very low | 185 Ų | 185 | 153 Ų | 153 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -118 | 112.2 | 168.8 | -27.1 | -68.2 | 127.3 | 0 | 0 | 107.6 | ||||
| 342 | D | 41.4 | Very low | 36.5 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | trans | -96.7 | 139.9 | 172.3 | -87.1 | -54.3 | 0 | 0 | 0 | 110.5 | ||||
| 343 | A | 34.9 | Very low | 36.3 | Very low | 87 Ų | 87 | 145 Ų | 145 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | trans | -98.1 | 142.3 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 344 | L | 42.8 | Very low | 36.6 | Very low | 168 Ų | 168 | 142.8 Ų | 142.8 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | -132.3 | 84.3 | 159.8 | -76.3 | -179.5 | 0 | 0 | 0 | 111.3 | ||||
| 345 | T | 31.2 | Very low | 36.8 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | 20.7 | 120 | 134.2 | 55.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 346 | L | 40.2 | Very low | 37 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | trans | -152 | 86 | 141.2 | -147 | 171.6 | 0 | 0 | 0 | 110.2 | ||||
| 347 | D | 30.3 | Very low | 37.6 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -148.6 | 96.5 | 175.8 | -168.1 | 8.9 | 0 | 0 | 0 | 109.6 | ||||
| 348 | L | 36.7 | Very low | 37.9 | Very low | 149 Ų | 149 | 141.3 Ų | 141.3 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | trans | -164.9 | 106.8 | 174.9 | -156 | 78.1 | 0 | 0 | 0 | 112 | ||||
| 349 | L | 40 | Very low | 38.2 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | 167.1 | 104.5 | 116.6 | -87.6 | 174.1 | 0 | 0 | 0 | 112.8 | |||||
| 350 | S | 32.4 | Very low | 38.4 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | 47 | 97.3 | 133 | -52.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 351 | T | 39.5 | Very low | 38.6 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 95% | 0.945 | 81% | 0.807 | S | S | * | * | -132.7 | 140.1 | 123 | 41.7 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 352 | G | 36.5 | Very low | 39 | Very low | 73 Ų | 73 | 133.2 Ų | 133.2 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -132 | 151.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 353 | S | 36.2 | Very low | 39.1 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 13.5 | 119.8 | 163.7 | -51.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 354 | H | 41.1 | Very low | 39.5 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | -157.8 | 170.3 | 99.1 | -115.6 | -59.9 | 0 | 0 | 0 | 113.1 | |||||
| 355 | D | 40.5 | Very low | 39.6 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | trans | -85.5 | 164.6 | -155.8 | -54.7 | -104 | 0 | 0 | 0 | 116.1 | ||||
| 356 | R | 41.6 | Very low | 40 | Very low | 240 Ų | 240 | 130.4 Ų | 130.4 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | -112.3 | 141.3 | 142.1 | -56.6 | -178.4 | 70 | -163 | 2.3 | 106.5 | ||||
| 357 | P | 46.7 | Very low | 40.1 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | -147.1 | -170.1 | 93 | 40 | -23.9 | 0 | 0 | 0 | 115 | |||||
| 358 | D | 41.8 | Very low | 40.8 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | trans | 74.5 | 154 | 162.4 | -59 | -22.9 | 0 | 0 | 0 | 119.2 | ||||
| 359 | G | 39.1 | Very low | 41.1 | Very low | 68 Ų | 68 | 126.5 Ų | 126.5 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | 173 | 90.7 | -9.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 360 | A | 40.1 | Very low | 41 | Very low | 104 Ų | 104 | 122.9 Ų | 122.9 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | trans | 63.3 | 164.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 361 | S | 41.3 | Very low | 41.4 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | 74.4 | 144.2 | 167.4 | -144.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 362 | S | 45.8 | Very low | 41.6 | Very low | 79 Ų | 79 | 120.2 Ų | 120.2 | 55% | 0.552 | 77% | 0.766 | S | S | * | * | cis | -171.4 | 137.2 | -22.3 | -94.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 363 | K | 42.6 | Very low | 41.7 | Very low | 195 Ų | 195 | 123.4 Ų | 123.4 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | 65.9 | 161.7 | 153.1 | -59.8 | 162 | -168.8 | 173.7 | 0 | 114.9 | ||||
| 364 | S | 44.3 | Very low | 42.5 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | cis | -158 | 173.1 | -5.9 | 28.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 365 | S | 43.2 | Very low | 42.8 | Very low | 123 Ų | 123 | 122.8 Ų | 122.8 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | 0.9 | 144.4 | 155.4 | -42.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 366 | G | 40.3 | Very low | 43 | Very low | 64 Ų | 64 | 122.5 Ų | 122.5 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | cis | 149.9 | 157.3 | -5.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 367 | T | 42.8 | Very low | 43 | Very low | 134 Ų | 134 | 115.6 Ų | 115.6 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 71.7 | 149.1 | 150.2 | -22.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 368 | V | 43.6 | Very low | 42.9 | Very low | 120 Ų | 120 | 116.7 Ų | 116.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 67.1 | 103.6 | 160.2 | -98.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 369 | V | 43.4 | Very low | 43.3 | Very low | 147 Ų | 147 | 113.8 Ų | 113.8 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | trans | 55.4 | 137.4 | 137.2 | -58.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 370 | G | 39.1 | Very low | 44.1 | Very low | 68 Ų | 68 | 115.2 Ų | 115.2 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | 156.9 | 106.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 371 | S | 39.4 | Very low | 45.1 | Very low | 116 Ų | 116 | 115.1 Ų | 115.1 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | 65.8 | 116.4 | 65.3 | -171 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 372 | S | 44.2 | Very low | 46.5 | Very low | 88 Ų | 88 | 111.7 Ų | 111.7 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | cis | -157.1 | 176.1 | -6.3 | -70.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 373 | D | 39.7 | Very low | 48.1 | Very low | 141 Ų | 141 | 112.5 Ų | 112.5 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | trans | 70.9 | 131.3 | 140.5 | -70.8 | -39.5 | 0 | 0 | 0 | 122.4 | ||||
| 374 | L | 52.3 | Low | 50.1 | Low | 153 Ų | 153 | 106.4 Ų | 106.4 | 80% | 0.801 | 70% | 0.703 | S | S | * | * | trans | 66.6 | 93.3 | 146.8 | -60.6 | 165.5 | 0 | 0 | 0 | 119.8 | ||||
| 375 | T | 47.7 | Very low | 52 | Low | 125 Ų | 125 | 108.2 Ų | 108.2 | 77% | 0.767 | 70% | 0.699 | S | S | * | * | -175.3 | 128.4 | 112.6 | 20.6 | 0 | 0 | 0 | 0 | 112.3 | S377 | T375-S377 PolarHBondContact O-N 3.47Š| |||
| 376 | P | 44.9 | Very low | 54.3 | Low | 124 Ų | 124 | 108 Ų | 108 | 81% | 0.805 | 69% | 0.688 | S | S | * | * | trans | -90.9 | 92.5 | 169 | 33.9 | -29.5 | 0 | 0 | 0 | 110.5 | P378 | P376-P378 WeakPolarHBondContact O-CD 3.17Š| ||
| 377 | S | 40.6 | Very low | 56.6 | Low | 94 Ų | 94 | 109.5 Ų | 109.5 | 66% | 0.657 | 68% | 0.678 | S | S | * | * | trans | -79.8 | 118 | -178.4 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | T375 S379 | T375-S377 PolarHBondContact O-N 3.47Å; S377-S379 PolarHBondContact O-N 3.1Å; S377-S379 VanDerWaalsContact O-N 3.16Å | ||
| 378 | P | 46 | Very low | 58.9 | Low | 125 Ų | 125 | 105.8 Ų | 105.8 | 81% | 0.812 | 66% | 0.661 | S | S | * | * | trans | -85.9 | 86.3 | -175.6 | 33.8 | -33.8 | 0 | 0 | 0 | 111.7 | P376 | P376-P378 WeakPolarHBondContact O-CD 3.17Š| ||
| 379 | S | 49.6 | Very low | 61.2 | Low | 100 Ų | 100 | 102.4 Ų | 102.4 | 70% | 0.699 | 65% | 0.645 | S | S | * | * | trans | -146.5 | 0.3 | 179.6 | -53.5 | 0 | 0 | 0 | 0 | 116.6 | S377 S381 | S377-S379 PolarHBondContact O-N 3.1Å; S377-S379 VanDerWaalsContact O-N 3.16Å; S379-S381 PolarHBondContact O-N 2.99Å | ||
| 380 | D | 56.1 | Low | 63.6 | Low | 99 Ų | 99 | 100.9 Ų | 100.9 | 53% | 0.529 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | -11.2 | -173.5 | -165.4 | 36.8 | 0 | 0 | 0 | 114.8 | G382 I383 S384 | D380-G382 VanDerWaalsContact C-N 3.29Å; D380-G382 PolarHBondContact O-N 3.48Å; D380-I383 PolarHBondContact O-N 3.36Å; D380-I383 VanDerWaalsContact O-N 3.11Å; D380-S384 PolarHBondContact O-N 2.93Å; D380-S384 VanDerWaalsContact O-N 3.15Å |
| 381 | S | 59.5 | Low | 66.2 | Low | 101 Ų | 101 | 103.7 Ų | 103.7 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.7 | -35.1 | -172.7 | -52.2 | 0 | 0 | 0 | 0 | 114.2 | S379 E385 | S379-S381 PolarHBondContact O-N 2.99Å; S381-E385 PolarHBondContact O-N 3.44Å |
| 382 | G | 72.3 | Confident | 68.7 | Low | 41 Ų | 41 | 102.9 Ų | 102.9 | 42% | 0.423 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -76 | -30.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D380 E385 L386 | D380-G382 VanDerWaalsContact C-N 3.29Å; D380-G382 PolarHBondContact O-N 3.48Å; G382-E385 PolarHBondContact O-N 2.71Å; G382-L386 WeakPolarHBondContact O-CG 3.3Å; G382-L386 PolarHBondContact O-N 3.46Å |
| 383 | I | 78.9 | Confident | 71.1 | Confident | 96 Ų | 96 | 104.1 Ų | 104.1 | 49% | 0.492 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70.3 | -43.1 | 177.2 | -63.4 | 170.5 | 0 | 0 | 0 | 109.4 | D380 E385 L386 E387 | D380-I383 PolarHBondContact O-N 3.36Å; D380-I383 VanDerWaalsContact O-N 3.11Å; I383-E385 VanDerWaalsContact C-N 3.3Å; I383-E385 PolarHBondContact O-N 3.18Å; I383-L386 PolarHBondContact O-N 3.24Å; I383-E387 WeakPolarHBondContact O-CB 3.31Å; I383-E387 PolarHBondContact O-N 3.44Å |
| 384 | S | 84.7 | Confident | 73.7 | Confident | 67 Ų | 67 | 102.3 Ų | 102.3 | 47% | 0.469 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -57.9 | -38.2 | 174.3 | -73.7 | 0 | 0 | 0 | 0 | 113.3 | D380 A388 | D380-S384 PolarHBondContact O-N 2.93Å; D380-S384 VanDerWaalsContact O-N 3.15Å; S384-A388 WeakPolarHBondContact O-CB 3.28Å; S384-A388 PolarHBondContact O-N 2.98Å |
| 385 | E | 84.2 | Confident | 75.7 | Confident | 147 Ų | 147 | 98.2 Ų | 98.2 | 69% | 0.687 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.6 | -41.4 | 177.3 | -171.6 | 166.9 | -156.1 | 0 | 0 | 112.3 | S381 G382 I383 A388 A389 | S381-E385 PolarHBondContact O-N 3.44Å; G382-E385 PolarHBondContact O-N 2.71Å; I383-E385 VanDerWaalsContact C-N 3.3Å; I383-E385 PolarHBondContact O-N 3.18Å; E385-A388 PolarHBondContact O-N 3.19Å; E385-A389 WeakPolarHBondContact O-CB 3.32Å; E385-A389 PolarHBondContact O-N 3.44Å |
| 386 | L | 90.7 | Very high | 77.9 | Confident | 118 Ų | 118 | 96.9 Ų | 96.9 | 62% | 0.618 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65 | -38.1 | 173.2 | -71.3 | 172.4 | 0 | 0 | 0 | 112.4 | G382 I383 A389 L390 | G382-L386 WeakPolarHBondContact O-CG 3.3Å; G382-L386 PolarHBondContact O-N 3.46Å; I383-L386 PolarHBondContact O-N 3.24Å; L386-A389 PolarHBondContact O-N 2.9Å; L386-L390 WeakPolarHBondContact O-CB 3.38Å; L386-L390 WeakPolarHBondContact O-CG 3.48Å; L386-L390 PolarHBondContact O-N 2.9Å |
| 387 | E | 89.5 | Confident | 80.3 | Confident | 95 Ų | 95 | 94.8 Ų | 94.8 | 44% | 0.444 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 172.1 | -86.7 | -157 | -163.6 | 0 | 0 | 112.4 | I383 K391 | I383-E387 WeakPolarHBondContact O-CB 3.31Å; I383-E387 PolarHBondContact O-N 3.44Å; E387-K391 WeakPolarHBondContact O-CB 3.36Å; E387-K391 VanDerWaalsContact O-CD 3.27Å; E387-K391 WeakPolarHBondContact O-CD 3.33Å; E387-K391 WeakPolarHBondContact O-CG 3.39Å; E387-K391 PolarHBondContact O-N 2.84Å; E387-K391 IonicContact OE2-NZ 3.59Å; E387-K391 PolarHBondContact OE2-NZ 3.19Å |
| 388 | A | 90.6 | Very high | 82.8 | Confident | 56 Ų | 56 | 93.6 Ų | 93.6 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S384 E385 L390 K391 D392 | S384-A388 WeakPolarHBondContact O-CB 3.28Å; S384-A388 PolarHBondContact O-N 2.98Å; E385-A388 PolarHBondContact O-N 3.19Å; A388-L390 PolarHBondContact O-N 3.39Å; A388-K391 PolarHBondContact O-N 3.23Å; A388-D392 WeakPolarHBondContact O-CB 3.48Å; A388-D392 PolarHBondContact O-N 3.04Å |
| 389 | A | 92.9 | Very high | 85.1 | Confident | 49 Ų | 49 | 95.4 Ų | 95.4 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E385 L386 D392 R393 | E385-A389 WeakPolarHBondContact O-CB 3.32Å; E385-A389 PolarHBondContact O-N 3.44Å; L386-A389 PolarHBondContact O-N 2.9Å; A389-D392 PolarHBondContact O-N 3.5Å; A389-R393 WeakPolarHBondContact O-CG 3.43Å; A389-R393 PolarHBondContact O-N 3.23Å |
| 390 | L | 91.9 | Very high | 87.4 | Confident | 116 Ų | 116 | 94.2 Ų | 94.2 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.6 | -45.5 | 173.1 | -77 | 169.2 | 0 | 0 | 0 | 111.6 | L386 A388 D392 R393 D394 | L386-L390 WeakPolarHBondContact O-CB 3.38Å; L386-L390 WeakPolarHBondContact O-CG 3.48Å; L386-L390 PolarHBondContact O-N 2.9Å; A388-L390 PolarHBondContact O-N 3.39Å; L390-D392 VanDerWaalsContact C-N 3.31Å; L390-D392 PolarHBondContact O-N 3.16Å; L390-R393 PolarHBondContact O-N 2.91Å; L390-D394 WeakPolarHBondContact O-CB 3.39Å; L390-D394 PolarHBondContact O-N 3.41Å |
| 391 | K | 93.8 | Very high | 89.2 | Confident | 127 Ų | 127 | 98 Ų | 98 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.6 | -37.1 | 177 | -70.1 | 159.2 | -164.9 | 162.1 | 0 | 112.1 | E387 A388 S395 | E387-K391 WeakPolarHBondContact O-CB 3.36Å; E387-K391 VanDerWaalsContact O-CD 3.27Å; E387-K391 WeakPolarHBondContact O-CD 3.33Å; E387-K391 WeakPolarHBondContact O-CG 3.39Å; E387-K391 PolarHBondContact O-N 2.84Å; E387-K391 IonicContact OE2-NZ 3.59Å; E387-K391 PolarHBondContact OE2-NZ 3.19Å; A388-K391 PolarHBondContact O-N 3.23Å; K391-S395 WeakPolarHBondContact O-CB 3.44Å; K391-S395 PolarHBondContact O-N 3.44Å |
| 392 | D | 92.8 | Very high | 90.9 | Very high | 98 Ų | 98 | 99.4 Ų | 99.4 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -51.7 | 173.3 | -175 | 63.8 | 0 | 0 | 0 | 111.5 | A388 A389 L390 D394 S395 E396 | A388-D392 WeakPolarHBondContact O-CB 3.48Å; A388-D392 PolarHBondContact O-N 3.04Å; A389-D392 PolarHBondContact O-N 3.5Å; L390-D392 VanDerWaalsContact C-N 3.31Å; L390-D392 PolarHBondContact O-N 3.16Å; D392-D394 PolarHBondContact O-N 3.27Å; D392-S395 CarbonylContact O-C 3.58Å; D392-S395 WeakPolarHBondContact O-CA 3.39Å; D392-S395 WeakPolarHBondContact O-CB 3.43Å; D392-S395 PolarHBondContact O-N 2.92Å; D392-S395 PolarHBondContact O-OG 2.99Å; D392-E396 PolarHBondContact O-N 3.42Å |
| 393 | R | 93.8 | Very high | 92 | Very high | 114 Ų | 114 | 98.9 Ų | 98.9 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.9 | -32.3 | 178.2 | -64.5 | -62.2 | -176.3 | 86.6 | 6.7 | 113.5 | A389 L390 S395 E396 L397 D813 | A389-R393 WeakPolarHBondContact O-CG 3.43Å; A389-R393 PolarHBondContact O-N 3.23Å; L390-R393 PolarHBondContact O-N 2.91Å; R393-S395 VanDerWaalsContact C-N 3.32Å; R393-E396 WeakPolarHBondContact CD-OE2 3.49Å; R393-E396 PolarHBondContact O-N 3.46Å; R393-L397 WeakPolarHBondContact O-CB 3.46Å; R393-L397 VanDerWaalsContact O-CG 3.26Å; R393-L397 WeakPolarHBondContact O-CG 3.33Å; R393-L397 PolarHBondContact O-N 2.93Å; R393-D813 IonicContact CZ-OD2 2.74Å; R393-D813 IonicContact NH1-OD2 3.52Å; R393-D813 PolarHBondContact NH1-OD2 2.94Å; R393-D813 IonicContact NH2-OD1 3.71Å; R393-D813 IonicContact NH2-OD2 3.71Å |
| 394 | D | 94.8 | Very high | 92.6 | Very high | 104 Ų | 104 | 100.5 Ų | 100.5 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.1 | -35.8 | 170.1 | -87.1 | -33.3 | 0 | 0 | 0 | 111.4 | L390 D392 S398 | L390-D394 WeakPolarHBondContact O-CB 3.39Å; L390-D394 PolarHBondContact O-N 3.41Å; D392-D394 PolarHBondContact O-N 3.27Å; D394-S398 VanDerWaalsContact O-CB 3.31Å; D394-S398 WeakPolarHBondContact O-CB 3.35Å; D394-S398 PolarHBondContact O-N 3.46Å |
| 395 | S | 94.3 | Very high | 93.1 | Very high | 67 Ų | 67 | 102 Ų | 102 | 47% | 0.469 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.4 | -40.1 | 173.3 | 88.8 | 0 | 0 | 0 | 0 | 112 | K391 D392 R393 S398 Y399 | K391-S395 WeakPolarHBondContact O-CB 3.44Å; K391-S395 PolarHBondContact O-N 3.44Å; D392-S395 CarbonylContact O-C 3.58Å; D392-S395 WeakPolarHBondContact O-CA 3.39Å; D392-S395 WeakPolarHBondContact O-CB 3.43Å; D392-S395 PolarHBondContact O-N 2.92Å; D392-S395 PolarHBondContact O-OG 2.99Å; R393-S395 VanDerWaalsContact C-N 3.32Å; S395-S398 WeakPolarHBondContact O-CB 3.5Å; S395-S398 PolarHBondContact O-N 3.07Å; S395-Y399 WeakPolarHBondContact O-CB 3.47Å; S395-Y399 PolarHBondContact O-N 3.27Å |
| 396 | E | 95.1 | Very high | 93.6 | Very high | 97 Ų | 97 | 100.5 Ų | 100.5 | 45% | 0.453 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -46.3 | 173.3 | -171 | -171.3 | -170 | 0 | 0 | 111 | D392 R393 S398 Y399 L400 | D392-E396 PolarHBondContact O-N 3.42Å; R393-E396 WeakPolarHBondContact CD-OE2 3.49Å; R393-E396 PolarHBondContact O-N 3.46Å; E396-S398 VanDerWaalsContact C-N 3.32Å; E396-S398 PolarHBondContact O-N 3.33Å; E396-Y399 PolarHBondContact O-N 2.95Å; E396-L400 HydrophobicContact CG-CD1 4.07Å; E396-L400 HydrophobicContact CG-CG 4.47Å; E396-L400 WeakPolarHBondContact O-CB 3.26Å; E396-L400 VanDerWaalsContact O-CG 3.3Å; E396-L400 WeakPolarHBondContact O-CG 3.37Å; E396-L400 PolarHBondContact O-N 3.44Å |
| 397 | L | 93.4 | Very high | 93.7 | Very high | 79 Ų | 79 | 98.9 Ų | 98.9 | 41% | 0.414 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -35.9 | 176.1 | -74.3 | 171.6 | 0 | 0 | 0 | 112.3 | R393 R401 | R393-L397 WeakPolarHBondContact O-CB 3.46Å; R393-L397 VanDerWaalsContact O-CG 3.26Å; R393-L397 WeakPolarHBondContact O-CG 3.33Å; R393-L397 PolarHBondContact O-N 2.93Å; L397-R401 WeakPolarHBondContact O-CB 3.5Å; L397-R401 WeakPolarHBondContact O-CD 3.29Å; L397-R401 VanDerWaalsContact O-CG 3.23Å; L397-R401 WeakPolarHBondContact O-CG 3.43Å; L397-R401 PolarHBondContact O-N 3.01Å |
| 398 | S | 93.7 | Very high | 93.9 | Very high | 70 Ų | 70 | 99.6 Ų | 99.6 | 49% | 0.49 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.5 | -47 | 173.3 | -168.1 | 0 | 0 | 0 | 0 | 111.5 | D394 S395 E396 L400 R401 Q402 | D394-S398 VanDerWaalsContact O-CB 3.31Å; D394-S398 WeakPolarHBondContact O-CB 3.35Å; D394-S398 PolarHBondContact O-N 3.46Å; S395-S398 WeakPolarHBondContact O-CB 3.5Å; S395-S398 PolarHBondContact O-N 3.07Å; E396-S398 VanDerWaalsContact C-N 3.32Å; E396-S398 PolarHBondContact O-N 3.33Å; S398-L400 PolarHBondContact O-N 2.87Å; S398-R401 PolarHBondContact O-N 3.45Å; S398-Q402 PolarHBondContact O-N 2.97Å |
| 399 | Y | 95.5 | Very high | 94.1 | Very high | 162 Ų | 162 | 102.5 Ų | 102.5 | 64% | 0.635 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 175.4 | 176.6 | -101.3 | 0 | 0 | 0 | 112.2 | S395 E396 R401 Q402 A403 | S395-Y399 WeakPolarHBondContact O-CB 3.47Å; S395-Y399 PolarHBondContact O-N 3.27Å; E396-Y399 PolarHBondContact O-N 2.95Å; Y399-R401 PolarHBondContact O-N 3.43Å; Y399-Q402 PolarHBondContact O-N 3.43Å; Y399-A403 WeakPolarHBondContact O-CB 3.49Å; Y399-A403 PolarHBondContact O-N 2.89Å |
| 400 | L | 96.4 | Very high | 94.1 | Very high | 75 Ų | 75 | 103.4 Ų | 103.4 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -37.2 | 176.9 | -73.3 | 171.8 | 0 | 0 | 0 | 112.3 | E396 S398 A403 M404 | E396-L400 HydrophobicContact CG-CD1 4.07Å; E396-L400 HydrophobicContact CG-CG 4.47Å; E396-L400 WeakPolarHBondContact O-CB 3.26Å; E396-L400 VanDerWaalsContact O-CG 3.3Å; E396-L400 WeakPolarHBondContact O-CG 3.37Å; E396-L400 PolarHBondContact O-N 3.44Å; S398-L400 PolarHBondContact O-N 2.87Å; L400-A403 PolarHBondContact O-N 3.18Å; L400-M404 WeakPolarHBondContact O-CB 3.43Å; L400-M404 VanDerWaalsContact O-CG 3.28Å; L400-M404 WeakPolarHBondContact O-CG 3.43Å; L400-M404 PolarHBondContact O-N 3.46Å |
| 401 | R | 94.8 | Very high | 94 | Very high | 178 Ų | 178 | 102.4 Ų | 102.4 | 67% | 0.672 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.8 | -47.3 | 171.9 | -76.1 | 167.1 | 179.8 | 160.4 | 2.8 | 111.4 | L397 S398 Y399 A403 M404 E405 | L397-R401 WeakPolarHBondContact O-CB 3.5Å; L397-R401 WeakPolarHBondContact O-CD 3.29Å; L397-R401 VanDerWaalsContact O-CG 3.23Å; L397-R401 WeakPolarHBondContact O-CG 3.43Å; L397-R401 PolarHBondContact O-N 3.01Å; S398-R401 PolarHBondContact O-N 3.45Å; Y399-R401 PolarHBondContact O-N 3.43Å; R401-A403 VanDerWaalsContact C-N 3.35Å; R401-A403 PolarHBondContact O-N 2.9Å; R401-M404 PolarHBondContact O-N 2.97Å; R401-E405 PolarHBondContact O-N 3.35Å |
| 402 | Q | 95.1 | Very high | 93.8 | Very high | 132 Ų | 132 | 102 Ų | 102 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.1 | -40 | 177.5 | -170.7 | 179.9 | 11.1 | 0 | 0 | 112.1 | S398 Y399 E405 H406 | S398-Q402 PolarHBondContact O-N 2.97Å; Y399-Q402 PolarHBondContact O-N 3.43Å; Q402-E405 PolarHBondContact O-N 3.29Å; Q402-H406 WeakPolarHBondContact O-CB 3.3Å; Q402-H406 PolarHBondContact O-N 3.31Å |
| 403 | A | 94.8 | Very high | 93.8 | Very high | 29 Ų | 29 | 101.8 Ų | 101.8 | 24% | 0.24 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y399 L400 R401 H406 N407 | Y399-A403 WeakPolarHBondContact O-CB 3.49Å; Y399-A403 PolarHBondContact O-N 2.89Å; L400-A403 PolarHBondContact O-N 3.18Å; R401-A403 VanDerWaalsContact C-N 3.35Å; R401-A403 PolarHBondContact O-N 2.9Å; A403-H406 PolarHBondContact O-N 3.36Å; A403-N407 WeakPolarHBondContact O-CB 3.42Å; A403-N407 PolarHBondContact O-N 3.35Å; A403-N407 PolarHBondContact O-ND2 2.92Å; A403-N407 VanDerWaalsContact O-ND2 3.12Å |
| 404 | M | 91.7 | Very high | 93.7 | Very high | 130 Ų | 130 | 99.4 Ų | 99.4 | 64% | 0.64 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.5 | -46.2 | 173 | -77.6 | -64.8 | -62.9 | 0 | 0 | 111.9 | L400 R401 H406 N407 E408 | L400-M404 WeakPolarHBondContact O-CB 3.43Å; L400-M404 VanDerWaalsContact O-CG 3.28Å; L400-M404 WeakPolarHBondContact O-CG 3.43Å; L400-M404 PolarHBondContact O-N 3.46Å; R401-M404 PolarHBondContact O-N 2.97Å; M404-H406 VanDerWaalsContact C-N 3.32Å; M404-H406 PolarHBondContact O-N 2.86Å; M404-N407 PolarHBondContact O-N 2.89Å; M404-E408 WeakPolarHBondContact O-CB 3.47Å; M404-E408 PolarHBondContact O-N 2.77Å |
| 405 | E | 94.8 | Very high | 93.4 | Very high | 98 Ų | 98 | 99.3 Ų | 99.3 | 46% | 0.458 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 177.3 | -162.7 | -162.2 | 162.6 | 0 | 0 | 111.9 | R401 Q402 K409 | R401-E405 PolarHBondContact O-N 3.35Å; Q402-E405 PolarHBondContact O-N 3.29Å; E405-K409 VanDerWaalsContact CD-NZ 3.27Å; E405-K409 WeakPolarHBondContact O-CD 3.46Å; E405-K409 VanDerWaalsContact O-CG 3.27Å; E405-K409 WeakPolarHBondContact O-CG 3.26Å; E405-K409 PolarHBondContact O-N 2.92Å; E405-K409 VanDerWaalsContact O-N 3.13Å; E405-K409 VanDerWaalsContact OE1-CE 3.29Å; E405-K409 WeakPolarHBondContact OE1-CE 3.42Å; E405-K409 IonicContact OE1-NZ 2.71Å; E405-K409 PolarHBondContact OE1-NZ 3.11Å; E405-K409 IonicContact OE2-NZ 2.66Å |
| 406 | H | 94.4 | Very high | 93.3 | Very high | 116 Ų | 116 | 102.2 Ų | 102.2 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.7 | -48.2 | 172.8 | -179.5 | 78.6 | 0 | 0 | 0 | 111.8 | Q402 A403 M404 E408 K409 V410 | Q402-H406 WeakPolarHBondContact O-CB 3.3Å; Q402-H406 PolarHBondContact O-N 3.31Å; A403-H406 PolarHBondContact O-N 3.36Å; M404-H406 VanDerWaalsContact C-N 3.32Å; M404-H406 PolarHBondContact O-N 2.86Å; H406-E408 VanDerWaalsContact C-N 3.32Å; H406-E408 PolarHBondContact O-N 3.46Å; H406-K409 PolarHBondContact O-N 3Å; H406-V410 WeakPolarHBondContact O-CG2 3.4Å; H406-V410 PolarHBondContact O-N 3Å |
| 407 | N | 94 | Very high | 93.1 | Very high | 84 Ų | 84 | 101.6 Ų | 101.6 | 45% | 0.449 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 178 | -74.4 | -29.7 | 0 | 0 | 0 | 111.8 | A403 M404 V410 I411 | A403-N407 WeakPolarHBondContact O-CB 3.42Å; A403-N407 PolarHBondContact O-N 3.35Å; A403-N407 PolarHBondContact O-ND2 2.92Å; A403-N407 VanDerWaalsContact O-ND2 3.12Å; M404-N407 PolarHBondContact O-N 2.89Å; N407-V410 PolarHBondContact O-N 3.38Å; N407-I411 WeakPolarHBondContact O-CB 3.47Å; N407-I411 WeakPolarHBondContact O-CD1 3.33Å; N407-I411 WeakPolarHBondContact O-CG1 3.33Å; N407-I411 PolarHBondContact O-N 2.86Å |
| 408 | E | 92.5 | Very high | 93 | Very high | 110 Ų | 110 | 103.7 Ų | 103.7 | 51% | 0.514 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -47.5 | 174.3 | 179.9 | 168.8 | -155.1 | 0 | 0 | 111.6 | M404 H406 V410 I411 F412 | M404-E408 WeakPolarHBondContact O-CB 3.47Å; M404-E408 PolarHBondContact O-N 2.77Å; H406-E408 VanDerWaalsContact C-N 3.32Å; H406-E408 PolarHBondContact O-N 3.46Å; E408-V410 PolarHBondContact O-N 3.36Å; E408-I411 PolarHBondContact O-N 3.32Å; E408-F412 HydrophobicContact CG-CD2 3.73Å; E408-F412 HydrophobicContact CG-CE2 3.65Å; E408-F412 WeakPolarHBondContact O-CD2 3.44Å; E408-F412 PolarHBondContact O-N 3.05Å |
| 409 | K | 95 | Very high | 92.7 | Very high | 118 Ų | 118 | 105.4 Ų | 105.4 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 175.5 | -72 | 165.4 | -174.2 | 169.9 | 0 | 112.4 | E405 H406 F412 Q413 | E405-K409 VanDerWaalsContact CD-NZ 3.27Å; E405-K409 WeakPolarHBondContact O-CD 3.46Å; E405-K409 VanDerWaalsContact O-CG 3.27Å; E405-K409 WeakPolarHBondContact O-CG 3.26Å; E405-K409 PolarHBondContact O-N 2.92Å; E405-K409 VanDerWaalsContact O-N 3.13Å; E405-K409 VanDerWaalsContact OE1-CE 3.29Å; E405-K409 WeakPolarHBondContact OE1-CE 3.42Å; E405-K409 IonicContact OE1-NZ 2.71Å; E405-K409 PolarHBondContact OE1-NZ 3.11Å; E405-K409 IonicContact OE2-NZ 2.66Å; H406-K409 PolarHBondContact O-N 3Å; K409-F412 PolarHBondContact O-N 3.09Å; K409-Q413 WeakPolarHBondContact O-CB 3.36Å; K409-Q413 PolarHBondContact O-N 3.44Å |
| 410 | V | 93.4 | Very high | 92.6 | Very high | 67 Ų | 67 | 100.8 Ų | 100.8 | 41% | 0.406 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 176 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | H406 N407 E408 Q413 V414 | H406-V410 WeakPolarHBondContact O-CG2 3.4Å; H406-V410 PolarHBondContact O-N 3Å; N407-V410 PolarHBondContact O-N 3.38Å; E408-V410 PolarHBondContact O-N 3.36Å; V410-Q413 PolarHBondContact O-N 3.47Å; V410-V414 HydrophobicContact CG1-CG2 4.39Å; V410-V414 WeakPolarHBondContact O-CB 3.5Å; V410-V414 VanDerWaalsContact O-CG2 3.31Å; V410-V414 WeakPolarHBondContact O-CG2 3.35Å; V410-V414 PolarHBondContact O-N 3.32Å |
| 411 | I | 89.2 | Confident | 92.2 | Very high | 95 Ų | 95 | 103.6 Ų | 103.6 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -46.6 | 176.6 | -71.7 | 164.2 | 0 | 0 | 0 | 110.9 | N407 E408 Q413 V414 Q415 | N407-I411 WeakPolarHBondContact O-CB 3.47Å; N407-I411 WeakPolarHBondContact O-CD1 3.33Å; N407-I411 WeakPolarHBondContact O-CG1 3.33Å; N407-I411 PolarHBondContact O-N 2.86Å; E408-I411 PolarHBondContact O-N 3.32Å; I411-Q413 PolarHBondContact O-N 2.85Å; I411-V414 PolarHBondContact O-N 3.46Å; I411-Q415 HydrophobicContact CG2-CG 4.45Å; I411-Q415 VanDerWaalsContact CG2-NE2 3.32Å; I411-Q415 WeakPolarHBondContact O-CB 3.26Å; I411-Q415 VanDerWaalsContact O-CG 3.27Å; I411-Q415 WeakPolarHBondContact O-CG 3.43Å; I411-Q415 PolarHBondContact O-N 3.41Å |
| 412 | F | 89.8 | Confident | 91.9 | Very high | 120 Ų | 120 | 101.6 Ų | 101.6 | 53% | 0.526 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.4 | -86.9 | -64.9 | 0 | 0 | 0 | 112.5 | E408 K409 Q415 K416 | E408-F412 HydrophobicContact CG-CD2 3.73Å; E408-F412 HydrophobicContact CG-CE2 3.65Å; E408-F412 WeakPolarHBondContact O-CD2 3.44Å; E408-F412 PolarHBondContact O-N 3.05Å; K409-F412 PolarHBondContact O-N 3.09Å; F412-Q415 PolarHBondContact O-N 3.08Å; F412-K416 WeakPolarHBondContact O-CB 3.32Å; F412-K416 PolarHBondContact O-N 3.5Å |
| 413 | Q | 92.6 | Very high | 91.5 | Very high | 93 Ų | 93 | 101.4 Ų | 101.4 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 177.2 | -174.4 | 56.8 | 43.9 | 0 | 0 | 111.1 | K409 V410 I411 Q415 K416 D417 | K409-Q413 WeakPolarHBondContact O-CB 3.36Å; K409-Q413 PolarHBondContact O-N 3.44Å; V410-Q413 PolarHBondContact O-N 3.47Å; I411-Q413 PolarHBondContact O-N 2.85Å; Q413-Q415 VanDerWaalsContact C-N 3.29Å; Q413-Q415 PolarHBondContact O-N 2.93Å; Q413-K416 PolarHBondContact O-N 2.97Å; Q413-K416 VanDerWaalsContact O-N 3.16Å; Q413-D417 PolarHBondContact NE2-OD1 2.98Å; Q413-D417 PolarHBondContact NE2-OD2 2.89Å; Q413-D417 PolarHBondContact O-N 3.46Å |
| 414 | V | 92.5 | Very high | 91.3 | Very high | 63 Ų | 63 | 106.6 Ų | 106.6 | 38% | 0.382 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -31.8 | 177.5 | 170.4 | 0 | 0 | 0 | 0 | 112.6 | V410 I411 K418 | V410-V414 HydrophobicContact CG1-CG2 4.39Å; V410-V414 WeakPolarHBondContact O-CB 3.5Å; V410-V414 VanDerWaalsContact O-CG2 3.31Å; V410-V414 WeakPolarHBondContact O-CG2 3.35Å; V410-V414 PolarHBondContact O-N 3.32Å; I411-V414 PolarHBondContact O-N 3.46Å; V414-K418 HydrophobicContact CG1-CD 4.11Å; V414-K418 WeakPolarHBondContact O-CB 3.38Å; V414-K418 WeakPolarHBondContact O-CD 3.38Å; V414-K418 WeakPolarHBondContact O-CG 3.43Å; V414-K418 PolarHBondContact O-N 2.72Å |
| 415 | Q | 89.3 | Confident | 91.1 | Very high | 103 Ų | 103 | 101.7 Ų | 101.7 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.8 | -44.9 | 172.6 | -75.9 | 179.7 | 18.9 | 0 | 0 | 111.8 | I411 F412 Q413 K418 E419 | I411-Q415 HydrophobicContact CG2-CG 4.45Å; I411-Q415 VanDerWaalsContact CG2-NE2 3.32Å; I411-Q415 WeakPolarHBondContact O-CB 3.26Å; I411-Q415 VanDerWaalsContact O-CG 3.27Å; I411-Q415 WeakPolarHBondContact O-CG 3.43Å; I411-Q415 PolarHBondContact O-N 3.41Å; F412-Q415 PolarHBondContact O-N 3.08Å; Q413-Q415 VanDerWaalsContact C-N 3.29Å; Q413-Q415 PolarHBondContact O-N 2.93Å; Q415-K418 PolarHBondContact O-N 3.02Å; Q415-E419 PolarHBondContact O-N 3.07Å |
| 416 | K | 92 | Very high | 90.4 | Very high | 127 Ų | 127 | 100.2 Ų | 100.2 | 55% | 0.552 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63 | -44.8 | 178.4 | -175.8 | 180 | 178.3 | -175.9 | 0 | 112.4 | F412 Q413 K418 E419 V420 | F412-K416 WeakPolarHBondContact O-CB 3.32Å; F412-K416 PolarHBondContact O-N 3.5Å; Q413-K416 PolarHBondContact O-N 2.97Å; Q413-K416 VanDerWaalsContact O-N 3.16Å; K416-K418 VanDerWaalsContact C-N 3.28Å; K416-K418 PolarHBondContact O-N 3.02Å; K416-E419 PolarHBondContact O-N 3.34Å; K416-V420 WeakPolarHBondContact O-CG2 3.44Å; K416-V420 PolarHBondContact O-N 3.46Å |
| 417 | D | 89.7 | Confident | 90 | Very high | 85 Ų | 85 | 98.9 Ų | 98.9 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.6 | -34.2 | 177.7 | -65.8 | -30.2 | 0 | 0 | 0 | 111.6 | Q413 Y421 | Q413-D417 PolarHBondContact NE2-OD1 2.98Å; Q413-D417 PolarHBondContact NE2-OD2 2.89Å; Q413-D417 PolarHBondContact O-N 3.46Å; D417-Y421 VanDerWaalsContact O-CB 3.32Å; D417-Y421 WeakPolarHBondContact O-CB 3.38Å; D417-Y421 PolarHBondContact O-N 3.21Å |
| 418 | K | 91.5 | Very high | 90 | Very high | 122 Ų | 122 | 100 Ų | 100 | 53% | 0.53 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 171.1 | -76.1 | 170.8 | -177 | 171.2 | 0 | 112.5 | V414 Q415 K416 Y421 W422 | V414-K418 HydrophobicContact CG1-CD 4.11Å; V414-K418 WeakPolarHBondContact O-CB 3.38Å; V414-K418 WeakPolarHBondContact O-CD 3.38Å; V414-K418 WeakPolarHBondContact O-CG 3.43Å; V414-K418 PolarHBondContact O-N 2.72Å; Q415-K418 PolarHBondContact O-N 3.02Å; K416-K418 VanDerWaalsContact C-N 3.28Å; K416-K418 PolarHBondContact O-N 3.02Å; K418-Y421 PolarHBondContact O-N 3.48Å; K418-W422 WeakPolarHBondContact O-CB 3.38Å; K418-W422 PolarHBondContact O-N 2.9Å |
| 419 | E | 88.2 | Confident | 89.5 | Confident | 107 Ų | 107 | 97.4 Ų | 97.4 | 50% | 0.5 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.7 | -51.6 | 175.3 | -171.9 | 167.8 | -139.9 | 0 | 0 | 110.2 | Q415 K416 Y421 W422 E423 | Q415-E419 PolarHBondContact O-N 3.07Å; K416-E419 PolarHBondContact O-N 3.34Å; E419-Y421 PolarHBondContact O-N 3.26Å; E419-W422 PolarHBondContact O-N 3.34Å; E419-E423 WeakPolarHBondContact O-CG 3.37Å; E419-E423 PolarHBondContact O-N 2.88Å |
| 420 | V | 91.9 | Very high | 88.9 | Confident | 65 Ų | 65 | 98.7 Ų | 98.7 | 39% | 0.394 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 176 | 172.7 | 0 | 0 | 0 | 0 | 112.1 | K416 E423 H424 | K416-V420 WeakPolarHBondContact O-CG2 3.44Å; K416-V420 PolarHBondContact O-N 3.46Å; V420-E423 PolarHBondContact O-N 2.96Å; V420-H424 PolarHBondContact O-CD2 3.25Å; V420-H424 PolarHBondContact O-N 3.48Å |
| 421 | Y | 89.4 | Confident | 88.6 | Confident | 133 Ų | 133 | 100.3 Ų | 100.3 | 52% | 0.522 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 175.2 | 178.1 | -92.2 | 0 | 0 | 0 | 112.1 | D417 K418 E419 E423 H424 E425 | D417-Y421 VanDerWaalsContact O-CB 3.32Å; D417-Y421 WeakPolarHBondContact O-CB 3.38Å; D417-Y421 PolarHBondContact O-N 3.21Å; K418-Y421 PolarHBondContact O-N 3.48Å; E419-Y421 PolarHBondContact O-N 3.26Å; Y421-E423 VanDerWaalsContact C-N 3.33Å; Y421-E423 PolarHBondContact O-N 2.87Å; Y421-H424 PolarHBondContact O-N 3.46Å; Y421-E425 WeakPolarHBondContact O-CB 3.49Å; Y421-E425 PolarHBondContact O-N 3.4Å |
| 422 | W | 87.8 | Confident | 88.4 | Confident | 137 Ų | 137 | 98.2 Ų | 98.2 | 52% | 0.519 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.4 | -34.2 | 179.2 | -73.6 | 121.3 | 0 | 0 | 0 | 112.5 | K418 E419 T426 | K418-W422 WeakPolarHBondContact O-CB 3.38Å; K418-W422 PolarHBondContact O-N 2.9Å; E419-W422 PolarHBondContact O-N 3.34Å; W422-T426 WeakPolarHBondContact O-CB 3.48Å; W422-T426 PolarHBondContact O-N 3.03Å; W422-T426 PolarHBondContact O-OG1 2.83Å |
| 423 | E | 87 | Confident | 87.8 | Confident | 127 Ų | 127 | 97.7 Ų | 97.7 | 59% | 0.593 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -65.5 | -49.2 | 173.7 | -73.2 | -162.4 | 139.1 | 0 | 0 | 112.1 | E419 V420 Y421 E425 T426 Q427 | E419-E423 WeakPolarHBondContact O-CG 3.37Å; E419-E423 PolarHBondContact O-N 2.88Å; V420-E423 PolarHBondContact O-N 2.96Å; Y421-E423 VanDerWaalsContact C-N 3.33Å; Y421-E423 PolarHBondContact O-N 2.87Å; E423-E425 PolarHBondContact O-N 2.98Å; E423-T426 PolarHBondContact O-N 2.92Å; E423-Q427 WeakPolarHBondContact O-CB 3.26Å; E423-Q427 PolarHBondContact O-N 2.87Å |
| 424 | H | 91.2 | Very high | 87 | Confident | 139 Ų | 139 | 97.2 Ų | 97.2 | 64% | 0.644 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59.2 | -45.5 | 176.1 | -87.9 | -74.7 | 0 | 0 | 0 | 111.9 | V420 Y421 Q427 R428 | V420-H424 PolarHBondContact O-CD2 3.25Å; V420-H424 PolarHBondContact O-N 3.48Å; Y421-H424 PolarHBondContact O-N 3.46Å; H424-Q427 PolarHBondContact O-N 3.23Å; H424-R428 WeakPolarHBondContact O-CB 3.27Å; H424-R428 PolarHBondContact O-N 3.03Å |
| 425 | E | 86.4 | Confident | 86.5 | Confident | 27 Ų | 27 | 95.9 Ų | 95.9 | 13% | 0.126 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.6 | -43.6 | 179.5 | -178.8 | 50 | -145.9 | 0 | 0 | 111.7 | Y421 E423 Q427 R428 L429 | Y421-E425 WeakPolarHBondContact O-CB 3.49Å; Y421-E425 PolarHBondContact O-N 3.4Å; E423-E425 PolarHBondContact O-N 2.98Å; E425-Q427 VanDerWaalsContact C-N 3.25Å; E425-Q427 PolarHBondContact O-N 3.45Å; E425-R428 VanDerWaalsContact CD-NH2 3.34Å; E425-R428 WeakPolarHBondContact O-CB 3.47Å; E425-R428 PolarHBondContact O-N 3.42Å; E425-R428 IonicContact OE1-CZ 2.67Å; E425-R428 IonicContact OE1-NE 2.65Å; E425-R428 PolarHBondContact OE1-NE 2.95Å; E425-R428 IonicContact OE1-NH2 2.65Å; E425-R428 PolarHBondContact OE1-NH2 3.28Å; E425-R428 IonicContact OE2-CZ 3.47Å; E425-R428 IonicContact OE2-NE 2.78Å; E425-R428 PolarHBondContact OE2-NE 3.02Å; E425-R428 IonicContact OE2-NH2 2.79Å; E425-R428 PolarHBondContact OE2-NH2 3.05Å; E425-L429 HydrophobicContact CG-CD1 4.18Å; E425-L429 WeakPolarHBondContact O-CB 3.5Å; E425-L429 WeakPolarHBondContact O-CG 3.29Å; E425-L429 PolarHBondContact O-N 3.27Å; E425-L429 WeakPolarHBondContact OE1-CD1 3.4Å; E425-L429 VanDerWaalsContact OE1-CG 3.31Å; E425-L429 WeakPolarHBondContact OE1-CG 3.49Å |
| 426 | T | 79.7 | Confident | 85.9 | Confident | 66 Ų | 66 | 91.9 Ų | 91.9 | 41% | 0.405 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.2 | -31.8 | 174.8 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | W422 E423 R430 | W422-T426 WeakPolarHBondContact O-CB 3.48Å; W422-T426 PolarHBondContact O-N 3.03Å; W422-T426 PolarHBondContact O-OG1 2.83Å; E423-T426 PolarHBondContact O-N 2.92Å; T426-R430 WeakPolarHBondContact O-CB 3.36Å; T426-R430 WeakPolarHBondContact O-CG 3.39Å; T426-R430 PolarHBondContact O-N 3.36Å; T426-R430 PolarHBondContact O-NE 3.41Å; T426-R430 VanDerWaalsContact O-NE 3.11Å |
| 427 | Q | 87.7 | Confident | 84.6 | Confident | 88 Ų | 88 | 91.7 Ų | 91.7 | 41% | 0.411 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -75.4 | -39.7 | 174.6 | -169.5 | 65.3 | -3 | 0 | 0 | 112.2 | E423 H424 E425 R430 L431 | E423-Q427 WeakPolarHBondContact O-CB 3.26Å; E423-Q427 PolarHBondContact O-N 2.87Å; H424-Q427 PolarHBondContact O-N 3.23Å; E425-Q427 VanDerWaalsContact C-N 3.25Å; E425-Q427 PolarHBondContact O-N 3.45Å; Q427-R430 PolarHBondContact O-N 2.9Å; Q427-R430 VanDerWaalsContact OE1-CZ 3.22Å; Q427-L431 HydrophobicContact CG-CD1 4.37Å; Q427-L431 WeakPolarHBondContact O-CG 3.42Å; Q427-L431 PolarHBondContact O-N 3.44Å |
| 428 | R | 92.3 | Very high | 84.4 | Confident | 107 Ų | 107 | 94.3 Ų | 94.3 | 40% | 0.404 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.8 | -48 | 173.7 | -169.7 | -174.2 | 72.7 | 89.8 | -1.2 | 111.4 | H424 E425 L431 F432 | H424-R428 WeakPolarHBondContact O-CB 3.27Å; H424-R428 PolarHBondContact O-N 3.03Å; E425-R428 VanDerWaalsContact CD-NH2 3.34Å; E425-R428 WeakPolarHBondContact O-CB 3.47Å; E425-R428 PolarHBondContact O-N 3.42Å; E425-R428 IonicContact OE1-CZ 2.67Å; E425-R428 IonicContact OE1-NE 2.65Å; E425-R428 PolarHBondContact OE1-NE 2.95Å; E425-R428 IonicContact OE1-NH2 2.65Å; E425-R428 PolarHBondContact OE1-NH2 3.28Å; E425-R428 IonicContact OE2-CZ 3.47Å; E425-R428 IonicContact OE2-NE 2.78Å; E425-R428 PolarHBondContact OE2-NE 3.02Å; E425-R428 IonicContact OE2-NH2 2.79Å; E425-R428 PolarHBondContact OE2-NH2 3.05Å; R428-L431 PolarHBondContact O-N 3.12Å; R428-F432 VanDerWaalsContact O-CB 3.28Å; R428-F432 WeakPolarHBondContact O-CB 3.42Å; R428-F432 PolarHBondContact O-N 3Å |
| 429 | L | 83.7 | Confident | 83.4 | Confident | 57 Ų | 57 | 91.7 Ų | 91.7 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 176.8 | -72.6 | 166.1 | 0 | 0 | 0 | 112.2 | E425 F432 Y433 | E425-L429 HydrophobicContact CG-CD1 4.18Å; E425-L429 WeakPolarHBondContact O-CB 3.5Å; E425-L429 WeakPolarHBondContact O-CG 3.29Å; E425-L429 PolarHBondContact O-N 3.27Å; E425-L429 WeakPolarHBondContact OE1-CD1 3.4Å; E425-L429 VanDerWaalsContact OE1-CG 3.31Å; E425-L429 WeakPolarHBondContact OE1-CG 3.49Å; L429-F432 PolarHBondContact O-N 3.24Å; L429-Y433 HydrophobicContact CB-CE2 4.33Å; L429-Y433 HydrophobicContact CD2-CE2 4.32Å; L429-Y433 VanDerWaalsContact O-CD2 3.28Å; L429-Y433 WeakPolarHBondContact O-CD2 3.4Å; L429-Y433 PolarHBondContact O-N 3.32Å |
| 430 | R | 82.3 | Confident | 82.4 | Confident | 144 Ų | 144 | 88.3 Ų | 88.3 | 54% | 0.543 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.6 | -50.9 | 176 | -83.5 | -178.6 | -76.8 | -173.8 | -1.8 | 112.1 | T426 Q427 F432 Y433 E434 | T426-R430 WeakPolarHBondContact O-CB 3.36Å; T426-R430 WeakPolarHBondContact O-CG 3.39Å; T426-R430 PolarHBondContact O-N 3.36Å; T426-R430 PolarHBondContact O-NE 3.41Å; T426-R430 VanDerWaalsContact O-NE 3.11Å; Q427-R430 PolarHBondContact O-N 2.9Å; Q427-R430 VanDerWaalsContact OE1-CZ 3.22Å; R430-F432 VanDerWaalsContact C-N 3.34Å; R430-F432 PolarHBondContact O-N 2.98Å; R430-Y433 PolarHBondContact O-N 2.99Å; R430-E434 WeakPolarHBondContact O-CB 3.42Å; R430-E434 PolarHBondContact O-N 3.26Å |
| 431 | L | 86 | Confident | 81.3 | Confident | 102 Ų | 102 | 89.4 Ų | 89.4 | 53% | 0.534 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 179.7 | -68.7 | 171.5 | 0 | 0 | 0 | 112.4 | Q427 R428 G435 | Q427-L431 HydrophobicContact CG-CD1 4.37Å; Q427-L431 WeakPolarHBondContact O-CG 3.42Å; Q427-L431 PolarHBondContact O-N 3.44Å; R428-L431 PolarHBondContact O-N 3.12Å; L431-G435 PolarHBondContact O-N 2.87Å |
| 432 | F | 86 | Confident | 81.2 | Confident | 51 Ų | 51 | 88.1 Ų | 88.1 | 22% | 0.224 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 176.7 | 177.9 | -107.5 | 0 | 0 | 0 | 112.2 | A213 K215 R428 L429 R430 Q436 | A213-F432 HydrophobicContact CB-CE1 4.48Å; A213-F432 HydrophobicContact CB-CE2 3.92Å; A213-F432 HydrophobicContact CB-CZ 3.84Å; A213-F432 WeakPolarHBondContact O-CZ 3.25Å; K215-F432 HydrophobicContact CB-CZ 4.22Å; K215-F432 HydrophobicContact CG-CE1 4.15Å; K215-F432 HydrophobicContact CG-CE2 3.87Å; K215-F432 HydrophobicContact CG-CZ 3.41Å; K215-F432 VanDerWaalsContact CG-CZ 3.41Å; R428-F432 VanDerWaalsContact O-CB 3.28Å; R428-F432 WeakPolarHBondContact O-CB 3.42Å; R428-F432 PolarHBondContact O-N 3Å; L429-F432 PolarHBondContact O-N 3.24Å; R430-F432 VanDerWaalsContact C-N 3.34Å; R430-F432 PolarHBondContact O-N 2.98Å; F432-Q436 PolarHBondContact O-N 3.4Å |
| 433 | Y | 76.3 | Confident | 81 | Confident | 108 Ų | 108 | 87.7 Ų | 87.7 | 42% | 0.424 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.7 | -38.2 | 178.5 | -62.1 | -34 | 0 | 0 | 0 | 112.9 | P216 L429 R430 Q436 Q437 | P216-Y433 VanDerWaalsContact CD-CE1 3.41Å; P216-Y433 HydrophobicContact CG-CD1 3.66Å; P216-Y433 HydrophobicContact CG-CE1 3.39Å; L429-Y433 HydrophobicContact CB-CE2 4.33Å; L429-Y433 HydrophobicContact CD2-CE2 4.32Å; L429-Y433 VanDerWaalsContact O-CD2 3.28Å; L429-Y433 WeakPolarHBondContact O-CD2 3.4Å; L429-Y433 PolarHBondContact O-N 3.32Å; R430-Y433 PolarHBondContact O-N 2.99Å; Y433-Q436 PolarHBondContact O-N 3.05Å; Y433-Q437 WeakPolarHBondContact O-CB 3.49Å; Y433-Q437 PolarHBondContact O-N 3.45Å |
| 434 | E | 75.4 | Confident | 80.6 | Confident | 84 Ų | 84 | 84.6 Ų | 84.6 | 39% | 0.393 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 175.2 | -161.1 | -163.2 | 178 | 0 | 0 | 111.4 | R430 Q436 Q437 R438 | R430-E434 WeakPolarHBondContact O-CB 3.42Å; R430-E434 PolarHBondContact O-N 3.26Å; E434-Q436 VanDerWaalsContact C-N 3.32Å; E434-Q436 PolarHBondContact O-N 3.28Å; E434-Q437 PolarHBondContact O-N 3.02Å; E434-R438 VanDerWaalsContact O-CG 3.3Å; E434-R438 WeakPolarHBondContact O-CG 3.49Å; E434-R438 PolarHBondContact O-N 3.47Å; E434-R438 IonicContact OE1-CZ 3.03Å; E434-R438 IonicContact OE1-NE 3.37Å; E434-R438 PolarHBondContact OE1-NE 3.09Å; E434-R438 IonicContact OE1-NH2 2.7Å; E434-R438 PolarHBondContact OE1-NH2 3.35Å; E434-R438 IonicContact OE2-CZ 2.67Å; E434-R438 IonicContact OE2-NH2 3.39Å; E434-R438 PolarHBondContact OE2-NH2 3Å |
| 435 | G | 82.5 | Confident | 80.2 | Confident | 34 Ų | 34 | 84.9 Ų | 84.9 | 35% | 0.351 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -57.1 | -43.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L431 R438 E439 | L431-G435 PolarHBondContact O-N 2.87Å; G435-R438 PolarHBondContact O-N 3.49Å; G435-E439 PolarHBondContact O-N 3.13Å |
| 436 | Q | 76.2 | Confident | 80.3 | Confident | 19 Ų | 19 | 90.8 Ų | 90.8 | 9% | 0.089 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -69.5 | -37.1 | 176.9 | -167.9 | -175.6 | -12.3 | 0 | 0 | 113 | K215 P216 F432 Y433 E434 R438 E439 C440 | K215-Q436 VanDerWaalsContact CB-OE1 3.26Å; K215-Q436 HydrophobicContact CD-CG 4.08Å; K215-Q436 HydrophobicContact CG-CG 4.4Å; P216-Q436 VanDerWaalsContact CD-OE1 3.32Å; P216-Q436 PolarHBondContact O-NE2 2.94Å; P216-Q436 PolarHBondContact O-OE1 2.89Å; F432-Q436 PolarHBondContact O-N 3.4Å; Y433-Q436 PolarHBondContact O-N 3.05Å; E434-Q436 VanDerWaalsContact C-N 3.32Å; E434-Q436 PolarHBondContact O-N 3.28Å; Q436-R438 VanDerWaalsContact C-N 3.3Å; Q436-R438 PolarHBondContact O-N 3.08Å; Q436-E439 WeakPolarHBondContact O-CB 3.4Å; Q436-E439 PolarHBondContact O-N 3.3Å; Q436-C440 WeakPolarHBondContact O-CB 3.48Å; Q436-C440 PolarHBondContact O-N 2.85Å |
| 437 | Q | 65.2 | Low | 80.3 | Confident | 124 Ų | 124 | 92.3 Ų | 92.3 | 58% | 0.579 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -64 | -36.6 | 175.7 | -169.9 | -173.1 | -10.2 | 0 | 0 | 111.5 | Y433 E434 Q441 | Y433-Q437 WeakPolarHBondContact O-CB 3.49Å; Y433-Q437 PolarHBondContact O-N 3.45Å; E434-Q437 PolarHBondContact O-N 3.02Å; Q437-Q441 WeakPolarHBondContact O-CG 3.47Å; Q437-Q441 PolarHBondContact O-N 3.17Å; Q437-Q441 VanDerWaalsContact O-N 3.14Å; Q437-Q441 PolarHBondContact O-NE2 2.97Å; Q437-Q441 VanDerWaalsContact O-NE2 3.1Å |
| 438 | R | 85.2 | Confident | 80.1 | Confident | 139 Ų | 139 | 93.3 Ų | 93.3 | 53% | 0.525 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 171.2 | -65.6 | 166.5 | -174.7 | 179.8 | 0.6 | 111.3 | E434 G435 Q436 C440 Q441 L442 | E434-R438 VanDerWaalsContact O-CG 3.3Å; E434-R438 WeakPolarHBondContact O-CG 3.49Å; E434-R438 PolarHBondContact O-N 3.47Å; E434-R438 IonicContact OE1-CZ 3.03Å; E434-R438 IonicContact OE1-NE 3.37Å; E434-R438 PolarHBondContact OE1-NE 3.09Å; E434-R438 IonicContact OE1-NH2 2.7Å; E434-R438 PolarHBondContact OE1-NH2 3.35Å; E434-R438 IonicContact OE2-CZ 2.67Å; E434-R438 IonicContact OE2-NH2 3.39Å; E434-R438 PolarHBondContact OE2-NH2 3Å; G435-R438 PolarHBondContact O-N 3.49Å; Q436-R438 VanDerWaalsContact C-N 3.3Å; Q436-R438 PolarHBondContact O-N 3.08Å; R438-C440 VanDerWaalsContact C-N 3.31Å; R438-C440 PolarHBondContact O-N 2.87Å; R438-Q441 PolarHBondContact O-N 2.98Å; R438-L442 WeakPolarHBondContact O-CG 3.4Å; R438-L442 PolarHBondContact O-N 3.48Å; R438-L442 VanDerWaalsContact O-N 3.09Å |
| 439 | E | 70.1 | Confident | 80 | Confident | 68 Ų | 68 | 95.1 Ų | 95.1 | 32% | 0.318 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.9 | -41.9 | 176.4 | -164 | -161.8 | 139 | 0 | 0 | 112.1 | K215 G435 Q436 K443 | K215-E439 IonicContact NZ-OE2 2.81Å; K215-E439 PolarHBondContact NZ-OE2 2.87Å; G435-E439 PolarHBondContact O-N 3.13Å; Q436-E439 WeakPolarHBondContact O-CB 3.4Å; Q436-E439 PolarHBondContact O-N 3.3Å; E439-K443 WeakPolarHBondContact O-CG 3.41Å; E439-K443 PolarHBondContact O-N 3.04Å; E439-K443 WeakPolarHBondContact OE1-CE 3.23Å; E439-K443 IonicContact OE1-NZ 3.59Å; E439-K443 PolarHBondContact OE1-NZ 3.13Å |
| 440 | C | 67.3 | Low | 80.3 | Confident | 36 Ų | 36 | 98.1 Ų | 98.1 | 24% | 0.243 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64.9 | -49.1 | 176.5 | -171.7 | 0 | 0 | 0 | 0 | 112.5 | P218 Q436 R438 L442 K443 L444 | P218-C440 HydrophobicContact CB-CB 4.46Å; P218-C440 HydrophobicContact CG-CB 3.88Å; Q436-C440 WeakPolarHBondContact O-CB 3.48Å; Q436-C440 PolarHBondContact O-N 2.85Å; R438-C440 VanDerWaalsContact C-N 3.31Å; R438-C440 PolarHBondContact O-N 2.87Å; C440-L442 PolarHBondContact O-N 3.38Å; C440-K443 WeakPolarHBondContact O-CB 3.48Å; C440-K443 PolarHBondContact O-N 3.3Å; C440-L444 PolarHBondContact O-N 3.33Å |
| 441 | Q | 70.6 | Confident | 80.5 | Confident | 88 Ų | 88 | 94.9 Ų | 94.9 | 41% | 0.411 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.1 | -35 | 178.7 | -75.7 | 172.8 | 84.5 | 0 | 0 | 112.5 | Q437 R438 R445 | Q437-Q441 WeakPolarHBondContact O-CG 3.47Å; Q437-Q441 PolarHBondContact O-N 3.17Å; Q437-Q441 VanDerWaalsContact O-N 3.14Å; Q437-Q441 PolarHBondContact O-NE2 2.97Å; Q437-Q441 VanDerWaalsContact O-NE2 3.1Å; R438-Q441 PolarHBondContact O-N 2.98Å; Q441-R445 WeakPolarHBondContact O-CG 3.45Å; Q441-R445 PolarHBondContact O-N 2.92Å |
| 442 | L | 86.3 | Confident | 80.6 | Confident | 106 Ų | 106 | 91.9 Ų | 91.9 | 56% | 0.555 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -69.5 | -33.2 | 174.3 | -70.6 | 172.1 | 0 | 0 | 0 | 112.8 | R438 C440 K446 | R438-L442 WeakPolarHBondContact O-CG 3.4Å; R438-L442 PolarHBondContact O-N 3.48Å; R438-L442 VanDerWaalsContact O-N 3.09Å; C440-L442 PolarHBondContact O-N 3.38Å; L442-K446 WeakPolarHBondContact O-CG 3.48Å; L442-K446 PolarHBondContact O-N 3.37Å |
| 443 | K | 83.8 | Confident | 80.9 | Confident | 127 Ų | 127 | 94 Ų | 94 | 55% | 0.552 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -70.2 | -45.5 | 173.5 | -74.1 | 169.6 | 173.8 | 175 | 0 | 111.5 | E439 C440 K446 M447 | E439-K443 WeakPolarHBondContact O-CG 3.41Å; E439-K443 PolarHBondContact O-N 3.04Å; E439-K443 WeakPolarHBondContact OE1-CE 3.23Å; E439-K443 IonicContact OE1-NZ 3.59Å; E439-K443 PolarHBondContact OE1-NZ 3.13Å; C440-K443 WeakPolarHBondContact O-CB 3.48Å; C440-K443 PolarHBondContact O-N 3.3Å; K443-K446 PolarHBondContact O-N 3.06Å; K443-M447 PolarHBondContact O-N 3.02Å |
| 444 | L | 77.7 | Confident | 81.5 | Confident | 62 Ų | 62 | 94 Ų | 94 | 33% | 0.325 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.4 | -52.9 | 175 | 175.9 | 57 | 0 | 0 | 0 | 111.2 | C440 K446 M447 E448 | C440-L444 PolarHBondContact O-N 3.33Å; L444-K446 VanDerWaalsContact C-N 3.27Å; L444-K446 PolarHBondContact O-N 3.35Å; L444-M447 HydrophobicContact CD1-CE 3.94Å; L444-M447 CarbonylContact O-C 3.57Å; L444-M447 WeakPolarHBondContact O-CA 3.36Å; L444-M447 WeakPolarHBondContact O-CB 3.4Å; L444-M447 PolarHBondContact O-N 3.28Å; L444-E448 HydrophobicContact CD1-CG 4.05Å; L444-E448 HydrophobicContact CG-CG 4.39Å; L444-E448 WeakPolarHBondContact O-CG 3.49Å; L444-E448 PolarHBondContact O-N 2.98Å |
| 445 | R | 84.2 | Confident | 81.9 | Confident | 146 Ų | 146 | 94.4 Ų | 94.4 | 55% | 0.551 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -57.9 | -35 | 178.3 | -74 | 179.1 | -177.6 | 168.7 | 3.7 | 114 | Q441 E448 Q449 | Q441-R445 WeakPolarHBondContact O-CG 3.45Å; Q441-R445 PolarHBondContact O-N 2.92Å; R445-E448 WeakPolarHBondContact CA-OE2 3.48Å; R445-Q449 VanDerWaalsContact O-CG 3.26Å; R445-Q449 WeakPolarHBondContact O-CG 3.43Å; R445-Q449 PolarHBondContact O-N 3.42Å; R445-Q449 VanDerWaalsContact O-N 3.1Å |
| 446 | K | 87.8 | Confident | 82.3 | Confident | 151 Ų | 151 | 98.3 Ų | 98.3 | 66% | 0.657 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -70.4 | -38.3 | 174 | -75.3 | 178.6 | 177.8 | -174.4 | 0 | 112.1 | L442 K443 L444 Q449 L450 | L442-K446 WeakPolarHBondContact O-CG 3.48Å; L442-K446 PolarHBondContact O-N 3.37Å; K443-K446 PolarHBondContact O-N 3.06Å; L444-K446 VanDerWaalsContact C-N 3.27Å; L444-K446 PolarHBondContact O-N 3.35Å; K446-Q449 PolarHBondContact O-N 3.37Å; K446-L450 WeakPolarHBondContact O-CB 3.43Å; K446-L450 PolarHBondContact O-N 3.5Å |
| 447 | M | 79.6 | Confident | 83 | Confident | 97 Ų | 97 | 102.8 Ų | 102.8 | 48% | 0.478 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.7 | -42.5 | 174.5 | -175.8 | 170.1 | 66.6 | 0 | 0 | 111.7 | K443 L444 L450 L451 | K443-M447 PolarHBondContact O-N 3.02Å; L444-M447 HydrophobicContact CD1-CE 3.94Å; L444-M447 CarbonylContact O-C 3.57Å; L444-M447 WeakPolarHBondContact O-CA 3.36Å; L444-M447 WeakPolarHBondContact O-CB 3.4Å; L444-M447 PolarHBondContact O-N 3.28Å; M447-L450 PolarHBondContact O-N 2.9Å; M447-L451 VanDerWaalsContact O-CB 3.31Å; M447-L451 WeakPolarHBondContact O-CB 3.26Å; M447-L451 PolarHBondContact O-N 2.93Å |
| 448 | E | 83.5 | Confident | 84.1 | Confident | 110 Ų | 110 | 102.1 Ų | 102.1 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.6 | -45.6 | 174.4 | -68.9 | 173.5 | 137.7 | 0 | 0 | 111.8 | L444 R445 L451 G452 | L444-E448 HydrophobicContact CD1-CG 4.05Å; L444-E448 HydrophobicContact CG-CG 4.39Å; L444-E448 WeakPolarHBondContact O-CG 3.49Å; L444-E448 PolarHBondContact O-N 2.98Å; R445-E448 WeakPolarHBondContact CA-OE2 3.48Å; E448-L451 PolarHBondContact O-N 3.48Å; E448-G452 PolarHBondContact O-N 2.96Å |
| 449 | Q | 89.9 | Confident | 84.4 | Confident | 145 Ų | 145 | 102.1 Ų | 102.1 | 68% | 0.678 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.8 | -44.6 | 176 | -74.6 | 171.6 | 5 | 0 | 0 | 112.4 | R445 K446 G452 L453 | R445-Q449 VanDerWaalsContact O-CG 3.26Å; R445-Q449 WeakPolarHBondContact O-CG 3.43Å; R445-Q449 PolarHBondContact O-N 3.42Å; R445-Q449 VanDerWaalsContact O-N 3.1Å; K446-Q449 PolarHBondContact O-N 3.37Å; Q449-G452 PolarHBondContact O-N 2.91Å; Q449-L453 PolarHBondContact O-N 3.49Å |
| 450 | L | 90.3 | Very high | 85.3 | Confident | 120 Ų | 120 | 103.5 Ų | 103.5 | 63% | 0.628 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66 | -41.5 | 178.3 | -177.5 | 61.8 | 0 | 0 | 0 | 111.9 | K446 M447 L453 Q454 | K446-L450 WeakPolarHBondContact O-CB 3.43Å; K446-L450 PolarHBondContact O-N 3.5Å; M447-L450 PolarHBondContact O-N 2.9Å; L450-L453 PolarHBondContact O-N 2.94Å; L450-Q454 PolarHBondContact O-N 3.42Å |
| 451 | L | 85.8 | Confident | 86.4 | Confident | 76 Ų | 76 | 105.1 Ų | 105.1 | 40% | 0.398 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -39.7 | 175.4 | -177.5 | 62.7 | 0 | 0 | 0 | 111.4 | M447 E448 L453 Q454 Q455 | M447-L451 VanDerWaalsContact O-CB 3.31Å; M447-L451 WeakPolarHBondContact O-CB 3.26Å; M447-L451 PolarHBondContact O-N 2.93Å; E448-L451 PolarHBondContact O-N 3.48Å; L451-L453 PolarHBondContact O-N 2.91Å; L451-Q454 PolarHBondContact O-N 3.04Å; L451-Q455 WeakPolarHBondContact O-CB 3.33Å; L451-Q455 WeakPolarHBondContact O-CG 3.48Å; L451-Q455 PolarHBondContact O-N 3.46Å |
| 452 | G | 89.3 | Confident | 87.3 | Confident | 39 Ų | 39 | 108.5 Ų | 108.5 | 40% | 0.402 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60 | -43 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E448 Q449 Q455 F456 | E448-G452 PolarHBondContact O-N 2.96Å; Q449-G452 PolarHBondContact O-N 2.91Å; G452-Q455 PolarHBondContact O-N 3.32Å; G452-F456 PolarHBondContact O-N 3.32Å |
| 453 | L | 92.2 | Very high | 87.7 | Confident | 94 Ų | 94 | 108.5 Ų | 108.5 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -43.3 | 175 | -177.6 | 62.1 | 0 | 0 | 0 | 112.1 | Q449 L450 L451 F456 Q457 | Q449-L453 PolarHBondContact O-N 3.49Å; L450-L453 PolarHBondContact O-N 2.94Å; L451-L453 PolarHBondContact O-N 2.91Å; L453-F456 WeakPolarHBondContact O-CB 3.34Å; L453-F456 PolarHBondContact O-N 3.23Å; L453-Q457 WeakPolarHBondContact O-CG 3.4Å; L453-Q457 PolarHBondContact O-N 3.01Å |
| 454 | Q | 88.4 | Confident | 88 | Confident | 110 Ų | 110 | 109.7 Ų | 109.7 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64 | -41.9 | 176.5 | -171.7 | -177.7 | 60.8 | 0 | 0 | 111.8 | L450 L451 F456 Q457 L458 | L450-Q454 PolarHBondContact O-N 3.42Å; L451-Q454 PolarHBondContact O-N 3.04Å; Q454-F456 VanDerWaalsContact C-N 3.3Å; Q454-F456 PolarHBondContact O-N 3.31Å; Q454-Q457 PolarHBondContact O-N 3.13Å; Q454-L458 HydrophobicContact CG-CD1 4.21Å; Q454-L458 WeakPolarHBondContact O-CB 3.4Å; Q454-L458 WeakPolarHBondContact O-CG 3.49Å; Q454-L458 PolarHBondContact O-N 3.42Å |
| 455 | Q | 84.2 | Confident | 88.6 | Confident | 92 Ų | 92 | 111.5 Ų | 111.5 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.2 | -37.7 | 173.3 | -75.1 | -176.3 | 35.2 | 0 | 0 | 112.3 | L451 G452 K459 | L451-Q455 WeakPolarHBondContact O-CB 3.33Å; L451-Q455 WeakPolarHBondContact O-CG 3.48Å; L451-Q455 PolarHBondContact O-N 3.46Å; G452-Q455 PolarHBondContact O-N 3.32Å; Q455-K459 WeakPolarHBondContact O-CB 3.46Å; Q455-K459 VanDerWaalsContact O-CG 3.23Å; Q455-K459 WeakPolarHBondContact O-CG 3.31Å; Q455-K459 PolarHBondContact O-N 3.08Å |
| 456 | F | 91.6 | Very high | 88.9 | Confident | 116 Ų | 116 | 107.4 Ų | 107.4 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 175.2 | 178.8 | -95.8 | 0 | 0 | 0 | 111.9 | G452 L453 Q454 L458 K459 Q460 | G452-F456 PolarHBondContact O-N 3.32Å; L453-F456 WeakPolarHBondContact O-CB 3.34Å; L453-F456 PolarHBondContact O-N 3.23Å; Q454-F456 VanDerWaalsContact C-N 3.3Å; Q454-F456 PolarHBondContact O-N 3.31Å; F456-L458 PolarHBondContact O-N 3.08Å; F456-K459 PolarHBondContact O-N 3.44Å; F456-Q460 HydrophobicContact CE1-CG 4.09Å; F456-Q460 HydrophobicContact CZ-CG 4.11Å; F456-Q460 PolarHBondContact O-N 3.31Å |
| 457 | Q | 90.9 | Very high | 89.3 | Confident | 112 Ų | 112 | 104.5 Ų | 104.5 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 175.4 | -70.3 | 174.7 | 1 | 0 | 0 | 112 | L453 Q454 K459 Q460 H461 | L453-Q457 WeakPolarHBondContact O-CG 3.4Å; L453-Q457 PolarHBondContact O-N 3.01Å; Q454-Q457 PolarHBondContact O-N 3.13Å; Q457-K459 PolarHBondContact O-N 3.46Å; Q457-Q460 PolarHBondContact O-N 3.3Å; Q457-H461 WeakPolarHBondContact O-CB 3.34Å; Q457-H461 PolarHBondContact O-N 2.98Å |
| 458 | L | 88 | Confident | 89.9 | Confident | 110 Ų | 110 | 105.8 Ų | 105.8 | 58% | 0.576 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.2 | -39 | 176.3 | -73.7 | 168.1 | 0 | 0 | 0 | 112.3 | Q454 F456 H461 K462 | Q454-L458 HydrophobicContact CG-CD1 4.21Å; Q454-L458 WeakPolarHBondContact O-CB 3.4Å; Q454-L458 WeakPolarHBondContact O-CG 3.49Å; Q454-L458 PolarHBondContact O-N 3.42Å; F456-L458 PolarHBondContact O-N 3.08Å; L458-H461 PolarHBondContact O-N 3.49Å; L458-K462 WeakPolarHBondContact O-CB 3.43Å; L458-K462 PolarHBondContact O-N 3.23Å |
| 459 | K | 90.1 | Very high | 90.4 | Very high | 140 Ų | 140 | 104.9 Ų | 104.9 | 61% | 0.609 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.8 | -44.7 | 173.6 | -76.7 | 167.8 | -179.2 | 172.6 | 0 | 111.8 | Q455 F456 Q457 K462 L463 | Q455-K459 WeakPolarHBondContact O-CB 3.46Å; Q455-K459 VanDerWaalsContact O-CG 3.23Å; Q455-K459 WeakPolarHBondContact O-CG 3.31Å; Q455-K459 PolarHBondContact O-N 3.08Å; F456-K459 PolarHBondContact O-N 3.44Å; Q457-K459 PolarHBondContact O-N 3.46Å; K459-K462 PolarHBondContact O-N 2.96Å; K459-L463 PolarHBondContact O-N 3.37Å |
| 460 | Q | 89.6 | Confident | 90.5 | Very high | 97 Ų | 97 | 102.9 Ų | 102.9 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.2 | -36 | 174.7 | -77.8 | -163.1 | -24.5 | 0 | 0 | 113.2 | F456 Q457 L463 R464 | F456-Q460 HydrophobicContact CE1-CG 4.09Å; F456-Q460 HydrophobicContact CZ-CG 4.11Å; F456-Q460 PolarHBondContact O-N 3.31Å; Q457-Q460 PolarHBondContact O-N 3.3Å; Q460-L463 PolarHBondContact O-N 2.87Å; Q460-R464 PolarHBondContact O-N 2.87Å; Q460-R464 VanDerWaalsContact O-N 3.13Å |
| 461 | H | 90.6 | Very high | 90.8 | Very high | 69 Ų | 69 | 105 Ų | 105 | 32% | 0.319 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -46.5 | 176 | -163.2 | -88.6 | 0 | 0 | 0 | 111.1 | Q457 L458 L463 R464 Q465 | Q457-H461 WeakPolarHBondContact O-CB 3.34Å; Q457-H461 PolarHBondContact O-N 2.98Å; L458-H461 PolarHBondContact O-N 3.49Å; H461-L463 VanDerWaalsContact C-N 3.3Å; H461-L463 PolarHBondContact O-N 3.29Å; H461-R464 PolarHBondContact O-N 3.01Å; H461-Q465 PolarHBondContact CE1-OE1 3.26Å; H461-Q465 PolarHBondContact ND1-OE1 2.98Å; H461-Q465 WeakPolarHBondContact O-CG 3.36Å; H461-Q465 PolarHBondContact O-N 2.97Å |
| 462 | K | 90.3 | Very high | 91.1 | Very high | 159 Ų | 159 | 105.6 Ų | 105.6 | 69% | 0.691 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59 | -40 | 175.3 | -174.8 | 178.2 | 179.6 | -179.4 | 0 | 112.1 | L458 K459 Q465 S466 | L458-K462 WeakPolarHBondContact O-CB 3.43Å; L458-K462 PolarHBondContact O-N 3.23Å; K459-K462 PolarHBondContact O-N 2.96Å; K462-Q465 PolarHBondContact O-N 3.31Å; K462-S466 WeakPolarHBondContact O-CB 3.37Å; K462-S466 PolarHBondContact O-N 3.4Å |
| 463 | L | 94.4 | Very high | 91.3 | Very high | 106 Ų | 106 | 108.3 Ų | 108.3 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.4 | -51.5 | 176.9 | -175.6 | 63.1 | 0 | 0 | 0 | 111.2 | K459 Q460 H461 Q465 S466 E467 | K459-L463 PolarHBondContact O-N 3.37Å; Q460-L463 PolarHBondContact O-N 2.87Å; H461-L463 VanDerWaalsContact C-N 3.3Å; H461-L463 PolarHBondContact O-N 3.29Å; L463-Q465 VanDerWaalsContact C-N 3.32Å; L463-Q465 PolarHBondContact O-N 2.92Å; L463-S466 WeakPolarHBondContact O-CB 3.46Å; L463-S466 PolarHBondContact O-N 3.48Å; L463-E467 WeakPolarHBondContact O-CG 3.39Å; L463-E467 PolarHBondContact O-N 3.49Å |
| 464 | R | 90.2 | Very high | 91.5 | Very high | 153 Ų | 153 | 109.9 Ų | 109.9 | 58% | 0.577 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.4 | -39.4 | 176.8 | -73.5 | -174 | -71.4 | 148.7 | -6.4 | 113 | Q460 H461 E467 Q468 | Q460-R464 PolarHBondContact O-N 2.87Å; Q460-R464 VanDerWaalsContact O-N 3.13Å; H461-R464 PolarHBondContact O-N 3.01Å; R464-E467 PolarHBondContact O-N 3.38Å; R464-Q468 PolarHBondContact O-N 3.35Å |
| 465 | Q | 89.6 | Confident | 91.7 | Very high | 99 Ų | 99 | 110.7 Ų | 110.7 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 174 | -72.9 | 179.5 | -63.6 | 0 | 0 | 112 | H461 K462 L463 Q468 V469 | H461-Q465 PolarHBondContact CE1-OE1 3.26Å; H461-Q465 PolarHBondContact ND1-OE1 2.98Å; H461-Q465 WeakPolarHBondContact O-CG 3.36Å; H461-Q465 PolarHBondContact O-N 2.97Å; K462-Q465 PolarHBondContact O-N 3.31Å; L463-Q465 VanDerWaalsContact C-N 3.32Å; L463-Q465 PolarHBondContact O-N 2.92Å; Q465-Q468 PolarHBondContact O-N 3.42Å; Q465-V469 WeakPolarHBondContact O-CG2 3.4Å; Q465-V469 PolarHBondContact O-N 2.92Å |
| 466 | S | 91.9 | Very high | 92.2 | Very high | 60 Ų | 60 | 111.8 Ų | 111.8 | 42% | 0.42 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.8 | -39.1 | 175.5 | -163.1 | 0 | 0 | 0 | 0 | 112.1 | K462 L463 V469 N470 | K462-S466 WeakPolarHBondContact O-CB 3.37Å; K462-S466 PolarHBondContact O-N 3.4Å; L463-S466 WeakPolarHBondContact O-CB 3.46Å; L463-S466 PolarHBondContact O-N 3.48Å; S466-V469 PolarHBondContact O-N 3.32Å; S466-N470 WeakPolarHBondContact O-CB 3.23Å; S466-N470 PolarHBondContact O-N 2.93Å; S466-N470 PolarHBondContact O-ND2 3.35Å; S466-N470 PolarHBondContact O-OD1 2.98Å |
| 467 | E | 94.5 | Very high | 92.3 | Very high | 91 Ų | 91 | 109.3 Ų | 109.3 | 43% | 0.425 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 173.1 | -70.3 | 169.5 | -159.7 | 0 | 0 | 111.8 | L463 R464 N470 R471 | L463-E467 WeakPolarHBondContact O-CG 3.39Å; L463-E467 PolarHBondContact O-N 3.49Å; R464-E467 PolarHBondContact O-N 3.38Å; E467-N470 PolarHBondContact O-N 3.03Å; E467-R471 VanDerWaalsContact O-CG 3.29Å; E467-R471 WeakPolarHBondContact O-CG 3.44Å; E467-R471 PolarHBondContact O-N 3.41Å |
| 468 | Q | 93.5 | Very high | 92.5 | Very high | 124 Ų | 124 | 108.8 Ų | 108.8 | 58% | 0.579 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.8 | -42.8 | 176.4 | -171.7 | 176.8 | 9.1 | 0 | 0 | 112 | R464 Q465 R471 L472 | R464-Q468 PolarHBondContact O-N 3.35Å; Q465-Q468 PolarHBondContact O-N 3.42Å; Q468-R471 PolarHBondContact O-N 2.97Å; Q468-L472 HydrophobicContact CG-CD1 4.35Å; Q468-L472 WeakPolarHBondContact O-CG 3.4Å; Q468-L472 PolarHBondContact O-N 3.22Å |
| 469 | V | 92.5 | Very high | 92.7 | Very high | 91 Ų | 91 | 106.3 Ų | 106.3 | 55% | 0.552 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 174.7 | 169.5 | 0 | 0 | 0 | 0 | 111 | Q465 S466 R471 L472 Q473 | Q465-V469 WeakPolarHBondContact O-CG2 3.4Å; Q465-V469 PolarHBondContact O-N 2.92Å; S466-V469 PolarHBondContact O-N 3.32Å; V469-R471 VanDerWaalsContact C-N 3.33Å; V469-R471 PolarHBondContact O-N 3.17Å; V469-L472 PolarHBondContact O-N 3.06Å; V469-Q473 WeakPolarHBondContact O-CB 3.31Å; V469-Q473 PolarHBondContact O-N 3.29Å |
| 470 | N | 93.8 | Very high | 93 | Very high | 103 Ų | 103 | 107.3 Ų | 107.3 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -38.1 | 176.5 | -71.5 | -10.9 | 0 | 0 | 0 | 112.4 | S466 E467 Q474 | S466-N470 WeakPolarHBondContact O-CB 3.23Å; S466-N470 PolarHBondContact O-N 2.93Å; S466-N470 PolarHBondContact O-ND2 3.35Å; S466-N470 PolarHBondContact O-OD1 2.98Å; E467-N470 PolarHBondContact O-N 3.03Å; N470-Q474 WeakPolarHBondContact O-CB 3.24Å; N470-Q474 PolarHBondContact O-N 3.49Å |
| 471 | R | 95 | Very high | 93.2 | Very high | 165 Ų | 165 | 107.3 Ų | 107.3 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.9 | -41.7 | 174.3 | -72.4 | 169.9 | -172 | -91.5 | 3.7 | 112.3 | E467 Q468 V469 Q474 Q475 | E467-R471 VanDerWaalsContact O-CG 3.29Å; E467-R471 WeakPolarHBondContact O-CG 3.44Å; E467-R471 PolarHBondContact O-N 3.41Å; Q468-R471 PolarHBondContact O-N 2.97Å; V469-R471 VanDerWaalsContact C-N 3.33Å; V469-R471 PolarHBondContact O-N 3.17Å; R471-Q474 PolarHBondContact O-N 3.5Å; R471-Q475 WeakPolarHBondContact O-CG 3.35Å; R471-Q475 PolarHBondContact O-N 3.42Å |
| 472 | L | 93.6 | Very high | 93.4 | Very high | 88 Ų | 88 | 107.6 Ų | 107.6 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 176.7 | -71.3 | 170.3 | 0 | 0 | 0 | 111.7 | Q468 V469 Q475 L476 | Q468-L472 HydrophobicContact CG-CD1 4.35Å; Q468-L472 WeakPolarHBondContact O-CG 3.4Å; Q468-L472 PolarHBondContact O-N 3.22Å; V469-L472 PolarHBondContact O-N 3.06Å; L472-Q475 PolarHBondContact O-N 2.93Å; L472-L476 WeakPolarHBondContact O-CG 3.5Å; L472-L476 PolarHBondContact O-N 3.2Å |
| 473 | Q | 93.4 | Very high | 93.5 | Very high | 95 Ų | 95 | 103.7 Ų | 103.7 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.6 | -50.4 | 172.9 | -175.5 | 58.8 | 58.5 | 0 | 0 | 110.7 | V469 Q475 L476 D477 | V469-Q473 WeakPolarHBondContact O-CB 3.31Å; V469-Q473 PolarHBondContact O-N 3.29Å; Q473-Q475 VanDerWaalsContact C-N 3.27Å; Q473-Q475 PolarHBondContact O-N 3.33Å; Q473-L476 WeakPolarHBondContact O-CB 3.14Å; Q473-L476 PolarHBondContact O-N 3.41Å; Q473-D477 WeakPolarHBondContact CG-OD2 3.46Å; Q473-D477 VanDerWaalsContact NE2-CG 3.29Å; Q473-D477 PolarHBondContact NE2-OD1 3.3Å; Q473-D477 PolarHBondContact NE2-OD2 3.46Å; Q473-D477 VanDerWaalsContact NE2-OD2 3.08Å; Q473-D477 VanDerWaalsContact O-CG 3.23Å; Q473-D477 PolarHBondContact O-N 3.04Å; Q473-D477 VanDerWaalsContact O-OD2 3.09Å |
| 474 | Q | 94.9 | Very high | 93.4 | Very high | 127 Ų | 127 | 103.2 Ų | 103.2 | 59% | 0.593 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.7 | -35.8 | 176.4 | -172.9 | 176.2 | 36.9 | 0 | 0 | 113 | N470 R471 L478 | N470-Q474 WeakPolarHBondContact O-CB 3.24Å; N470-Q474 PolarHBondContact O-N 3.49Å; R471-Q474 PolarHBondContact O-N 3.5Å; Q474-L478 HydrophobicContact CG-CD1 4.23Å; Q474-L478 WeakPolarHBondContact O-CB 3.35Å; Q474-L478 VanDerWaalsContact O-CG 3.26Å; Q474-L478 WeakPolarHBondContact O-CG 3.46Å; Q474-L478 PolarHBondContact O-N 3.37Å |
| 475 | Q | 94 | Very high | 93.6 | Very high | 127 Ų | 127 | 97.7 Ų | 97.7 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.2 | -39.2 | 174.1 | -75.3 | 176.8 | -8.5 | 0 | 0 | 112.7 | R471 L472 Q473 A479 | R471-Q475 WeakPolarHBondContact O-CG 3.35Å; R471-Q475 PolarHBondContact O-N 3.42Å; L472-Q475 PolarHBondContact O-N 2.93Å; Q473-Q475 VanDerWaalsContact C-N 3.27Å; Q473-Q475 PolarHBondContact O-N 3.33Å; Q475-A479 VanDerWaalsContact O-CB 3.26Å; Q475-A479 WeakPolarHBondContact O-CB 3.31Å; Q475-A479 PolarHBondContact O-N 3.47Å |
| 476 | L | 93 | Very high | 93.8 | Very high | 115 Ų | 115 | 98 Ų | 98 | 60% | 0.602 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -39.5 | 174.4 | -72.5 | 170.8 | 0 | 0 | 0 | 111.9 | L472 Q473 A479 R480 | L472-L476 WeakPolarHBondContact O-CG 3.5Å; L472-L476 PolarHBondContact O-N 3.2Å; Q473-L476 WeakPolarHBondContact O-CB 3.14Å; Q473-L476 PolarHBondContact O-N 3.41Å; L476-A479 PolarHBondContact O-N 3.33Å; L476-R480 VanDerWaalsContact O-CB 3.27Å; L476-R480 WeakPolarHBondContact O-CB 3.45Å; L476-R480 PolarHBondContact O-N 2.94Å |
| 477 | D | 94.2 | Very high | 93.9 | Very high | 64 Ų | 64 | 100 Ų | 100 | 34% | 0.342 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.1 | -48.1 | 177.8 | -62.2 | -33.9 | 0 | 0 | 0 | 110.7 | Q473 A479 R480 D481 | Q473-D477 WeakPolarHBondContact CG-OD2 3.46Å; Q473-D477 VanDerWaalsContact NE2-CG 3.29Å; Q473-D477 PolarHBondContact NE2-OD1 3.3Å; Q473-D477 PolarHBondContact NE2-OD2 3.46Å; Q473-D477 VanDerWaalsContact NE2-OD2 3.08Å; Q473-D477 VanDerWaalsContact O-CG 3.23Å; Q473-D477 PolarHBondContact O-N 3.04Å; Q473-D477 VanDerWaalsContact O-OD2 3.09Å; D477-A479 VanDerWaalsContact C-N 3.32Å; D477-A479 PolarHBondContact O-N 3.43Å; D477-R480 WeakPolarHBondContact O-CA 3.3Å; D477-R480 WeakPolarHBondContact O-CB 3.42Å; D477-R480 PolarHBondContact O-N 3.22Å; D477-R480 VanDerWaalsContact O-N 3.07Å; D477-D481 PolarHBondContact O-N 2.89Å |
| 478 | L | 94.8 | Very high | 93.9 | Very high | 102 Ų | 102 | 102 Ų | 102 | 53% | 0.534 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 174.4 | -72.1 | 169.6 | 0 | 0 | 0 | 113.1 | Q474 S482 | Q474-L478 HydrophobicContact CG-CD1 4.23Å; Q474-L478 WeakPolarHBondContact O-CB 3.35Å; Q474-L478 VanDerWaalsContact O-CG 3.26Å; Q474-L478 WeakPolarHBondContact O-CG 3.46Å; Q474-L478 PolarHBondContact O-N 3.37Å; L478-S482 WeakPolarHBondContact O-CB 3.39Å; L478-S482 PolarHBondContact O-N 2.87Å; L478-S482 PolarHBondContact O-OG 2.91Å |
| 479 | A | 92.9 | Very high | 94 | Very high | 58 Ų | 58 | 101.8 Ų | 101.8 | 48% | 0.479 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69 | -34.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q475 L476 D477 S483 | Q475-A479 VanDerWaalsContact O-CB 3.26Å; Q475-A479 WeakPolarHBondContact O-CB 3.31Å; Q475-A479 PolarHBondContact O-N 3.47Å; L476-A479 PolarHBondContact O-N 3.33Å; D477-A479 VanDerWaalsContact C-N 3.32Å; D477-A479 PolarHBondContact O-N 3.43Å; A479-S483 VanDerWaalsContact O-CB 3.32Å; A479-S483 WeakPolarHBondContact O-CB 3.13Å; A479-S483 PolarHBondContact O-N 2.89Å |
| 480 | R | 95.8 | Very high | 94.1 | Very high | 161 Ų | 161 | 100.7 Ų | 100.7 | 61% | 0.608 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.3 | -47.3 | 175.3 | -176.5 | -178.5 | -169.7 | 146 | 5.3 | 111.4 | L476 D477 S482 S483 Q484 | L476-R480 VanDerWaalsContact O-CB 3.27Å; L476-R480 WeakPolarHBondContact O-CB 3.45Å; L476-R480 PolarHBondContact O-N 2.94Å; D477-R480 WeakPolarHBondContact O-CA 3.3Å; D477-R480 WeakPolarHBondContact O-CB 3.42Å; D477-R480 PolarHBondContact O-N 3.22Å; D477-R480 VanDerWaalsContact O-N 3.07Å; R480-S482 VanDerWaalsContact C-N 3.33Å; R480-S482 PolarHBondContact O-N 3.44Å; R480-S483 WeakPolarHBondContact O-CB 3.21Å; R480-S483 PolarHBondContact O-N 3.3Å; R480-Q484 WeakPolarHBondContact O-CG 3.28Å; R480-Q484 PolarHBondContact O-N 3.25Å |
| 481 | D | 94.5 | Very high | 94.2 | Very high | 97 Ų | 97 | 98.6 Ų | 98.6 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 176.6 | -65.4 | -13.8 | 0 | 0 | 0 | 110.7 | D477 S483 Q484 G485 | D477-D481 PolarHBondContact O-N 2.89Å; D481-S483 PolarHBondContact O-N 3.23Å; D481-Q484 PolarHBondContact O-N 2.88Å; D481-G485 PolarHBondContact O-N 2.93Å |
| 482 | S | 94.1 | Very high | 94.3 | Very high | 74 Ų | 74 | 93.3 Ų | 93.3 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 174.8 | -57.4 | 0 | 0 | 0 | 0 | 112.3 | L478 R480 G485 L486 | L478-S482 WeakPolarHBondContact O-CB 3.39Å; L478-S482 PolarHBondContact O-N 2.87Å; L478-S482 PolarHBondContact O-OG 2.91Å; R480-S482 VanDerWaalsContact C-N 3.33Å; R480-S482 PolarHBondContact O-N 3.44Å; S482-G485 PolarHBondContact O-N 3.2Å; S482-L486 WeakPolarHBondContact O-CG 3.3Å; S482-L486 PolarHBondContact O-N 3.08Å |
| 483 | S | 92.2 | Very high | 94.4 | Very high | 78 Ų | 78 | 93.9 Ų | 93.9 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 176 | -173 | 0 | 0 | 0 | 0 | 112 | A479 R480 D481 L486 Q487 | A479-S483 VanDerWaalsContact O-CB 3.32Å; A479-S483 WeakPolarHBondContact O-CB 3.13Å; A479-S483 PolarHBondContact O-N 2.89Å; R480-S483 WeakPolarHBondContact O-CB 3.21Å; R480-S483 PolarHBondContact O-N 3.3Å; D481-S483 PolarHBondContact O-N 3.23Å; S483-L486 PolarHBondContact O-N 2.91Å; S483-Q487 WeakPolarHBondContact O-CB 3.18Å; S483-Q487 PolarHBondContact O-N 3.49Å |
| 484 | Q | 94.2 | Very high | 94.5 | Very high | 95 Ų | 95 | 97.1 Ų | 97.1 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.3 | -40.4 | 174.9 | -73.5 | -175.2 | -10.8 | 0 | 0 | 112.6 | R480 D481 Q487 Q488 | R480-Q484 WeakPolarHBondContact O-CG 3.28Å; R480-Q484 PolarHBondContact O-N 3.25Å; D481-Q484 PolarHBondContact O-N 2.88Å; Q484-Q487 PolarHBondContact O-N 3.38Å; Q484-Q488 WeakPolarHBondContact O-CG 3.49Å; Q484-Q488 PolarHBondContact O-N 2.97Å |
| 485 | G | 93.7 | Very high | 94.5 | Very high | 37 Ų | 37 | 97.1 Ų | 97.1 | 38% | 0.381 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D481 S482 Q488 Q489 | D481-G485 PolarHBondContact O-N 2.93Å; S482-G485 PolarHBondContact O-N 3.2Å; G485-Q488 PolarHBondContact O-N 3.32Å; G485-Q489 WeakPolarHBondContact O-CB 3.4Å; G485-Q489 PolarHBondContact O-N 2.9Å |
| 486 | L | 93.5 | Very high | 94.6 | Very high | 106 Ų | 106 | 97 Ų | 97 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 173.8 | -74.1 | 169 | 0 | 0 | 0 | 112.2 | S482 S483 Q489 V490 | S482-L486 WeakPolarHBondContact O-CG 3.3Å; S482-L486 PolarHBondContact O-N 3.08Å; S483-L486 PolarHBondContact O-N 2.91Å; L486-Q489 PolarHBondContact O-N 3.5Å; L486-V490 WeakPolarHBondContact O-CG2 3.41Å; L486-V490 PolarHBondContact O-N 3.34Å |
| 487 | Q | 94.2 | Very high | 94.8 | Very high | 101 Ų | 101 | 96.4 Ų | 96.4 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 175 | -177.4 | 60.2 | 54 | 0 | 0 | 111.2 | S483 Q484 Q489 V490 D491 | S483-Q487 WeakPolarHBondContact O-CB 3.18Å; S483-Q487 PolarHBondContact O-N 3.49Å; Q484-Q487 PolarHBondContact O-N 3.38Å; Q487-Q489 VanDerWaalsContact C-N 3.29Å; Q487-Q489 PolarHBondContact O-N 3.04Å; Q487-V490 PolarHBondContact O-N 3.03Å; Q487-D491 PolarHBondContact NE2-OD1 3.17Å; Q487-D491 PolarHBondContact NE2-OD2 3.25Å; Q487-D491 VanDerWaalsContact O-CG 3.27Å; Q487-D491 PolarHBondContact O-N 3.1Å |
| 488 | Q | 95 | Very high | 94.8 | Very high | 135 Ų | 135 | 98.3 Ų | 98.3 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.9 | -37.8 | 175.2 | -72.1 | 172.9 | 15.2 | 0 | 0 | 112.4 | Q484 G485 D491 A492 | Q484-Q488 WeakPolarHBondContact O-CG 3.49Å; Q484-Q488 PolarHBondContact O-N 2.97Å; G485-Q488 PolarHBondContact O-N 3.32Å; Q488-D491 PolarHBondContact O-N 2.85Å; Q488-A492 WeakPolarHBondContact O-CB 3.44Å; Q488-A492 PolarHBondContact O-N 2.97Å |
| 489 | Q | 94.4 | Very high | 94.9 | Very high | 119 Ų | 119 | 97.3 Ų | 97.3 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.5 | -41.7 | 175.3 | -171.3 | 176.8 | 32.7 | 0 | 0 | 112.1 | G485 L486 Q487 A492 L493 | G485-Q489 WeakPolarHBondContact O-CB 3.4Å; G485-Q489 PolarHBondContact O-N 2.9Å; L486-Q489 PolarHBondContact O-N 3.5Å; Q487-Q489 VanDerWaalsContact C-N 3.29Å; Q487-Q489 PolarHBondContact O-N 3.04Å; Q489-A492 PolarHBondContact O-N 3.43Å; Q489-L493 HydrophobicContact CG-CD1 4.26Å; Q489-L493 WeakPolarHBondContact O-CB 3.33Å; Q489-L493 VanDerWaalsContact O-CG 3.29Å; Q489-L493 WeakPolarHBondContact O-CG 3.48Å; Q489-L493 PolarHBondContact O-N 2.88Å |
| 490 | V | 95.9 | Very high | 94.9 | Very high | 67 Ų | 67 | 97.2 Ų | 97.2 | 41% | 0.406 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 173.7 | 165.7 | 0 | 0 | 0 | 0 | 110.8 | L486 Q487 L493 R494 | L486-V490 WeakPolarHBondContact O-CG2 3.41Å; L486-V490 PolarHBondContact O-N 3.34Å; Q487-V490 PolarHBondContact O-N 3.03Å; V490-L493 PolarHBondContact O-N 3.45Å; V490-R494 VanDerWaalsContact O-CG 3.3Å; V490-R494 WeakPolarHBondContact O-CG 3.16Å; V490-R494 PolarHBondContact O-N 3.48Å |
| 491 | D | 95.5 | Very high | 95 | Very high | 59 Ų | 59 | 94.9 Ų | 94.9 | 32% | 0.316 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.3 | -38 | 179.9 | -65 | -31.3 | 0 | 0 | 0 | 111.9 | Q487 Q488 R494 H495 | Q487-D491 PolarHBondContact NE2-OD1 3.17Å; Q487-D491 PolarHBondContact NE2-OD2 3.25Å; Q487-D491 VanDerWaalsContact O-CG 3.27Å; Q487-D491 PolarHBondContact O-N 3.1Å; Q488-D491 PolarHBondContact O-N 2.85Å; D491-R494 WeakPolarHBondContact O-CB 3.43Å; D491-R494 PolarHBondContact O-N 2.85Å; D491-H495 PolarHBondContact O-N 3.2Å; D491-H495 VanDerWaalsContact O-N 3.09Å; D491-H495 PolarHBondContact O-ND1 3.3Å |
| 492 | A | 95.7 | Very high | 95 | Very high | 55 Ų | 55 | 98.5 Ų | 98.5 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q488 Q489 R494 H495 Q496 | Q488-A492 WeakPolarHBondContact O-CB 3.44Å; Q488-A492 PolarHBondContact O-N 2.97Å; Q489-A492 PolarHBondContact O-N 3.43Å; A492-R494 VanDerWaalsContact C-N 3.32Å; A492-R494 PolarHBondContact O-N 2.81Å; A492-H495 PolarHBondContact O-N 3.43Å; A492-Q496 WeakPolarHBondContact O-CG 3.39Å; A492-Q496 PolarHBondContact O-N 2.85Å |
| 493 | L | 95.7 | Very high | 95.1 | Very high | 100 Ų | 100 | 101.3 Ų | 101.3 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -33.2 | 175.5 | -73.3 | 170 | 0 | 0 | 0 | 112.4 | Q489 V490 Q496 L497 | Q489-L493 HydrophobicContact CG-CD1 4.26Å; Q489-L493 WeakPolarHBondContact O-CB 3.33Å; Q489-L493 VanDerWaalsContact O-CG 3.29Å; Q489-L493 WeakPolarHBondContact O-CG 3.48Å; Q489-L493 PolarHBondContact O-N 2.88Å; V490-L493 PolarHBondContact O-N 3.45Å; L493-Q496 PolarHBondContact O-N 3.34Å; L493-L497 WeakPolarHBondContact O-CB 3.49Å; L493-L497 PolarHBondContact O-N 3.49Å |
| 494 | R | 96.7 | Very high | 95.3 | Very high | 162 Ų | 162 | 101.8 Ų | 101.8 | 61% | 0.611 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63 | -48 | 172.5 | -76.1 | 172 | 176.3 | -73.4 | -1.6 | 111.9 | V490 D491 A492 Q496 L497 E498 | V490-R494 VanDerWaalsContact O-CG 3.3Å; V490-R494 WeakPolarHBondContact O-CG 3.16Å; V490-R494 PolarHBondContact O-N 3.48Å; D491-R494 WeakPolarHBondContact O-CB 3.43Å; D491-R494 PolarHBondContact O-N 2.85Å; A492-R494 VanDerWaalsContact C-N 3.32Å; A492-R494 PolarHBondContact O-N 2.81Å; R494-Q496 VanDerWaalsContact C-N 3.34Å; R494-Q496 PolarHBondContact O-N 2.91Å; R494-L497 PolarHBondContact O-N 2.9Å; R494-E498 PolarHBondContact O-N 3.5Å |
| 495 | H | 95.5 | Very high | 95.4 | Very high | 128 Ų | 128 | 101.1 Ų | 101.1 | 59% | 0.593 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 175.8 | -70.6 | 83.2 | 0 | 0 | 0 | 111.3 | D491 A492 L497 E498 D499 | D491-H495 PolarHBondContact O-N 3.2Å; D491-H495 VanDerWaalsContact O-N 3.09Å; D491-H495 PolarHBondContact O-ND1 3.3Å; A492-H495 PolarHBondContact O-N 3.43Å; H495-L497 VanDerWaalsContact C-N 3.33Å; H495-L497 PolarHBondContact O-N 3.23Å; H495-E498 PolarHBondContact O-N 2.87Å; H495-D499 WeakPolarHBondContact O-CB 3.5Å; H495-D499 PolarHBondContact O-N 2.86Å |
| 496 | Q | 95.5 | Very high | 95.4 | Very high | 124 Ų | 124 | 105 Ų | 105 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.4 | -32.2 | 176.3 | -74.8 | -171.5 | -31 | 0 | 0 | 113.8 | A492 L493 R494 S500 | A492-Q496 WeakPolarHBondContact O-CG 3.39Å; A492-Q496 PolarHBondContact O-N 2.85Å; L493-Q496 PolarHBondContact O-N 3.34Å; R494-Q496 VanDerWaalsContact C-N 3.34Å; R494-Q496 PolarHBondContact O-N 2.91Å; Q496-S500 WeakPolarHBondContact O-CB 3.42Å; Q496-S500 PolarHBondContact O-N 2.9Å; Q496-S500 PolarHBondContact O-OG 3.43Å |
| 497 | L | 95.8 | Very high | 95.5 | Very high | 102 Ų | 102 | 106.9 Ų | 106.9 | 53% | 0.534 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.3 | -49.9 | 172.8 | -179.6 | 63.4 | 0 | 0 | 0 | 110.4 | L493 R494 H495 D499 S500 E501 | L493-L497 WeakPolarHBondContact O-CB 3.49Å; L493-L497 PolarHBondContact O-N 3.49Å; R494-L497 PolarHBondContact O-N 2.9Å; H495-L497 VanDerWaalsContact C-N 3.33Å; H495-L497 PolarHBondContact O-N 3.23Å; L497-D499 PolarHBondContact O-N 3.43Å; L497-S500 CarbonylContact O-C 3.58Å; L497-S500 WeakPolarHBondContact O-CA 3.48Å; L497-S500 WeakPolarHBondContact O-CB 3.31Å; L497-S500 PolarHBondContact O-N 2.96Å; L497-E501 HydrophobicContact CD1-CG 4.42Å; L497-E501 HydrophobicContact CG-CG 4.49Å; L497-E501 WeakPolarHBondContact O-CG 3.28Å; L497-E501 PolarHBondContact O-N 3.33Å |
| 498 | E | 96.1 | Very high | 95.6 | Very high | 105 Ų | 105 | 106.5 Ų | 106.5 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 177.3 | -177 | 171.2 | -176.7 | 0 | 0 | 111.6 | R494 H495 S500 E501 W502 | R494-E498 PolarHBondContact O-N 3.5Å; H495-E498 PolarHBondContact O-N 2.87Å; E498-S500 PolarHBondContact O-N 3.3Å; E498-E501 PolarHBondContact O-N 3.3Å; E498-W502 PolarHBondContact O-N 2.67Å |
| 499 | D | 95 | Very high | 95.7 | Very high | 80 Ų | 80 | 102.1 Ų | 102.1 | 43% | 0.428 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -52 | -37.4 | 171.5 | -120.3 | 32.5 | 0 | 0 | 0 | 112.9 | H495 L497 R503 | H495-D499 WeakPolarHBondContact O-CB 3.5Å; H495-D499 PolarHBondContact O-N 2.86Å; L497-D499 PolarHBondContact O-N 3.43Å; D499-R503 VanDerWaalsContact O-CG 3.3Å; D499-R503 WeakPolarHBondContact O-CG 3.45Å; D499-R503 PolarHBondContact O-N 3.38Å; D499-R503 IonicContact OD2-CZ 2.74Å; D499-R503 IonicContact OD2-NH1 3.33Å; D499-R503 PolarHBondContact OD2-NH1 3.03Å; D499-R503 IonicContact OD2-NH2 2.75Å; D499-R503 PolarHBondContact OD2-NH2 3.09Å |
| 500 | S | 93.9 | Very high | 95.8 | Very high | 57 Ų | 57 | 100.7 Ų | 100.7 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -81.6 | -37 | -178.1 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | Q496 L497 E498 R503 V504 | Q496-S500 WeakPolarHBondContact O-CB 3.42Å; Q496-S500 PolarHBondContact O-N 2.9Å; Q496-S500 PolarHBondContact O-OG 3.43Å; L497-S500 CarbonylContact O-C 3.58Å; L497-S500 WeakPolarHBondContact O-CA 3.48Å; L497-S500 WeakPolarHBondContact O-CB 3.31Å; L497-S500 PolarHBondContact O-N 2.96Å; E498-S500 PolarHBondContact O-N 3.3Å; S500-R503 PolarHBondContact O-N 3.38Å; S500-V504 WeakPolarHBondContact O-CG2 3.33Å; S500-V504 PolarHBondContact O-N 3.17Å |
| 501 | E | 97.2 | Very high | 95.8 | Very high | 111 Ų | 111 | 101 Ų | 101 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -43 | 172.3 | -71.2 | 176 | 166.4 | 0 | 0 | 110.9 | L497 E498 V504 C505 | L497-E501 HydrophobicContact CD1-CG 4.42Å; L497-E501 HydrophobicContact CG-CG 4.49Å; L497-E501 WeakPolarHBondContact O-CG 3.28Å; L497-E501 PolarHBondContact O-N 3.33Å; E498-E501 PolarHBondContact O-N 3.3Å; E501-V504 PolarHBondContact O-N 3.29Å; E501-C505 PolarHBondContact O-N 2.9Å; E501-C505 PolarHBondContact O-SG 3.03Å; E501-C505 VanDerWaalsContact O-SG 3.39Å |
| 502 | W | 95.8 | Very high | 95.9 | Very high | 174 Ų | 174 | 100.7 Ų | 100.7 | 66% | 0.659 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.8 | -45.7 | 172.7 | -79.2 | 113.4 | 0 | 0 | 0 | 112.8 | E498 V504 C505 E506 | E498-W502 PolarHBondContact O-N 2.67Å; W502-V504 VanDerWaalsContact C-N 3.34Å; W502-V504 PolarHBondContact O-N 3.14Å; W502-C505 WeakPolarHBondContact O-CB 3.25Å; W502-C505 PolarHBondContact O-N 3.1Å; W502-E506 PolarHBondContact O-N 2.82Å |
| 503 | R | 95.9 | Very high | 95.9 | Very high | 133 Ų | 133 | 103 Ų | 103 | 50% | 0.502 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63 | -37.6 | 174.9 | -71.8 | 171.3 | -168.2 | 122.1 | 13.1 | 112.4 | D499 S500 E506 R507 | D499-R503 VanDerWaalsContact O-CG 3.3Å; D499-R503 WeakPolarHBondContact O-CG 3.45Å; D499-R503 PolarHBondContact O-N 3.38Å; D499-R503 IonicContact OD2-CZ 2.74Å; D499-R503 IonicContact OD2-NH1 3.33Å; D499-R503 PolarHBondContact OD2-NH1 3.03Å; D499-R503 IonicContact OD2-NH2 2.75Å; D499-R503 PolarHBondContact OD2-NH2 3.09Å; S500-R503 PolarHBondContact O-N 3.38Å; R503-E506 PolarHBondContact O-N 3.09Å; R503-R507 VanDerWaalsContact O-CG 3.31Å; R503-R507 WeakPolarHBondContact O-CG 3.29Å; R503-R507 PolarHBondContact O-N 3.33Å |
| 504 | V | 96.1 | Very high | 96 | Very high | 87 Ų | 87 | 103.2 Ų | 103.2 | 53% | 0.527 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 174.9 | 167.5 | 0 | 0 | 0 | 0 | 110.9 | S500 E501 W502 N508 | S500-V504 WeakPolarHBondContact O-CG2 3.33Å; S500-V504 PolarHBondContact O-N 3.17Å; E501-V504 PolarHBondContact O-N 3.29Å; W502-V504 VanDerWaalsContact C-N 3.34Å; W502-V504 PolarHBondContact O-N 3.14Å; V504-N508 WeakPolarHBondContact CG1-ND2 3.38Å; V504-N508 VanDerWaalsContact O-CB 3.26Å; V504-N508 WeakPolarHBondContact O-CB 3.31Å; V504-N508 PolarHBondContact O-N 3.36Å; V504-N508 PolarHBondContact O-ND2 3.03Å; V504-N508 VanDerWaalsContact O-ND2 3.1Å |
| 505 | C | 95.5 | Very high | 96 | Very high | 81 Ų | 81 | 101.7 Ų | 101.7 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 173.4 | -73.7 | 0 | 0 | 0 | 0 | 112.5 | E501 W502 N508 G509 | E501-C505 PolarHBondContact O-N 2.9Å; E501-C505 PolarHBondContact O-SG 3.03Å; E501-C505 VanDerWaalsContact O-SG 3.39Å; W502-C505 WeakPolarHBondContact O-CB 3.25Å; W502-C505 PolarHBondContact O-N 3.1Å; C505-N508 PolarHBondContact O-N 3.44Å; C505-G509 PolarHBondContact O-N 2.91Å |
| 506 | E | 95 | Very high | 96 | Very high | 119 Ų | 119 | 98.6 Ų | 98.6 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.2 | -54.5 | 174.1 | 178.3 | -176.7 | -122.4 | 0 | 0 | 111.4 | W502 R503 N508 G509 E510 | W502-E506 PolarHBondContact O-N 2.82Å; R503-E506 PolarHBondContact O-N 3.09Å; E506-N508 VanDerWaalsContact C-N 3.33Å; E506-N508 PolarHBondContact O-N 3.5Å; E506-G509 WeakPolarHBondContact O-CA 3.49Å; E506-G509 PolarHBondContact O-N 2.8Å; E506-E510 PolarHBondContact O-N 3.44Å |
| 507 | R | 96 | Very high | 96 | Very high | 145 Ų | 145 | 97.1 Ų | 97.1 | 55% | 0.547 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -33 | 179.4 | -63.9 | -51.5 | -174 | 90.2 | 0.6 | 113.2 | R503 G509 E510 I511 | R503-R507 VanDerWaalsContact O-CG 3.31Å; R503-R507 WeakPolarHBondContact O-CG 3.29Å; R503-R507 PolarHBondContact O-N 3.33Å; R507-G509 VanDerWaalsContact C-N 3.3Å; R507-E510 WeakPolarHBondContact CD-OE2 3.46Å; R507-E510 IonicContact NE-OE2 3.61Å; R507-E510 PolarHBondContact O-N 3.26Å; R507-I511 VanDerWaalsContact O-CB 3.31Å; R507-I511 WeakPolarHBondContact O-CB 3.22Å; R507-I511 WeakPolarHBondContact O-CD1 3.43Å; R507-I511 WeakPolarHBondContact O-CG1 3.39Å; R507-I511 PolarHBondContact O-N 2.92Å |
| 508 | N | 96 | Very high | 96 | Very high | 94 Ų | 94 | 98.3 Ų | 98.3 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.6 | -34.6 | 171.6 | -78 | -32 | 0 | 0 | 0 | 111.8 | V504 C505 E506 A512 | V504-N508 WeakPolarHBondContact CG1-ND2 3.38Å; V504-N508 VanDerWaalsContact O-CB 3.26Å; V504-N508 WeakPolarHBondContact O-CB 3.31Å; V504-N508 PolarHBondContact O-N 3.36Å; V504-N508 PolarHBondContact O-ND2 3.03Å; V504-N508 VanDerWaalsContact O-ND2 3.1Å; C505-N508 PolarHBondContact O-N 3.44Å; E506-N508 VanDerWaalsContact C-N 3.33Å; E506-N508 PolarHBondContact O-N 3.5Å; N508-A512 WeakPolarHBondContact O-CB 3.29Å; N508-A512 PolarHBondContact O-N 3.44Å |
| 509 | G | 96.5 | Very high | 96.1 | Very high | 42 Ų | 42 | 99.9 Ų | 99.9 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -49.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C505 E506 R507 I511 A512 L513 | C505-G509 PolarHBondContact O-N 2.91Å; E506-G509 WeakPolarHBondContact O-CA 3.49Å; E506-G509 PolarHBondContact O-N 2.8Å; R507-G509 VanDerWaalsContact C-N 3.3Å; G509-I511 PolarHBondContact O-N 3.24Å; G509-A512 PolarHBondContact O-N 3.09Å; G509-L513 PolarHBondContact O-N 3.16Å |
| 510 | E | 96.9 | Very high | 96 | Very high | 90 Ų | 90 | 101.4 Ų | 101.4 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.1 | -48.6 | 173.6 | -67.1 | -178.7 | 166.4 | 0 | 0 | 111.7 | E506 R507 A512 L513 L514 | E506-E510 PolarHBondContact O-N 3.44Å; R507-E510 WeakPolarHBondContact CD-OE2 3.46Å; R507-E510 IonicContact NE-OE2 3.61Å; R507-E510 PolarHBondContact O-N 3.26Å; E510-A512 VanDerWaalsContact C-N 3.29Å; E510-A512 PolarHBondContact O-N 3.02Å; E510-L513 PolarHBondContact O-N 2.93Å; E510-L514 WeakPolarHBondContact O-CB 3.43Å; E510-L514 WeakPolarHBondContact O-CG 3.39Å; E510-L514 PolarHBondContact O-N 2.97Å |
| 511 | I | 95.9 | Very high | 96 | Very high | 73 Ų | 73 | 100.7 Ų | 100.7 | 37% | 0.374 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.6 | -35.3 | 179.4 | -71.1 | 165.7 | 0 | 0 | 0 | 111.1 | R507 G509 K515 | R507-I511 VanDerWaalsContact O-CB 3.31Å; R507-I511 WeakPolarHBondContact O-CB 3.22Å; R507-I511 WeakPolarHBondContact O-CD1 3.43Å; R507-I511 WeakPolarHBondContact O-CG1 3.39Å; R507-I511 PolarHBondContact O-N 2.92Å; G509-I511 PolarHBondContact O-N 3.24Å; I511-K515 HydrophobicContact CG2-CD 3.95Å; I511-K515 VanDerWaalsContact CG2-CE 3.48Å; I511-K515 VanDerWaalsContact O-CB 3.28Å; I511-K515 WeakPolarHBondContact O-CB 3.26Å; I511-K515 WeakPolarHBondContact O-CD 3.22Å; I511-K515 WeakPolarHBondContact O-CG 3.43Å; I511-K515 PolarHBondContact O-N 3.1Å |
| 512 | A | 96.7 | Very high | 95.9 | Very high | 53 Ų | 53 | 100.5 Ų | 100.5 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67 | -43.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N508 G509 E510 K515 T516 | N508-A512 WeakPolarHBondContact O-CB 3.29Å; N508-A512 PolarHBondContact O-N 3.44Å; G509-A512 PolarHBondContact O-N 3.09Å; E510-A512 VanDerWaalsContact C-N 3.29Å; E510-A512 PolarHBondContact O-N 3.02Å; A512-K515 PolarHBondContact O-N 3.38Å; A512-T516 PolarHBondContact O-N 3.3Å; A512-T516 VanDerWaalsContact O-N 3.09Å; A512-T516 PolarHBondContact O-OG1 3.15Å |
| 513 | L | 96.3 | Very high | 95.9 | Very high | 104 Ų | 104 | 97.3 Ų | 97.3 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 176.1 | -179.6 | 61.7 | 0 | 0 | 0 | 111.7 | G509 E510 K515 T516 Q517 | G509-L513 PolarHBondContact O-N 3.16Å; E510-L513 PolarHBondContact O-N 2.93Å; L513-K515 VanDerWaalsContact C-N 3.32Å; L513-K515 PolarHBondContact O-N 3.19Å; L513-T516 WeakPolarHBondContact O-CB 3.41Å; L513-T516 PolarHBondContact O-N 3.4Å; L513-Q517 PolarHBondContact O-N 3.34Å |
| 514 | L | 97.3 | Very high | 95.8 | Very high | 104 Ų | 104 | 95.7 Ų | 95.7 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 176.8 | -69.4 | 170.6 | 0 | 0 | 0 | 112.2 | E510 T516 Q517 L518 | E510-L514 WeakPolarHBondContact O-CB 3.43Å; E510-L514 WeakPolarHBondContact O-CG 3.39Å; E510-L514 PolarHBondContact O-N 2.97Å; L514-T516 VanDerWaalsContact C-N 3.28Å; L514-T516 PolarHBondContact O-N 2.85Å; L514-Q517 PolarHBondContact O-N 3.14Å; L514-L518 WeakPolarHBondContact O-CB 3.44Å; L514-L518 PolarHBondContact O-N 3.49Å |
| 515 | K | 97.1 | Very high | 95.7 | Very high | 130 Ų | 130 | 95.5 Ų | 95.5 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.7 | -27.8 | 172.7 | -79.6 | 169.1 | -179 | 170.9 | 0 | 113.1 | I511 A512 L513 K519 | I511-K515 HydrophobicContact CG2-CD 3.95Å; I511-K515 VanDerWaalsContact CG2-CE 3.48Å; I511-K515 VanDerWaalsContact O-CB 3.28Å; I511-K515 WeakPolarHBondContact O-CB 3.26Å; I511-K515 WeakPolarHBondContact O-CD 3.22Å; I511-K515 WeakPolarHBondContact O-CG 3.43Å; I511-K515 PolarHBondContact O-N 3.1Å; A512-K515 PolarHBondContact O-N 3.38Å; L513-K515 VanDerWaalsContact C-N 3.32Å; L513-K515 PolarHBondContact O-N 3.19Å; K515-K519 WeakPolarHBondContact O-CD 3.35Å; K515-K519 VanDerWaalsContact O-CG 3.28Å; K515-K519 WeakPolarHBondContact O-CG 3.44Å; K515-K519 PolarHBondContact O-N 3.33Å |
| 516 | T | 95.8 | Very high | 95.6 | Very high | 62 Ų | 62 | 94.4 Ų | 94.4 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -76.3 | -50.2 | 173.3 | -63.1 | 0 | 0 | 0 | 0 | 110.5 | A512 L513 L514 L518 K519 E520 | A512-T516 PolarHBondContact O-N 3.3Å; A512-T516 VanDerWaalsContact O-N 3.09Å; A512-T516 PolarHBondContact O-OG1 3.15Å; L513-T516 WeakPolarHBondContact O-CB 3.41Å; L513-T516 PolarHBondContact O-N 3.4Å; L514-T516 VanDerWaalsContact C-N 3.28Å; L514-T516 PolarHBondContact O-N 2.85Å; T516-L518 VanDerWaalsContact C-N 3.27Å; T516-L518 PolarHBondContact O-N 2.69Å; T516-K519 WeakPolarHBondContact O-CB 3.41Å; T516-K519 PolarHBondContact O-N 3.27Å; T516-E520 WeakPolarHBondContact CG2-OE1 3.43Å; T516-E520 WeakPolarHBondContact O-CG 3.25Å; T516-E520 PolarHBondContact O-N 3.39Å |
| 517 | Q | 96 | Very high | 95.5 | Very high | 93 Ų | 93 | 95.3 Ų | 95.3 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.5 | -39 | 176.3 | -68.5 | 175.8 | 1.5 | 0 | 0 | 112.5 | L513 L514 K519 E520 A521 | L513-Q517 PolarHBondContact O-N 3.34Å; L514-Q517 PolarHBondContact O-N 3.14Å; Q517-K519 PolarHBondContact O-N 3.09Å; Q517-E520 PolarHBondContact O-N 2.62Å; Q517-A521 WeakPolarHBondContact O-CB 3.43Å; Q517-A521 PolarHBondContact O-N 3.17Å |
| 518 | L | 95.9 | Very high | 95.4 | Very high | 127 Ų | 127 | 93.1 Ų | 93.1 | 67% | 0.665 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.4 | -35 | 176.2 | -174.8 | 63.7 | 0 | 0 | 0 | 112.7 | L514 T516 H522 | L514-L518 WeakPolarHBondContact O-CB 3.44Å; L514-L518 PolarHBondContact O-N 3.49Å; T516-L518 VanDerWaalsContact C-N 3.27Å; T516-L518 PolarHBondContact O-N 2.69Å; L518-H522 VanDerWaalsContact O-CB 3.3Å; L518-H522 WeakPolarHBondContact O-CB 3.33Å; L518-H522 PolarHBondContact O-N 2.98Å |
| 519 | K | 96.6 | Very high | 95.3 | Very high | 138 Ų | 138 | 92.5 Ų | 92.5 | 60% | 0.6 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.4 | -42.1 | 173.6 | -71.6 | 167.5 | -177 | 178.5 | 0 | 111.3 | K515 T516 Q517 H522 L523 | K515-K519 WeakPolarHBondContact O-CD 3.35Å; K515-K519 VanDerWaalsContact O-CG 3.28Å; K515-K519 WeakPolarHBondContact O-CG 3.44Å; K515-K519 PolarHBondContact O-N 3.33Å; T516-K519 WeakPolarHBondContact O-CB 3.41Å; T516-K519 PolarHBondContact O-N 3.27Å; Q517-K519 PolarHBondContact O-N 3.09Å; K519-H522 PolarHBondContact O-N 3.24Å; K519-L523 WeakPolarHBondContact O-CG 3.37Å; K519-L523 PolarHBondContact O-N 3.33Å |
| 520 | E | 94.1 | Very high | 95.1 | Very high | 113 Ų | 113 | 97 Ų | 97 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 176.7 | -69.7 | 167.5 | 172.7 | 0 | 0 | 110.9 | T516 Q517 H522 L523 E524 | T516-E520 WeakPolarHBondContact CG2-OE1 3.43Å; T516-E520 WeakPolarHBondContact O-CG 3.25Å; T516-E520 PolarHBondContact O-N 3.39Å; Q517-E520 PolarHBondContact O-N 2.62Å; E520-H522 VanDerWaalsContact C-N 3.33Å; E520-H522 PolarHBondContact O-N 3.22Å; E520-L523 PolarHBondContact O-N 2.75Å; E520-E524 WeakPolarHBondContact O-CB 3.05Å; E520-E524 PolarHBondContact O-N 3.47Å |
| 521 | A | 93.9 | Very high | 94.9 | Very high | 41 Ų | 41 | 95 Ų | 95 | 34% | 0.339 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q517 E524 I525 | Q517-A521 WeakPolarHBondContact O-CB 3.43Å; Q517-A521 PolarHBondContact O-N 3.17Å; A521-E524 PolarHBondContact O-N 2.96Å; A521-I525 WeakPolarHBondContact O-CB 3.49Å; A521-I525 VanDerWaalsContact O-CG1 3.24Å; A521-I525 WeakPolarHBondContact O-CG1 3.44Å; A521-I525 PolarHBondContact O-N 3.41Å |
| 522 | H | 95.4 | Very high | 94.6 | Very high | 107 Ų | 107 | 96.4 Ų | 96.4 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.8 | -38 | 175.9 | -174.8 | 53.1 | 0 | 0 | 0 | 112.6 | L518 K519 E520 I525 N526 | L518-H522 VanDerWaalsContact O-CB 3.3Å; L518-H522 WeakPolarHBondContact O-CB 3.33Å; L518-H522 PolarHBondContact O-N 2.98Å; K519-H522 PolarHBondContact O-N 3.24Å; E520-H522 VanDerWaalsContact C-N 3.33Å; E520-H522 PolarHBondContact O-N 3.22Å; H522-I525 PolarHBondContact O-N 3Å; H522-N526 PolarHBondContact CD2-ND2 3.43Å; H522-N526 PolarHBondContact CE1-ND2 2.84Å; H522-N526 PolarHBondContact NE2-ND2 2.9Å; H522-N526 VanDerWaalsContact NE2-ND2 3.11Å; H522-N526 WeakPolarHBondContact O-CB 3.3Å; H522-N526 PolarHBondContact O-N 3.45Å; H522-N526 PolarHBondContact O-ND2 3.41Å |
| 523 | L | 95.3 | Very high | 94.2 | Very high | 107 Ų | 107 | 97.5 Ų | 97.5 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.5 | -43.2 | 171 | -73.2 | 167.5 | 0 | 0 | 0 | 111.3 | K519 E520 N526 M527 | K519-L523 WeakPolarHBondContact O-CG 3.37Å; K519-L523 PolarHBondContact O-N 3.33Å; E520-L523 PolarHBondContact O-N 2.75Å; L523-N526 PolarHBondContact O-N 3.4Å; L523-M527 WeakPolarHBondContact O-CG 3.44Å; L523-M527 PolarHBondContact O-N 2.86Å |
| 524 | E | 94.6 | Very high | 93.7 | Very high | 99 Ų | 99 | 96 Ų | 96 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 177.3 | -156.8 | -149.6 | -179.3 | 0 | 0 | 112 | E520 A521 M527 K528 | E520-E524 WeakPolarHBondContact O-CB 3.05Å; E520-E524 PolarHBondContact O-N 3.47Å; A521-E524 PolarHBondContact O-N 2.96Å; E524-M527 PolarHBondContact O-N 3.5Å; E524-K528 VanDerWaalsContact CD-CE 3.4Å; E524-K528 WeakPolarHBondContact O-CB 3.47Å; E524-K528 VanDerWaalsContact O-CG 3.26Å; E524-K528 WeakPolarHBondContact O-CG 3.41Å; E524-K528 PolarHBondContact O-N 3.27Å; E524-K528 WeakPolarHBondContact OE1-CE 3.41Å; E524-K528 IonicContact OE1-NZ 2.7Å; E524-K528 PolarHBondContact OE1-NZ 2.82Å; E524-K528 IonicContact OE2-NZ 2.71Å; E524-K528 PolarHBondContact OE2-NZ 2.92Å |
| 525 | I | 93.1 | Very high | 93.1 | Very high | 84 Ų | 84 | 96.4 Ų | 96.4 | 43% | 0.431 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.2 | -49.6 | 171.8 | -72.2 | 163.7 | 0 | 0 | 0 | 110.4 | A521 H522 M527 K528 D529 | A521-I525 WeakPolarHBondContact O-CB 3.49Å; A521-I525 VanDerWaalsContact O-CG1 3.24Å; A521-I525 WeakPolarHBondContact O-CG1 3.44Å; A521-I525 PolarHBondContact O-N 3.41Å; H522-I525 PolarHBondContact O-N 3Å; I525-M527 VanDerWaalsContact C-N 3.28Å; I525-M527 PolarHBondContact O-N 2.85Å; I525-K528 CarbonylContact O-C 3.56Å; I525-K528 WeakPolarHBondContact O-CA 3.28Å; I525-K528 WeakPolarHBondContact O-CB 3.42Å; I525-K528 PolarHBondContact O-N 3.48Å; I525-D529 PolarHBondContact O-N 3.28Å |
| 526 | N | 93.8 | Very high | 92.5 | Very high | 58 Ų | 58 | 97.3 Ų | 97.3 | 31% | 0.31 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -38.3 | 178.1 | -69.1 | -34.6 | 0 | 0 | 0 | 111.8 | H522 L523 D529 H530 | H522-N526 PolarHBondContact CD2-ND2 3.43Å; H522-N526 PolarHBondContact CE1-ND2 2.84Å; H522-N526 PolarHBondContact NE2-ND2 2.9Å; H522-N526 VanDerWaalsContact NE2-ND2 3.11Å; H522-N526 WeakPolarHBondContact O-CB 3.3Å; H522-N526 PolarHBondContact O-N 3.45Å; H522-N526 PolarHBondContact O-ND2 3.41Å; L523-N526 PolarHBondContact O-N 3.4Å; N526-D529 PolarHBondContact O-N 3.27Å; N526-H530 PolarHBondContact O-CD2 3.39Å; N526-H530 PolarHBondContact O-N 2.87Å |
| 527 | M | 93.1 | Very high | 91.6 | Very high | 138 Ų | 138 | 100.3 Ų | 100.3 | 68% | 0.68 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.1 | -41.8 | 172 | -72.9 | 176.3 | 66.2 | 0 | 0 | 112.3 | L523 E524 I525 H530 A531 | L523-M527 WeakPolarHBondContact O-CG 3.44Å; L523-M527 PolarHBondContact O-N 2.86Å; E524-M527 PolarHBondContact O-N 3.5Å; I525-M527 VanDerWaalsContact C-N 3.28Å; I525-M527 PolarHBondContact O-N 2.85Å; M527-H530 PolarHBondContact O-N 2.79Å; M527-A531 WeakPolarHBondContact O-CB 3.29Å; M527-A531 PolarHBondContact O-N 3.4Å |
| 528 | K | 93.1 | Very high | 90.7 | Very high | 98 Ų | 98 | 99.2 Ų | 99.2 | 43% | 0.426 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 175 | -74.4 | 164.7 | -178.1 | 170 | 0 | 111.7 | E524 I525 A531 I532 | E524-K528 VanDerWaalsContact CD-CE 3.4Å; E524-K528 WeakPolarHBondContact O-CB 3.47Å; E524-K528 VanDerWaalsContact O-CG 3.26Å; E524-K528 WeakPolarHBondContact O-CG 3.41Å; E524-K528 PolarHBondContact O-N 3.27Å; E524-K528 WeakPolarHBondContact OE1-CE 3.41Å; E524-K528 IonicContact OE1-NZ 2.7Å; E524-K528 PolarHBondContact OE1-NZ 2.82Å; E524-K528 IonicContact OE2-NZ 2.71Å; E524-K528 PolarHBondContact OE2-NZ 2.92Å; I525-K528 CarbonylContact O-C 3.56Å; I525-K528 WeakPolarHBondContact O-CA 3.28Å; I525-K528 WeakPolarHBondContact O-CB 3.42Å; I525-K528 PolarHBondContact O-N 3.48Å; K528-A531 CarbonylContact O-C 3.52Å; K528-A531 WeakPolarHBondContact O-CB 3.39Å; K528-A531 PolarHBondContact O-N 3.48Å; K528-I532 WeakPolarHBondContact O-CB 3.35Å; K528-I532 WeakPolarHBondContact O-CD1 3.4Å; K528-I532 VanDerWaalsContact O-CG1 3.22Å; K528-I532 WeakPolarHBondContact O-CG1 3.32Å; K528-I532 PolarHBondContact O-N 2.94Å |
| 529 | D | 93.6 | Very high | 89.2 | Confident | 82 Ų | 82 | 96.8 Ų | 96.8 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 175.7 | -76.6 | -32.2 | 0 | 0 | 0 | 111.5 | I525 N526 A531 I532 V533 | I525-D529 PolarHBondContact O-N 3.28Å; N526-D529 PolarHBondContact O-N 3.27Å; D529-A531 VanDerWaalsContact C-N 3.29Å; D529-A531 PolarHBondContact O-N 3.49Å; D529-I532 PolarHBondContact O-N 2.67Å; D529-V533 WeakPolarHBondContact O-CB 3.46Å; D529-V533 VanDerWaalsContact O-CG2 3.25Å; D529-V533 WeakPolarHBondContact O-CG2 3.49Å; D529-V533 PolarHBondContact O-N 3.08Å |
| 530 | H | 91.9 | Very high | 87.5 | Confident | 137 Ų | 137 | 96.2 Ų | 96.2 | 63% | 0.634 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.3 | -38.7 | 170.9 | -75.4 | -57 | 0 | 0 | 0 | 112.4 | N526 M527 S534 | N526-H530 PolarHBondContact O-CD2 3.39Å; N526-H530 PolarHBondContact O-N 2.87Å; M527-H530 PolarHBondContact O-N 2.79Å; H530-S534 WeakPolarHBondContact O-CB 3.28Å; H530-S534 PolarHBondContact O-N 3.29Å; H530-S534 PolarHBondContact O-OG 3.25Å |
| 531 | A | 92.7 | Very high | 85.6 | Confident | 48 Ų | 48 | 101.3 Ų | 101.3 | 40% | 0.397 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.6 | -42 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | M527 K528 D529 S534 L535 | M527-A531 WeakPolarHBondContact O-CB 3.29Å; M527-A531 PolarHBondContact O-N 3.4Å; K528-A531 CarbonylContact O-C 3.52Å; K528-A531 WeakPolarHBondContact O-CB 3.39Å; K528-A531 PolarHBondContact O-N 3.48Å; D529-A531 VanDerWaalsContact C-N 3.29Å; D529-A531 PolarHBondContact O-N 3.49Å; A531-S534 PolarHBondContact O-N 3.04Å; A531-L535 WeakPolarHBondContact O-CB 3.31Å; A531-L535 WeakPolarHBondContact O-CG 3.15Å; A531-L535 PolarHBondContact O-N 3.2Å |
| 532 | I | 89.9 | Confident | 83.8 | Confident | 102 Ų | 102 | 103.4 Ų | 103.4 | 52% | 0.523 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 175.8 | -71.6 | 162.4 | 0 | 0 | 0 | 110.2 | K528 D529 S534 L535 K536 | K528-I532 WeakPolarHBondContact O-CB 3.35Å; K528-I532 WeakPolarHBondContact O-CD1 3.4Å; K528-I532 VanDerWaalsContact O-CG1 3.22Å; K528-I532 WeakPolarHBondContact O-CG1 3.32Å; K528-I532 PolarHBondContact O-N 2.94Å; D529-I532 PolarHBondContact O-N 2.67Å; I532-S534 VanDerWaalsContact C-N 3.34Å; I532-S534 PolarHBondContact O-N 3.07Å; I532-L535 PolarHBondContact O-N 2.67Å; I532-K536 VanDerWaalsContact O-CB 3.24Å; I532-K536 WeakPolarHBondContact O-CB 3.29Å; I532-K536 PolarHBondContact O-N 2.99Å |
| 533 | V | 88.6 | Confident | 81.6 | Confident | 75 Ų | 75 | 102.6 Ų | 102.6 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 174.1 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | D529 K536 H537 | D529-V533 WeakPolarHBondContact O-CB 3.46Å; D529-V533 VanDerWaalsContact O-CG2 3.25Å; D529-V533 WeakPolarHBondContact O-CG2 3.49Å; D529-V533 PolarHBondContact O-N 3.08Å; V533-K536 PolarHBondContact O-N 3.46Å; V533-H537 PolarHBondContact O-N 2.73Å; V533-H537 PolarHBondContact O-ND1 2.92Å |
| 534 | S | 86.5 | Confident | 79.2 | Confident | 73 Ų | 73 | 103 Ų | 103 | 51% | 0.51 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.2 | -46 | 177 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | H530 A531 I532 K536 H537 S538 | H530-S534 WeakPolarHBondContact O-CB 3.28Å; H530-S534 PolarHBondContact O-N 3.29Å; H530-S534 PolarHBondContact O-OG 3.25Å; A531-S534 PolarHBondContact O-N 3.04Å; I532-S534 VanDerWaalsContact C-N 3.34Å; I532-S534 PolarHBondContact O-N 3.07Å; S534-K536 VanDerWaalsContact C-N 3.35Å; S534-K536 PolarHBondContact O-N 3.28Å; S534-H537 PolarHBondContact O-N 2.71Å; S534-S538 PolarHBondContact O-N 3.04Å; S534-S538 VanDerWaalsContact O-N 3.1Å; S534-S538 PolarHBondContact O-OG 3.14Å |
| 535 | L | 84 | Confident | 76.7 | Confident | 112 Ų | 112 | 103.5 Ų | 103.5 | 59% | 0.586 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.6 | -40.3 | 175.6 | -74.9 | 169.5 | 0 | 0 | 0 | 111.5 | A531 I532 H537 S538 S539 | A531-L535 WeakPolarHBondContact O-CB 3.31Å; A531-L535 WeakPolarHBondContact O-CG 3.15Å; A531-L535 PolarHBondContact O-N 3.2Å; I532-L535 PolarHBondContact O-N 2.67Å; L535-H537 PolarHBondContact O-N 3.05Å; L535-S538 CarbonylContact O-C 3.6Å; L535-S538 WeakPolarHBondContact O-CB 3.44Å; L535-S538 PolarHBondContact O-N 3.39Å; L535-S538 VanDerWaalsContact O-N 3.11Å; L535-S539 PolarHBondContact O-N 3.46Å; L535-S539 PolarHBondContact O-OG 2.96Å |
| 536 | K | 83.6 | Confident | 74.1 | Confident | 150 Ų | 150 | 104.6 Ų | 104.6 | 65% | 0.652 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.4 | -40.4 | 176.4 | -169.9 | 173.6 | -176.9 | 177.7 | 0 | 112 | I532 V533 S534 S538 S539 N540 | I532-K536 VanDerWaalsContact O-CB 3.24Å; I532-K536 WeakPolarHBondContact O-CB 3.29Å; I532-K536 PolarHBondContact O-N 2.99Å; V533-K536 PolarHBondContact O-N 3.46Å; S534-K536 VanDerWaalsContact C-N 3.35Å; S534-K536 PolarHBondContact O-N 3.28Å; K536-S538 VanDerWaalsContact C-N 3.29Å; K536-S538 PolarHBondContact O-N 2.72Å; K536-S539 PolarHBondContact O-N 3.26Å; K536-N540 VanDerWaalsContact O-CB 3.27Å; K536-N540 WeakPolarHBondContact O-CB 3.44Å; K536-N540 PolarHBondContact O-N 3.44Å |
| 537 | H | 77 | Confident | 71.5 | Confident | 125 Ų | 125 | 108.9 Ų | 108.9 | 58% | 0.579 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.7 | -32.7 | 172.5 | -76.3 | 96.3 | 0 | 0 | 0 | 112.8 | V533 S534 L535 | V533-H537 PolarHBondContact O-N 2.73Å; V533-H537 PolarHBondContact O-ND1 2.92Å; S534-H537 PolarHBondContact O-N 2.71Å; L535-H537 PolarHBondContact O-N 3.05Å |
| 538 | S | 77 | Confident | 68.9 | Low | 69 Ų | 69 | 106.3 Ų | 106.3 | 48% | 0.483 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -74.3 | -49.5 | 173.1 | -66.4 | 0 | 0 | 0 | 0 | 112.5 | S534 L535 K536 N540 R541 S542 | S534-S538 PolarHBondContact O-N 3.04Å; S534-S538 VanDerWaalsContact O-N 3.1Å; S534-S538 PolarHBondContact O-OG 3.14Å; L535-S538 CarbonylContact O-C 3.6Å; L535-S538 WeakPolarHBondContact O-CB 3.44Å; L535-S538 PolarHBondContact O-N 3.39Å; L535-S538 VanDerWaalsContact O-N 3.11Å; K536-S538 VanDerWaalsContact C-N 3.29Å; K536-S538 PolarHBondContact O-N 2.72Å; S538-N540 VanDerWaalsContact C-N 3.27Å; S538-N540 PolarHBondContact O-N 3.02Å; S538-R541 WeakPolarHBondContact O-CB 3.46Å; S538-R541 PolarHBondContact O-N 3.49Å; S538-S542 PolarHBondContact O-OG 3.15Å |
| 539 | S | 65.3 | Low | 66.3 | Low | 76 Ų | 76 | 108.7 Ų | 108.7 | 53% | 0.531 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -60 | -35.4 | 179.2 | -63.7 | 0 | 0 | 0 | 0 | 112.5 | L535 K536 R541 S542 S543 | L535-S539 PolarHBondContact O-N 3.46Å; L535-S539 PolarHBondContact O-OG 2.96Å; K536-S539 PolarHBondContact O-N 3.26Å; S539-R541 PolarHBondContact O-N 3.04Å; S539-R541 VanDerWaalsContact O-N 3.17Å; S539-S542 CarbonylContact O-C 3.57Å; S539-S542 PolarHBondContact O-N 3.34Å; S539-S543 PolarHBondContact O-N 3.05Å; S539-S543 VanDerWaalsContact O-N 3.14Å |
| 540 | N | 60.2 | Low | 64 | Low | 126 Ų | 126 | 109.9 Ų | 109.9 | 67% | 0.674 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 1.5 | 175.7 | -153 | 91.9 | 0 | 0 | 0 | 113.6 | K536 S538 | K536-N540 VanDerWaalsContact O-CB 3.27Å; K536-N540 WeakPolarHBondContact O-CB 3.44Å; K536-N540 PolarHBondContact O-N 3.44Å; S538-N540 VanDerWaalsContact C-N 3.27Å; S538-N540 PolarHBondContact O-N 3.02Å |
| 541 | R | 55.9 | Low | 61.9 | Low | 220 Ų | 220 | 109.4 Ų | 109.4 | 83% | 0.83 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -6.8 | 165.2 | -60.7 | 177.6 | -176.1 | -155.2 | 0.2 | 113 | S538 S539 | S538-R541 WeakPolarHBondContact O-CB 3.46Å; S538-R541 PolarHBondContact O-N 3.49Å; S539-R541 PolarHBondContact O-N 3.04Å; S539-R541 VanDerWaalsContact O-N 3.17Å |
| 542 | S | 54.6 | Low | 59.8 | Low | 85 Ų | 85 | 116.1 Ų | 116.1 | 59% | 0.594 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.2 | 2.6 | -170.7 | -55.6 | 0 | 0 | 0 | 0 | 113.8 | S538 S539 S544 | S538-S542 PolarHBondContact O-OG 3.15Å; S539-S542 CarbonylContact O-C 3.57Å; S539-S542 PolarHBondContact O-N 3.34Å; S542-S544 PolarHBondContact O-N 3.31Å |
| 543 | S | 50.7 | Low | 57.3 | Low | 90 Ų | 90 | 116.2 Ų | 116.2 | 63% | 0.629 | 67% | 0.666 | S | S | * | * | trans | -77.8 | 48.7 | -174.5 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | S539 | S539-S543 PolarHBondContact O-N 3.05Å; S539-S543 VanDerWaalsContact O-N 3.14Å | ||
| 544 | S | 43.8 | Very low | 55.3 | Low | 116 Ų | 116 | 118.6 Ų | 118.6 | 81% | 0.811 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -131.7 | 28.5 | -176 | -61.2 | 0 | 0 | 0 | 0 | 113.6 | S542 | S542-S544 PolarHBondContact O-N 3.31Š|
| 545 | S | 41.9 | Very low | 53 | Low | 109 Ų | 109 | 122.1 Ų | 122.1 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | trans | -157.7 | 145.2 | 170.5 | 43.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 546 | S | 39.3 | Very low | 50.5 | Low | 108 Ų | 108 | 122.6 Ų | 122.6 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | trans | -65.1 | 168.6 | 168.7 | -42 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 547 | N | 38 | Very low | 48.3 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | cis | -170.5 | 162.1 | 40.6 | -152.9 | 20.1 | 0 | 0 | 0 | 114.2 | ||||
| 548 | S | 40.1 | Very low | 46.2 | Very low | 84 Ų | 84 | 122.4 Ų | 122.4 | 59% | 0.587 | 72% | 0.721 | S | S | * | * | trans | 18.3 | 136.8 | 154.3 | -59.6 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 549 | N | 38.8 | Very low | 44.2 | Very low | 149 Ų | 149 | 125.1 Ų | 125.1 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | trans | 91.6 | 130.8 | 134.3 | -71.1 | -3.4 | 0 | 0 | 0 | 123.8 | ||||
| 550 | S | 44 | Very low | 42.6 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | 71.2 | 143.1 | 158.6 | 78.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 551 | N | 47.8 | Very low | 41.5 | Very low | 127 Ų | 127 | 130 Ų | 130 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | cis | -154.6 | 159.9 | 32.8 | -103.3 | -68.9 | 0 | 0 | 0 | 114 | ||||
| 552 | K | 49.9 | Very low | 40.5 | Very low | 189 Ų | 189 | 128.7 Ų | 128.7 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | 45.9 | 111.2 | 146.7 | -63.7 | 174.3 | -179.1 | -179.9 | 0 | 120.4 | ||||
| 553 | S | 36.6 | Very low | 39.9 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -86 | 153.2 | 143.2 | -170.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 554 | C | 46.4 | Very low | 39.2 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -144.4 | 123 | 164 | 47.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 555 | D | 37.9 | Very low | 39 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -97.3 | 150 | -169.9 | -78.2 | -77.8 | 0 | 0 | 0 | 114.1 | ||||
| 556 | T | 32 | Very low | 39 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -54.8 | 138.5 | 176.6 | -43.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 557 | N | 37.9 | Very low | 38.9 | Very low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -162.9 | 119.3 | 141.7 | -106.9 | -45.8 | 0 | 0 | 0 | 115.3 | ||||
| 558 | T | 31.6 | Very low | 39.3 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 18.3 | 117.7 | 139.7 | -45.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 559 | S | 35 | Very low | 39.6 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | -110.8 | 118 | 166.4 | -64 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 560 | Q | 32.9 | Very low | 39.8 | Very low | 192 Ų | 192 | 146.4 Ų | 146.4 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | -154.6 | 109.2 | 168 | -170.4 | -179.5 | 77.4 | 0 | 0 | 111 | ||||
| 561 | S | 37.5 | Very low | 40 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -155.6 | 113.9 | 178 | 47.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 562 | Q | 35 | Very low | 39.9 | Very low | 193 Ų | 193 | 153 Ų | 153 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | 44.5 | 130 | 142.3 | -62.8 | -177.9 | -22.1 | 0 | 0 | 122.3 | ||||
| 563 | P | 40.4 | Very low | 39.8 | Very low | 119 Ų | 119 | 151 Ų | 151 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -108.5 | 151.4 | 160.9 | 37.8 | -29.8 | 0 | 0 | 0 | 114.8 | ||||
| 564 | K | 36 | Very low | 40.4 | Very low | 212 Ų | 212 | 152 Ų | 152 | 92% | 0.922 | 79% | 0.793 | S | S | * | * | trans | 67.9 | 126 | 153.4 | -69.4 | -178.7 | 175.1 | -175.3 | 0 | 120.8 | ||||
| 565 | Q | 41 | Very low | 40.4 | Very low | 173 Ų | 173 | 153.8 Ų | 153.8 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | trans | -99.6 | 151.7 | 160.4 | -79 | 176.5 | -40.9 | 0 | 0 | 111.7 | ||||
| 566 | Q | 41.6 | Very low | 41 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | 51.5 | 101.4 | 143 | -64.7 | 169.3 | -72.1 | 0 | 0 | 119.5 | ||||
| 567 | A | 36.6 | Very low | 42.2 | Very low | 78 Ų | 78 | 151.2 Ų | 151.2 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | trans | -79.7 | 141.1 | 152.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 568 | K | 46.1 | Very low | 43.1 | Very low | 209 Ų | 209 | 150.5 Ų | 150.5 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | -156.6 | 16.5 | 165 | -137.4 | 179.7 | -179.3 | -177.1 | 0 | 116.6 | ||||
| 569 | E | 47 | Very low | 44.6 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -119.6 | -0.6 | -173.6 | -63.3 | -173.7 | 136.4 | 0 | 0 | 114.6 | Q571 | E569-Q571 VanDerWaalsContact C-N 3.26Å; E569-Q571 PolarHBondContact O-N 3.48Å; E569-Q571 VanDerWaalsContact O-N 3.16Å | ||
| 570 | E | 43.6 | Very low | 46.4 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 62% | 0.617 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -69.3 | -16.4 | -169.7 | -68 | 178.6 | 95.5 | 0 | 0 | 114.9 | Q572 Q573 Q574 | E570-Q572 VanDerWaalsContact C-N 3.33Å; E570-Q572 PolarHBondContact O-N 2.94Å; E570-Q573 PolarHBondContact O-N 2.83Å; E570-Q574 WeakPolarHBondContact O-CG 3.16Å |
| 571 | Q | 46.2 | Very low | 48.6 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -81.3 | 0.1 | -169.1 | -125.3 | 175.6 | 7.8 | 0 | 0 | 116.1 | E569 | E569-Q571 VanDerWaalsContact C-N 3.26Å; E569-Q571 PolarHBondContact O-N 3.48Å; E569-Q571 VanDerWaalsContact O-N 3.16Å |
| 572 | Q | 46.9 | Very low | 50.4 | Low | 194 Ų | 194 | 144.6 Ų | 144.6 | 91% | 0.907 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -120.3 | -3 | 168.7 | -72.1 | -171.5 | -1.1 | 0 | 0 | 114.2 | E570 | E570-Q572 VanDerWaalsContact C-N 3.33Å; E570-Q572 PolarHBondContact O-N 2.94Å |
| 573 | Q | 48.5 | Very low | 52.5 | Low | 146 Ų | 146 | 141.6 Ų | 141.6 | 68% | 0.682 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -6.5 | 172.2 | -68.3 | -170.3 | 18.9 | 0 | 0 | 113.5 | E570 Q575 H576 P577 | E570-Q573 PolarHBondContact O-N 2.83Å; Q573-Q575 PolarHBondContact O-N 2.84Å; Q573-H576 PolarHBondContact O-N 3.48Å; Q573-P577 WeakPolarHBondContact O-CD 3.44Å |
| 574 | Q | 48.3 | Very low | 54.4 | Low | 125 Ų | 125 | 142.3 Ų | 142.3 | 58% | 0.584 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -25.8 | -171.3 | -82.9 | 171.3 | 2.1 | 0 | 0 | 116.4 | E570 | E570-Q574 WeakPolarHBondContact O-CG 3.16Š|
| 575 | Q | 47.2 | Very low | 56.5 | Low | 163 Ų | 163 | 137.8 Ų | 137.8 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.4 | -27.5 | 178.7 | -73.1 | -171.5 | -11.3 | 0 | 0 | 114 | Q573 E578 L579 | Q573-Q575 PolarHBondContact O-N 2.84Å; Q575-E578 PolarHBondContact O-N 3.25Å; Q575-L579 PolarHBondContact O-N 2.86Å |
| 576 | H | 49.9 | Very low | 58.2 | Low | 142 Ų | 142 | 133.2 Ų | 133.2 | 66% | 0.657 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -75.9 | -37.7 | -172.8 | -147.8 | -50.6 | 0 | 0 | 0 | 114.3 | Q573 E578 Q580 | Q573-H576 PolarHBondContact O-N 3.48Å; H576-E578 VanDerWaalsContact C-N 3.33Å; H576-Q580 PolarHBondContact O-N 3.32Å |
| 577 | P | 57 | Low | 60 | Low | 73 Ų | 73 | 130.9 Ų | 130.9 | 47% | 0.474 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.1 | -35.3 | 169.9 | -25.6 | 34.7 | 0 | 0 | 0 | 113.2 | Q573 Q580 Q581 | Q573-P577 WeakPolarHBondContact O-CD 3.44Å; P577-Q580 PolarHBondContact O-N 3.44Å; P577-Q581 VanDerWaalsContact O-CB 3.26Å; P577-Q581 WeakPolarHBondContact O-CB 3.45Å; P577-Q581 PolarHBondContact O-N 3.47Å |
| 578 | E | 56.2 | Low | 62.2 | Low | 134 Ų | 134 | 133.3 Ų | 133.3 | 63% | 0.626 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.6 | -43.3 | -176 | -154.7 | 177.7 | 143.3 | 0 | 0 | 111.4 | Q575 H576 Q580 Q581 Q582 | Q575-E578 PolarHBondContact O-N 3.25Å; H576-E578 VanDerWaalsContact C-N 3.33Å; E578-Q580 VanDerWaalsContact C-N 3.34Å; E578-Q580 PolarHBondContact O-N 2.89Å; E578-Q581 PolarHBondContact O-N 3.22Å; E578-Q582 WeakPolarHBondContact O-CB 3.41Å; E578-Q582 PolarHBondContact O-N 2.79Å |
| 579 | L | 63.7 | Low | 63.8 | Low | 109 Ų | 109 | 128.8 Ų | 128.8 | 57% | 0.571 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.5 | -38.7 | 173.2 | -166.5 | 72 | 0 | 0 | 0 | 112.2 | Q575 Q582 Q583 | Q575-L579 PolarHBondContact O-N 2.86Å; L579-Q582 PolarHBondContact O-N 2.96Å; L579-Q583 PolarHBondContact O-N 2.91Å |
| 580 | Q | 73.5 | Confident | 65.3 | Low | 133 Ų | 133 | 125.3 Ų | 125.3 | 62% | 0.621 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.3 | -36.8 | 177.9 | -166.5 | 170.5 | 21 | 0 | 0 | 112.2 | H576 P577 E578 Q583 Q584 | H576-Q580 PolarHBondContact O-N 3.32Å; P577-Q580 PolarHBondContact O-N 3.44Å; E578-Q580 VanDerWaalsContact C-N 3.34Å; E578-Q580 PolarHBondContact O-N 2.89Å; Q580-Q583 PolarHBondContact O-N 2.89Å; Q580-Q584 WeakPolarHBondContact O-CB 3.35Å; Q580-Q584 PolarHBondContact O-N 3.26Å |
| 581 | Q | 78 | Confident | 67.1 | Low | 123 Ų | 123 | 125.3 Ų | 125.3 | 58% | 0.575 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.6 | -42.2 | 173.1 | -166.9 | -173.8 | 121.8 | 0 | 0 | 111 | P577 E578 Q583 Q584 Q585 | P577-Q581 VanDerWaalsContact O-CB 3.26Å; P577-Q581 WeakPolarHBondContact O-CB 3.45Å; P577-Q581 PolarHBondContact O-N 3.47Å; E578-Q581 PolarHBondContact O-N 3.22Å; Q581-Q583 VanDerWaalsContact C-N 3.35Å; Q581-Q583 PolarHBondContact O-N 3.5Å; Q581-Q584 PolarHBondContact O-N 2.85Å; Q581-Q585 VanDerWaalsContact O-CB 3.31Å; Q581-Q585 WeakPolarHBondContact O-CB 3.35Å; Q581-Q585 PolarHBondContact O-N 3.28Å |
| 582 | Q | 75.8 | Confident | 68.8 | Low | 63 Ų | 63 | 122.8 Ų | 122.8 | 29% | 0.294 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61 | -42.7 | 174.9 | -167.6 | -177.6 | 104.3 | 0 | 0 | 111.3 | E578 L579 Q585 Q586 | E578-Q582 WeakPolarHBondContact O-CB 3.41Å; E578-Q582 PolarHBondContact O-N 2.79Å; L579-Q582 PolarHBondContact O-N 2.96Å; Q582-Q585 PolarHBondContact O-N 2.84Å; Q582-Q586 WeakPolarHBondContact O-CB 3.39Å; Q582-Q586 PolarHBondContact O-N 3.07Å |
| 583 | Q | 78.1 | Confident | 70.1 | Confident | 129 Ų | 129 | 116 Ų | 116 | 60% | 0.603 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.8 | -43.9 | 174.6 | -169.5 | -175.7 | 105.5 | 0 | 0 | 112.2 | L579 Q580 Q581 Q586 Q587 | L579-Q583 PolarHBondContact O-N 2.91Å; Q580-Q583 PolarHBondContact O-N 2.89Å; Q581-Q583 VanDerWaalsContact C-N 3.35Å; Q581-Q583 PolarHBondContact O-N 3.5Å; Q583-Q586 PolarHBondContact O-N 3.4Å; Q583-Q587 WeakPolarHBondContact O-CB 3.28Å; Q583-Q587 PolarHBondContact O-N 3.26Å |
| 584 | Q | 81.3 | Confident | 71.6 | Confident | 134 Ų | 134 | 115.4 Ų | 115.4 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.1 | -40.7 | 177.5 | -174.1 | 175.8 | 82.5 | 0 | 0 | 111.9 | Q580 Q581 Q587 Q588 | Q580-Q584 WeakPolarHBondContact O-CB 3.35Å; Q580-Q584 PolarHBondContact O-N 3.26Å; Q581-Q584 PolarHBondContact O-N 2.85Å; Q584-Q587 PolarHBondContact O-N 2.86Å; Q584-Q588 WeakPolarHBondContact O-CB 3.04Å; Q584-Q588 PolarHBondContact O-N 3.3Å |
| 585 | Q | 79.8 | Confident | 73.2 | Confident | 117 Ų | 117 | 115.5 Ų | 115.5 | 55% | 0.547 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 176.8 | -165.9 | -178.7 | 102.2 | 0 | 0 | 111.6 | Q581 Q582 Q588 Q589 | Q581-Q585 VanDerWaalsContact O-CB 3.31Å; Q581-Q585 WeakPolarHBondContact O-CB 3.35Å; Q581-Q585 PolarHBondContact O-N 3.28Å; Q582-Q585 PolarHBondContact O-N 2.84Å; Q585-Q588 PolarHBondContact O-N 3.17Å; Q585-Q589 WeakPolarHBondContact O-CB 3.41Å; Q585-Q589 PolarHBondContact O-N 2.96Å |
| 586 | Q | 77.2 | Confident | 74.7 | Confident | 77 Ų | 77 | 112.5 Ų | 112.5 | 36% | 0.36 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 174 | -166.3 | -175.9 | 104.1 | 0 | 0 | 111.6 | H271 Q582 Q583 Q589 Q590 | H271-Q586 PolarHBondContact CD2-NE2 3.26Å; Q582-Q586 WeakPolarHBondContact O-CB 3.39Å; Q582-Q586 PolarHBondContact O-N 3.07Å; Q583-Q586 PolarHBondContact O-N 3.4Å; Q586-Q589 PolarHBondContact O-N 3.08Å; Q586-Q590 WeakPolarHBondContact O-CB 3.45Å; Q586-Q590 PolarHBondContact O-N 3.47Å |
| 587 | Q | 80.2 | Confident | 76 | Confident | 123 Ų | 123 | 110.1 Ų | 110.1 | 58% | 0.575 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.7 | -40.8 | 176.5 | -162.9 | -179.1 | 108.1 | 0 | 0 | 112.1 | Q583 Q584 Q590 Q591 | Q583-Q587 WeakPolarHBondContact O-CB 3.28Å; Q583-Q587 PolarHBondContact O-N 3.26Å; Q584-Q587 PolarHBondContact O-N 2.86Å; Q587-Q590 PolarHBondContact O-N 3.29Å; Q587-Q591 PolarHBondContact O-N 3.01Å |
| 588 | Q | 82.1 | Confident | 77.2 | Confident | 128 Ų | 128 | 112.7 Ų | 112.7 | 60% | 0.598 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.5 | -40.5 | 176.4 | -165.6 | 179.4 | 100.9 | 0 | 0 | 111.8 | Q584 Q585 Q591 Q592 | Q584-Q588 WeakPolarHBondContact O-CB 3.04Å; Q584-Q588 PolarHBondContact O-N 3.3Å; Q585-Q588 PolarHBondContact O-N 3.17Å; Q588-Q591 PolarHBondContact O-N 2.94Å; Q588-Q592 PolarHBondContact O-N 3.33Å |
| 589 | Q | 78.5 | Confident | 78.4 | Confident | 115 Ų | 115 | 112.3 Ų | 112.3 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 175.1 | -163.6 | -175.6 | 105.1 | 0 | 0 | 112 | Q585 Q586 Q592 Q593 | Q585-Q589 WeakPolarHBondContact O-CB 3.41Å; Q585-Q589 PolarHBondContact O-N 2.96Å; Q586-Q589 PolarHBondContact O-N 3.08Å; Q589-Q592 PolarHBondContact O-N 3.08Å; Q589-Q593 PolarHBondContact O-N 3.27Å |
| 590 | Q | 78.5 | Confident | 78.9 | Confident | 93 Ų | 93 | 110.5 Ų | 110.5 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.3 | -39.3 | 175.3 | -161.2 | -177.3 | 102.2 | 0 | 0 | 111.9 | Q586 Q587 Q593 Q594 | Q586-Q590 WeakPolarHBondContact O-CB 3.45Å; Q586-Q590 PolarHBondContact O-N 3.47Å; Q587-Q590 PolarHBondContact O-N 3.29Å; Q590-Q593 PolarHBondContact O-N 2.9Å; Q590-Q594 PolarHBondContact O-N 3.37Å; Q590-Q594 VanDerWaalsContact O-N 3.16Å |
| 591 | Q | 82.3 | Confident | 79.1 | Confident | 132 Ų | 132 | 110.3 Ų | 110.3 | 62% | 0.617 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.5 | -38.9 | 174.6 | -162.2 | 179.5 | 103.6 | 0 | 0 | 111.8 | Q587 Q588 Q594 Q595 | Q587-Q591 PolarHBondContact O-N 3.01Å; Q588-Q591 PolarHBondContact O-N 2.94Å; Q591-Q594 PolarHBondContact O-N 3.01Å; Q591-Q595 PolarHBondContact O-N 3.4Å; Q591-Q595 VanDerWaalsContact O-N 3.07Å |
| 592 | Q | 82 | Confident | 79.3 | Confident | 126 Ų | 126 | 110.5 Ų | 110.5 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.8 | -39.2 | 177 | -162.9 | -180 | 98.8 | 0 | 0 | 112.5 | Q588 Q589 Q594 Q595 Q596 | Q588-Q592 PolarHBondContact O-N 3.33Å; Q589-Q592 PolarHBondContact O-N 3.08Å; Q592-Q594 VanDerWaalsContact C-N 3.35Å; Q592-Q594 PolarHBondContact O-N 3.47Å; Q592-Q595 PolarHBondContact O-N 3.45Å; Q592-Q596 WeakPolarHBondContact O-CB 3.48Å; Q592-Q596 PolarHBondContact O-N 2.91Å |
| 593 | Q | 74.8 | Confident | 79.4 | Confident | 51 Ų | 51 | 112.8 Ų | 112.8 | 24% | 0.238 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 170.2 | -75.2 | -179.4 | 7.9 | 0 | 0 | 111.6 | Q589 Q590 Q595 Q596 Q597 | Q589-Q593 PolarHBondContact O-N 3.27Å; Q590-Q593 PolarHBondContact O-N 2.9Å; Q593-Q595 VanDerWaalsContact C-N 3.33Å; Q593-Q595 PolarHBondContact O-N 3.31Å; Q593-Q596 PolarHBondContact O-N 3.2Å; Q593-Q597 WeakPolarHBondContact O-CB 3.48Å; Q593-Q597 PolarHBondContact O-N 2.86Å |
| 594 | Q | 79.9 | Confident | 79.2 | Confident | 133 Ų | 133 | 111.3 Ų | 111.3 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.7 | -40.6 | -177.8 | -153.7 | -177.4 | 107.7 | 0 | 0 | 111.7 | Q590 Q591 Q592 Q597 Q598 | Q590-Q594 PolarHBondContact O-N 3.37Å; Q590-Q594 VanDerWaalsContact O-N 3.16Å; Q591-Q594 PolarHBondContact O-N 3.01Å; Q592-Q594 VanDerWaalsContact C-N 3.35Å; Q592-Q594 PolarHBondContact O-N 3.47Å; Q594-Q597 PolarHBondContact O-N 3.11Å; Q594-Q598 WeakPolarHBondContact O-CB 3.34Å; Q594-Q598 PolarHBondContact O-N 2.71Å |
| 595 | Q | 82.4 | Confident | 79.1 | Confident | 128 Ų | 128 | 111 Ų | 111 | 60% | 0.598 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.4 | -42.1 | 175.2 | -162.8 | -178.8 | 100 | 0 | 0 | 112.2 | Q591 Q592 Q593 Q598 Q599 | Q591-Q595 PolarHBondContact O-N 3.4Å; Q591-Q595 VanDerWaalsContact O-N 3.07Å; Q592-Q595 PolarHBondContact O-N 3.45Å; Q593-Q595 VanDerWaalsContact C-N 3.33Å; Q593-Q595 PolarHBondContact O-N 3.31Å; Q595-Q598 PolarHBondContact O-N 3.17Å; Q595-Q599 PolarHBondContact O-N 3.43Å |
| 596 | Q | 78.6 | Confident | 79.1 | Confident | 99 Ų | 99 | 111.1 Ų | 111.1 | 46% | 0.463 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -38.9 | 177.4 | -162.5 | -178.7 | 111.5 | 0 | 0 | 112.1 | Q592 Q593 Q599 Q600 | Q592-Q596 WeakPolarHBondContact O-CB 3.48Å; Q592-Q596 PolarHBondContact O-N 2.91Å; Q593-Q596 PolarHBondContact O-N 3.2Å; Q596-Q599 PolarHBondContact O-N 3.19Å; Q596-Q600 PolarHBondContact O-N 2.89Å; Q596-Q600 VanDerWaalsContact O-N 3.11Å |
| 597 | Q | 76.8 | Confident | 78.9 | Confident | 92 Ų | 92 | 110.9 Ų | 110.9 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 175.5 | -164.8 | -179.4 | 111.4 | 0 | 0 | 111.8 | Q593 Q594 Q600 Q601 | Q593-Q597 WeakPolarHBondContact O-CB 3.48Å; Q593-Q597 PolarHBondContact O-N 2.86Å; Q594-Q597 PolarHBondContact O-N 3.11Å; Q597-Q600 PolarHBondContact O-N 3.03Å; Q597-Q601 PolarHBondContact O-N 2.9Å; Q597-Q601 VanDerWaalsContact O-N 3.08Å |
| 598 | Q | 81.5 | Confident | 78.7 | Confident | 127 Ų | 127 | 110.7 Ų | 110.7 | 59% | 0.593 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.9 | -40.6 | 175.5 | -163.1 | -178.2 | 107.1 | 0 | 0 | 111.8 | Q594 Q595 Q601 Q602 | Q594-Q598 WeakPolarHBondContact O-CB 3.34Å; Q594-Q598 PolarHBondContact O-N 2.71Å; Q595-Q598 PolarHBondContact O-N 3.17Å; Q598-Q601 PolarHBondContact O-N 3.47Å; Q598-Q602 PolarHBondContact O-N 2.9Å |
| 599 | Q | 81.3 | Confident | 78.5 | Confident | 126 Ų | 126 | 110.2 Ų | 110.2 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64 | -41.7 | 177.6 | -164.3 | -177.9 | 98 | 0 | 0 | 112.3 | Q595 Q596 Q602 Q603 | Q595-Q599 PolarHBondContact O-N 3.43Å; Q596-Q599 PolarHBondContact O-N 3.19Å; Q599-Q602 PolarHBondContact O-N 2.99Å; Q599-Q603 PolarHBondContact O-N 2.98Å |
| 600 | Q | 74.8 | Confident | 78.3 | Confident | 72 Ų | 72 | 110.2 Ų | 110.2 | 34% | 0.336 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 173.3 | -74 | -164.9 | 34.5 | 0 | 0 | 112.6 | Q596 Q597 Q602 Q603 Q604 | Q596-Q600 PolarHBondContact O-N 2.89Å; Q596-Q600 VanDerWaalsContact O-N 3.11Å; Q597-Q600 PolarHBondContact O-N 3.03Å; Q600-Q602 VanDerWaalsContact C-N 3.29Å; Q600-Q602 PolarHBondContact O-N 3.1Å; Q600-Q603 PolarHBondContact O-N 3.41Å; Q600-Q604 WeakPolarHBondContact O-CB 3.16Å; Q600-Q604 PolarHBondContact O-N 2.89Å |
| 601 | Q | 78.1 | Confident | 77.9 | Confident | 128 Ų | 128 | 108.5 Ų | 108.5 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.5 | -40.6 | 177.8 | -160.3 | -176.9 | 109.5 | 0 | 0 | 111.2 | Q597 Q598 Q604 Q605 | Q597-Q601 PolarHBondContact O-N 2.9Å; Q597-Q601 VanDerWaalsContact O-N 3.08Å; Q598-Q601 PolarHBondContact O-N 3.47Å; Q601-Q604 PolarHBondContact O-N 3.31Å; Q601-Q605 WeakPolarHBondContact O-CB 3.37Å; Q601-Q605 PolarHBondContact O-N 3.23Å |
| 602 | Q | 81.3 | Confident | 77.4 | Confident | 127 Ų | 127 | 107.3 Ų | 107.3 | 59% | 0.593 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.8 | -43.2 | 175 | -160.4 | -177.4 | 101.6 | 0 | 0 | 112.1 | Q598 Q599 Q600 Q604 Q605 Q606 | Q598-Q602 PolarHBondContact O-N 2.9Å; Q599-Q602 PolarHBondContact O-N 2.99Å; Q600-Q602 VanDerWaalsContact C-N 3.29Å; Q600-Q602 PolarHBondContact O-N 3.1Å; Q602-Q604 PolarHBondContact O-N 3.49Å; Q602-Q605 PolarHBondContact O-N 2.92Å; Q602-Q606 PolarHBondContact O-N 3.36Å |
| 603 | Q | 77.3 | Confident | 76.9 | Confident | 111 Ų | 111 | 106.8 Ų | 106.8 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 177.2 | -162.8 | -175.1 | 107.5 | 0 | 0 | 112.4 | Q599 Q600 Q606 Q607 | Q599-Q603 PolarHBondContact O-N 2.98Å; Q600-Q603 PolarHBondContact O-N 3.41Å; Q603-Q606 PolarHBondContact O-N 2.87Å; Q603-Q607 PolarHBondContact O-N 3.41Å; Q603-Q607 VanDerWaalsContact O-N 3.09Å |
| 604 | Q | 74.6 | Confident | 76.5 | Confident | 99 Ų | 99 | 110 Ų | 110 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 175.9 | -163 | 179.5 | 116.1 | 0 | 0 | 111.7 | Q600 Q601 Q602 Q607 Q608 | Q600-Q604 WeakPolarHBondContact O-CB 3.16Å; Q600-Q604 PolarHBondContact O-N 2.89Å; Q601-Q604 PolarHBondContact O-N 3.31Å; Q602-Q604 PolarHBondContact O-N 3.49Å; Q604-Q607 PolarHBondContact O-N 2.89Å; Q604-Q608 PolarHBondContact O-N 2.91Å; Q604-Q608 VanDerWaalsContact O-N 3.13Å |
| 605 | Q | 79 | Confident | 75.6 | Confident | 127 Ų | 127 | 108.7 Ų | 108.7 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.4 | -40 | 175 | -157.8 | -178.4 | 107.3 | 0 | 0 | 111.6 | Q601 Q602 Q608 Q609 | Q601-Q605 WeakPolarHBondContact O-CB 3.37Å; Q601-Q605 PolarHBondContact O-N 3.23Å; Q602-Q605 PolarHBondContact O-N 2.92Å; Q605-Q608 WeakPolarHBondContact O-CB 3.36Å; Q605-Q608 PolarHBondContact O-N 3.37Å; Q605-Q609 PolarHBondContact O-N 2.78Å |
| 606 | Q | 79.6 | Confident | 74.6 | Confident | 119 Ų | 119 | 108.5 Ų | 108.5 | 56% | 0.556 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.8 | -41.2 | 177.6 | -161 | -176.8 | 97.8 | 0 | 0 | 112.7 | Q602 Q603 Q608 Q609 Q610 | Q602-Q606 PolarHBondContact O-N 3.36Å; Q603-Q606 PolarHBondContact O-N 2.87Å; Q606-Q608 VanDerWaalsContact C-N 3.33Å; Q606-Q608 PolarHBondContact O-N 2.85Å; Q606-Q609 PolarHBondContact O-N 3.3Å; Q606-Q610 PolarHBondContact O-N 2.93Å; Q606-Q610 VanDerWaalsContact O-N 3.08Å |
| 607 | Q | 74.2 | Confident | 73.4 | Confident | 73 Ų | 73 | 108.4 Ų | 108.4 | 34% | 0.341 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 170.8 | -85.8 | -171.4 | 42.4 | 0 | 0 | 112.2 | Q603 Q604 Q609 Q610 Q611 | Q603-Q607 PolarHBondContact O-N 3.41Å; Q603-Q607 VanDerWaalsContact O-N 3.09Å; Q604-Q607 PolarHBondContact O-N 2.89Å; Q607-Q609 VanDerWaalsContact C-N 3.3Å; Q607-Q609 PolarHBondContact O-N 3.01Å; Q607-Q610 PolarHBondContact O-N 2.88Å; Q607-Q611 PolarHBondContact O-N 3.49Å; Q607-Q611 VanDerWaalsContact O-N 3.08Å |
| 608 | Q | 75 | Confident | 72.3 | Confident | 119 Ų | 119 | 110.1 Ų | 110.1 | 56% | 0.556 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.7 | -37.2 | 179.5 | -152.6 | -177.7 | 109.5 | 0 | 0 | 111.5 | Q604 Q605 Q606 Q611 Q612 | Q604-Q608 PolarHBondContact O-N 2.91Å; Q604-Q608 VanDerWaalsContact O-N 3.13Å; Q605-Q608 WeakPolarHBondContact O-CB 3.36Å; Q605-Q608 PolarHBondContact O-N 3.37Å; Q606-Q608 VanDerWaalsContact C-N 3.33Å; Q606-Q608 PolarHBondContact O-N 2.85Å; Q608-Q611 PolarHBondContact O-N 3.35Å; Q608-Q612 PolarHBondContact O-N 2.65Å; Q608-Q612 VanDerWaalsContact O-N 3.13Å |
| 609 | Q | 77.5 | Confident | 70.8 | Confident | 117 Ų | 117 | 108.2 Ų | 108.2 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.5 | -39.9 | 176 | -152.7 | -179.7 | 95.7 | 0 | 0 | 112.3 | Q605 Q606 Q607 Q611 Q612 Q613 | Q605-Q609 PolarHBondContact O-N 2.78Å; Q606-Q609 PolarHBondContact O-N 3.3Å; Q607-Q609 VanDerWaalsContact C-N 3.3Å; Q607-Q609 PolarHBondContact O-N 3.01Å; Q609-Q611 VanDerWaalsContact C-N 3.35Å; Q609-Q611 PolarHBondContact O-N 2.65Å; Q609-Q612 PolarHBondContact O-N 2.66Å; Q609-Q613 PolarHBondContact O-N 2.71Å |
| 610 | Q | 74.5 | Confident | 69.1 | Low | 115 Ų | 115 | 109 Ų | 109 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 171 | -78.6 | -166.6 | 14.5 | 0 | 0 | 112.6 | Q606 Q607 Q612 Q613 Q614 | Q606-Q610 PolarHBondContact O-N 2.93Å; Q606-Q610 VanDerWaalsContact O-N 3.08Å; Q607-Q610 PolarHBondContact O-N 2.88Å; Q610-Q612 VanDerWaalsContact C-N 3.29Å; Q610-Q612 PolarHBondContact O-N 3.28Å; Q610-Q613 PolarHBondContact O-N 3.38Å; Q610-Q614 PolarHBondContact O-N 2.87Å |
| 611 | Q | 70.4 | Confident | 67.9 | Low | 57 Ų | 57 | 111.3 Ų | 111.3 | 27% | 0.266 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -31.1 | 176.2 | -73 | -165.9 | 14.4 | 0 | 0 | 112.8 | Q607 Q608 Q609 Q615 | Q607-Q611 PolarHBondContact O-N 3.49Å; Q607-Q611 VanDerWaalsContact O-N 3.08Å; Q608-Q611 PolarHBondContact O-N 3.35Å; Q609-Q611 VanDerWaalsContact C-N 3.35Å; Q609-Q611 PolarHBondContact O-N 2.65Å; Q611-Q615 WeakPolarHBondContact O-CG 3.42Å; Q611-Q615 PolarHBondContact O-N 3.23Å; Q611-Q615 PolarHBondContact O-NE2 3.32Å; Q611-Q615 VanDerWaalsContact O-NE2 3.17Å |
| 612 | Q | 72 | Confident | 66.1 | Low | 107 Ų | 107 | 109.7 Ų | 109.7 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.7 | -44.7 | 173 | -69.5 | -167 | 27.4 | 0 | 0 | 112 | Q608 Q609 Q610 Q614 Q615 Q616 | Q608-Q612 PolarHBondContact O-N 2.65Å; Q608-Q612 VanDerWaalsContact O-N 3.13Å; Q609-Q612 PolarHBondContact O-N 2.66Å; Q610-Q612 VanDerWaalsContact C-N 3.29Å; Q610-Q612 PolarHBondContact O-N 3.28Å; Q612-Q614 PolarHBondContact O-N 2.91Å; Q612-Q615 PolarHBondContact O-N 3.49Å; Q612-Q615 VanDerWaalsContact O-N 3.08Å; Q612-Q616 PolarHBondContact O-N 2.95Å |
| 613 | Q | 71.4 | Confident | 64.5 | Low | 115 Ų | 115 | 107.1 Ų | 107.1 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -43.4 | 176 | -71.7 | -170.6 | 10 | 0 | 0 | 112.1 | Q609 Q610 Q615 Q616 L617 | Q609-Q613 PolarHBondContact O-N 2.71Å; Q610-Q613 PolarHBondContact O-N 3.38Å; Q613-Q615 VanDerWaalsContact C-N 3.26Å; Q613-Q615 PolarHBondContact O-N 3.39Å; Q613-Q616 PolarHBondContact O-N 3.37Å; Q613-L617 WeakPolarHBondContact O-CG 3.42Å; Q613-L617 PolarHBondContact O-N 3.37Å |
| 614 | Q | 65.5 | Low | 63.3 | Low | 119 Ų | 119 | 107 Ų | 107 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -30.1 | 175.1 | -73.2 | -171.1 | 49 | 0 | 0 | 113.3 | Q610 Q612 K618 | Q610-Q614 PolarHBondContact O-N 2.87Å; Q612-Q614 PolarHBondContact O-N 2.91Å; Q614-K618 WeakPolarHBondContact O-CB 3.43Å; Q614-K618 PolarHBondContact O-N 3.41Å |
| 615 | Q | 62 | Low | 62.2 | Low | 106 Ų | 106 | 108.8 Ų | 108.8 | 50% | 0.495 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -76.2 | -34.8 | 173.8 | -77.4 | 177.4 | 80.3 | 0 | 0 | 112.7 | Q611 Q612 Q613 K618 Q619 | Q611-Q615 WeakPolarHBondContact O-CG 3.42Å; Q611-Q615 PolarHBondContact O-N 3.23Å; Q611-Q615 PolarHBondContact O-NE2 3.32Å; Q611-Q615 VanDerWaalsContact O-NE2 3.17Å; Q612-Q615 PolarHBondContact O-N 3.49Å; Q612-Q615 VanDerWaalsContact O-N 3.08Å; Q613-Q615 VanDerWaalsContact C-N 3.26Å; Q613-Q615 PolarHBondContact O-N 3.39Å; Q615-K618 PolarHBondContact O-N 3.38Å; Q615-Q619 PolarHBondContact O-N 2.92Å; Q615-Q619 VanDerWaalsContact O-N 3.09Å |
| 616 | Q | 60.4 | Low | 61.1 | Low | 124 Ų | 124 | 107.4 Ų | 107.4 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.3 | -47.1 | 173.3 | -71 | -177.4 | 3.8 | 0 | 0 | 111.4 | Q612 Q613 K618 Q619 Q620 | Q612-Q616 PolarHBondContact O-N 2.95Å; Q613-Q616 PolarHBondContact O-N 3.37Å; Q616-K618 PolarHBondContact O-N 2.92Å; Q616-Q619 PolarHBondContact O-N 3.22Å; Q616-Q620 PolarHBondContact O-N 3.43Å |
| 617 | L | 54.4 | Low | 60.2 | Low | 96 Ų | 96 | 106.4 Ų | 106.4 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.8 | -37.3 | 174.6 | -75.3 | 163.8 | 0 | 0 | 0 | 112.6 | Q613 H621 | Q613-L617 WeakPolarHBondContact O-CG 3.42Å; Q613-L617 PolarHBondContact O-N 3.37Å; L617-H621 PolarHBondContact O-N 2.99Å; L617-H621 PolarHBondContact O-ND1 2.95Å |
| 618 | K | 52.6 | Low | 59.7 | Low | 128 Ų | 128 | 107.8 Ų | 107.8 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -72.4 | -23.3 | 173.6 | -91.8 | -179.5 | 172.3 | 171.9 | 0 | 115 | Q614 Q615 Q616 | Q614-K618 WeakPolarHBondContact O-CB 3.43Å; Q614-K618 PolarHBondContact O-N 3.41Å; Q615-K618 PolarHBondContact O-N 3.38Å; Q616-K618 PolarHBondContact O-N 2.92Å |
| 619 | Q | 50.9 | Low | 59.3 | Low | 88 Ų | 88 | 106.7 Ų | 106.7 | 41% | 0.411 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -82.4 | -39.3 | 171.1 | -77.4 | -176.3 | 92.5 | 0 | 0 | 111.1 | Q615 Q616 H621 Q622 P623 | Q615-Q619 PolarHBondContact O-N 2.92Å; Q615-Q619 VanDerWaalsContact O-N 3.09Å; Q616-Q619 PolarHBondContact O-N 3.22Å; Q619-H621 PolarHBondContact O-N 3.03Å; Q619-Q622 WeakPolarHBondContact O-CB 3.36Å; Q619-Q622 PolarHBondContact O-N 3.42Å; Q619-P623 WeakPolarHBondContact O-CD 3.37Å |
| 620 | Q | 45.7 | Very low | 59 | Low | 141 Ų | 141 | 107.3 Ų | 107.3 | 66% | 0.659 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.4 | -37.5 | -179.4 | -166.2 | 174.2 | 10.5 | 0 | 0 | 112.9 | Q616 Q622 P623 | Q616-Q620 PolarHBondContact O-N 3.43Å; Q620-Q622 VanDerWaalsContact C-N 3.3Å; Q620-P623 WeakPolarHBondContact O-CD 3.29Å |
| 621 | H | 48.7 | Very low | 58.8 | Low | 122 Ų | 122 | 106.1 Ų | 106.1 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -4.3 | 172.7 | -77.9 | 78.5 | 0 | 0 | 0 | 114.2 | L617 Q619 Q625 | L617-H621 PolarHBondContact O-N 2.99Å; L617-H621 PolarHBondContact O-ND1 2.95Å; Q619-H621 PolarHBondContact O-N 3.03Å; H621-Q625 WeakPolarHBondContact O-CB 3.38Å; H621-Q625 PolarHBondContact O-N 2.91Å |
| 622 | Q | 41.2 | Very low | 58.8 | Low | 93 Ų | 93 | 106.6 Ų | 106.6 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.5 | -44.3 | -174.9 | -156.8 | 170.6 | 118.3 | 0 | 0 | 114.9 | Q619 Q620 Q625 Q626 | Q619-Q622 WeakPolarHBondContact O-CB 3.36Å; Q619-Q622 PolarHBondContact O-N 3.42Å; Q620-Q622 VanDerWaalsContact C-N 3.3Å; Q622-Q625 PolarHBondContact O-N 3.38Å; Q622-Q626 WeakPolarHBondContact O-CB 3.38Å; Q622-Q626 VanDerWaalsContact O-CG 3.3Å; Q622-Q626 WeakPolarHBondContact O-CG 3.34Å; Q622-Q626 PolarHBondContact O-N 2.84Å |
| 623 | P | 48 | Very low | 58.7 | Low | 73 Ų | 73 | 104.3 Ų | 104.3 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 178 | 23.4 | -32.9 | 0 | 0 | 0 | 111.7 | Q619 Q620 Q625 Q626 Q627 | Q619-P623 WeakPolarHBondContact O-CD 3.37Å; Q620-P623 WeakPolarHBondContact O-CD 3.29Å; P623-Q625 PolarHBondContact O-N 3.15Å; P623-Q626 CarbonylContact O-C 3.58Å; P623-Q626 PolarHBondContact O-N 3.39Å; P623-Q626 VanDerWaalsContact O-N 3.16Å; P623-Q627 WeakPolarHBondContact O-CB 3.02Å; P623-Q627 PolarHBondContact O-N 3.15Å |
| 624 | D | 51.3 | Low | 58.8 | Low | 108 Ų | 108 | 103.8 Ų | 103.8 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -41.5 | 178.7 | -67.1 | -21.9 | 0 | 0 | 0 | 112.1 | Q626 Q627 L628 | D624-Q626 PolarHBondContact O-N 3.05Å; D624-Q627 PolarHBondContact O-N 3.49Å; D624-L628 VanDerWaalsContact O-CB 3.31Å; D624-L628 WeakPolarHBondContact O-CB 3.44Å; D624-L628 PolarHBondContact O-N 2.88Å |
| 625 | Q | 51.9 | Low | 59.2 | Low | 138 Ų | 138 | 102.8 Ų | 102.8 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64 | -40.3 | 174.5 | -176.1 | 171.4 | 100.5 | 0 | 0 | 111.6 | H621 Q622 P623 Q629 | H621-Q625 WeakPolarHBondContact O-CB 3.38Å; H621-Q625 PolarHBondContact O-N 2.91Å; Q622-Q625 PolarHBondContact O-N 3.38Å; P623-Q625 PolarHBondContact O-N 3.15Å; Q625-Q629 WeakPolarHBondContact O-CB 3.38Å; Q625-Q629 PolarHBondContact O-N 3.31Å |
| 626 | Q | 57 | Low | 59.6 | Low | 98 Ų | 98 | 100.8 Ų | 100.8 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.3 | -36.3 | 174.2 | -74.6 | -177.6 | 21.7 | 0 | 0 | 112.4 | Q622 P623 D624 Q629 K630 | Q622-Q626 WeakPolarHBondContact O-CB 3.38Å; Q622-Q626 VanDerWaalsContact O-CG 3.3Å; Q622-Q626 WeakPolarHBondContact O-CG 3.34Å; Q622-Q626 PolarHBondContact O-N 2.84Å; P623-Q626 CarbonylContact O-C 3.58Å; P623-Q626 PolarHBondContact O-N 3.39Å; P623-Q626 VanDerWaalsContact O-N 3.16Å; D624-Q626 PolarHBondContact O-N 3.05Å; Q626-Q629 PolarHBondContact O-N 2.89Å; Q626-K630 WeakPolarHBondContact O-CB 3.36Å; Q626-K630 VanDerWaalsContact O-CG 3.25Å; Q626-K630 WeakPolarHBondContact O-CG 3.43Å; Q626-K630 PolarHBondContact O-N 2.98Å |
| 627 | Q | 60.1 | Low | 60.3 | Low | 97 Ų | 97 | 100.7 Ų | 100.7 | 45% | 0.453 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.9 | -42.5 | 178.6 | -169 | 159.2 | -13.5 | 0 | 0 | 111 | P623 D624 Q629 K630 I631 | P623-Q627 WeakPolarHBondContact O-CB 3.02Å; P623-Q627 PolarHBondContact O-N 3.15Å; D624-Q627 PolarHBondContact O-N 3.49Å; Q627-Q629 PolarHBondContact O-N 3.23Å; Q627-K630 WeakPolarHBondContact O-CB 3.38Å; Q627-K630 PolarHBondContact O-N 2.9Å; Q627-I631 HydrophobicContact CG-CD1 4.41Å; Q627-I631 VanDerWaalsContact O-CG1 3.29Å; Q627-I631 WeakPolarHBondContact O-CG1 3.49Å; Q627-I631 PolarHBondContact O-N 3.22Å |
| 628 | L | 64.4 | Low | 61.2 | Low | 103 Ų | 103 | 99.5 Ų | 99.5 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 170 | -175.4 | 59.9 | 0 | 0 | 0 | 111.7 | D624 K630 I631 I632 | D624-L628 VanDerWaalsContact O-CB 3.31Å; D624-L628 WeakPolarHBondContact O-CB 3.44Å; D624-L628 PolarHBondContact O-N 2.88Å; L628-K630 PolarHBondContact O-N 3.05Å; L628-I631 PolarHBondContact O-N 2.73Å; L628-I632 HydrophobicContact CD1-CD1 4.34Å; L628-I632 HydrophobicContact CD1-CG1 4.49Å; L628-I632 HydrophobicContact CG-CD1 3.99Å; L628-I632 WeakPolarHBondContact O-CB 3.45Å; L628-I632 VanDerWaalsContact O-CG1 3.28Å; L628-I632 WeakPolarHBondContact O-CG1 3.45Å; L628-I632 PolarHBondContact O-N 2.93Å |
| 629 | Q | 66.2 | Low | 62.2 | Low | 95 Ų | 95 | 97 Ų | 97 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -36.9 | 175.9 | -165.3 | 68.4 | 55 | 0 | 0 | 112 | Q625 Q626 Q627 T633 | Q625-Q629 WeakPolarHBondContact O-CB 3.38Å; Q625-Q629 PolarHBondContact O-N 3.31Å; Q626-Q629 PolarHBondContact O-N 2.89Å; Q627-Q629 PolarHBondContact O-N 3.23Å; Q629-T633 WeakPolarHBondContact O-CB 3.5Å; Q629-T633 PolarHBondContact O-N 2.92Å; Q629-T633 PolarHBondContact O-OG1 3.13Å |
| 630 | K | 71.3 | Confident | 63.2 | Low | 130 Ų | 130 | 94.8 Ų | 94.8 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63 | -47.1 | 170.8 | -74.3 | 163.5 | -176.7 | 172.3 | 0 | 111.2 | Q626 Q627 L628 I632 T633 L634 | Q626-K630 WeakPolarHBondContact O-CB 3.36Å; Q626-K630 VanDerWaalsContact O-CG 3.25Å; Q626-K630 WeakPolarHBondContact O-CG 3.43Å; Q626-K630 PolarHBondContact O-N 2.98Å; Q627-K630 WeakPolarHBondContact O-CB 3.38Å; Q627-K630 PolarHBondContact O-N 2.9Å; L628-K630 PolarHBondContact O-N 3.05Å; K630-I632 PolarHBondContact O-N 2.66Å; K630-T633 PolarHBondContact O-N 3.39Å; K630-L634 WeakPolarHBondContact O-CB 3.47Å; K630-L634 WeakPolarHBondContact O-CG 3.43Å; K630-L634 PolarHBondContact O-N 2.85Å |
| 631 | I | 69.6 | Low | 64.6 | Low | 91 Ų | 91 | 89.3 Ų | 89.3 | 47% | 0.467 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 177.6 | -69 | 163 | 0 | 0 | 0 | 111.2 | Q627 L628 L634 K635 | Q627-I631 HydrophobicContact CG-CD1 4.41Å; Q627-I631 VanDerWaalsContact O-CG1 3.29Å; Q627-I631 WeakPolarHBondContact O-CG1 3.49Å; Q627-I631 PolarHBondContact O-N 3.22Å; L628-I631 PolarHBondContact O-N 2.73Å; I631-L634 PolarHBondContact O-N 2.92Å; I631-K635 WeakPolarHBondContact O-CB 3.31Å; I631-K635 PolarHBondContact O-N 2.89Å |
| 632 | I | 70.9 | Confident | 65.8 | Low | 66 Ų | 66 | 85.8 Ų | 85.8 | 34% | 0.338 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 174 | -69.2 | 164.9 | 0 | 0 | 0 | 110.4 | L628 K630 L634 K635 D636 | L628-I632 HydrophobicContact CD1-CD1 4.34Å; L628-I632 HydrophobicContact CD1-CG1 4.49Å; L628-I632 HydrophobicContact CG-CD1 3.99Å; L628-I632 WeakPolarHBondContact O-CB 3.45Å; L628-I632 VanDerWaalsContact O-CG1 3.28Å; L628-I632 WeakPolarHBondContact O-CG1 3.45Å; L628-I632 PolarHBondContact O-N 2.93Å; K630-I632 PolarHBondContact O-N 2.66Å; I632-L634 PolarHBondContact O-N 3.25Å; I632-K635 PolarHBondContact O-N 2.74Å; I632-D636 WeakPolarHBondContact O-CB 3.45Å; I632-D636 PolarHBondContact O-N 3.37Å |
| 633 | T | 70.1 | Confident | 67.4 | Low | 60 Ų | 60 | 85.2 Ų | 85.2 | 37% | 0.368 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 179.9 | -54.7 | 0 | 0 | 0 | 0 | 112 | Q629 K630 D636 Q637 | Q629-T633 WeakPolarHBondContact O-CB 3.5Å; Q629-T633 PolarHBondContact O-N 2.92Å; Q629-T633 PolarHBondContact O-OG1 3.13Å; K630-T633 PolarHBondContact O-N 3.39Å; T633-D636 PolarHBondContact O-N 3.49Å; T633-Q637 WeakPolarHBondContact O-CB 3.43Å; T633-Q637 VanDerWaalsContact O-CG 3.25Å; T633-Q637 WeakPolarHBondContact O-CG 3.39Å; T633-Q637 PolarHBondContact O-N 3.45Å |
| 634 | L | 73.6 | Confident | 68.6 | Low | 103 Ų | 103 | 84.5 Ų | 84.5 | 54% | 0.539 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 175.4 | -72.3 | 167.6 | 0 | 0 | 0 | 111.4 | K630 I631 I632 D636 Q637 V638 | K630-L634 WeakPolarHBondContact O-CB 3.47Å; K630-L634 WeakPolarHBondContact O-CG 3.43Å; K630-L634 PolarHBondContact O-N 2.85Å; I631-L634 PolarHBondContact O-N 2.92Å; I632-L634 PolarHBondContact O-N 3.25Å; L634-D636 PolarHBondContact O-N 3.2Å; L634-Q637 PolarHBondContact O-N 2.94Å; L634-V638 WeakPolarHBondContact O-CG2 3.45Å; L634-V638 PolarHBondContact O-N 3.46Å |
| 635 | K | 73 | Confident | 69.7 | Low | 99 Ų | 99 | 81.3 Ų | 81.3 | 43% | 0.43 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 175.3 | 179.9 | -177.2 | 175.5 | -174.4 | 0 | 111.7 | I631 I632 V638 I639 | I631-K635 WeakPolarHBondContact O-CB 3.31Å; I631-K635 PolarHBondContact O-N 2.89Å; I632-K635 PolarHBondContact O-N 2.74Å; K635-V638 PolarHBondContact O-N 3.12Å; K635-I639 HydrophobicContact CG-CD1 3.87Å; K635-I639 WeakPolarHBondContact O-CB 3.24Å; K635-I639 VanDerWaalsContact O-CG1 3.26Å; K635-I639 WeakPolarHBondContact O-CG1 3.37Å; K635-I639 PolarHBondContact O-N 3.29Å |
| 636 | D | 70.7 | Confident | 70.6 | Confident | 64 Ų | 64 | 75.8 Ų | 75.8 | 34% | 0.342 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -69.5 | -35.2 | 178.6 | -70.4 | -15.1 | 0 | 0 | 0 | 111.8 | I632 T633 L634 G640 | I632-D636 WeakPolarHBondContact O-CB 3.45Å; I632-D636 PolarHBondContact O-N 3.37Å; T633-D636 PolarHBondContact O-N 3.49Å; L634-D636 PolarHBondContact O-N 3.2Å; D636-G640 PolarHBondContact O-N 3.13Å |
| 637 | Q | 75.4 | Confident | 71.3 | Confident | 122 Ų | 122 | 72.7 Ų | 72.7 | 57% | 0.57 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.3 | -43.8 | 170.2 | -75.9 | 173.7 | 8.6 | 0 | 0 | 112.1 | T633 L634 G640 A641 | T633-Q637 WeakPolarHBondContact O-CB 3.43Å; T633-Q637 VanDerWaalsContact O-CG 3.25Å; T633-Q637 WeakPolarHBondContact O-CG 3.39Å; T633-Q637 PolarHBondContact O-N 3.45Å; L634-Q637 PolarHBondContact O-N 2.94Å; Q637-G640 PolarHBondContact O-N 3.45Å; Q637-A641 WeakPolarHBondContact O-CB 3.48Å; Q637-A641 PolarHBondContact O-N 2.85Å |
| 638 | V | 73.4 | Confident | 72.1 | Confident | 71 Ų | 71 | 73.2 Ų | 73.2 | 43% | 0.43 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65 | -44.3 | 176.2 | 169.2 | 0 | 0 | 0 | 0 | 111.2 | L634 K635 A641 L642 | L634-V638 WeakPolarHBondContact O-CG2 3.45Å; L634-V638 PolarHBondContact O-N 3.46Å; K635-V638 PolarHBondContact O-N 3.12Å; V638-A641 PolarHBondContact O-N 3.02Å; V638-L642 HydrophobicContact CG1-CD1 4.36Å; V638-L642 HydrophobicContact CG1-CD2 4.38Å; V638-L642 WeakPolarHBondContact O-CB 3.49Å; V638-L642 PolarHBondContact O-N 3.35Å |
| 639 | I | 72.2 | Confident | 72.5 | Confident | 75 Ų | 75 | 69.5 Ų | 69.5 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 175.6 | -70.6 | 168.7 | 0 | 0 | 0 | 111 | K635 L642 T643 | K635-I639 HydrophobicContact CG-CD1 3.87Å; K635-I639 WeakPolarHBondContact O-CB 3.24Å; K635-I639 VanDerWaalsContact O-CG1 3.26Å; K635-I639 WeakPolarHBondContact O-CG1 3.37Å; K635-I639 PolarHBondContact O-N 3.29Å; I639-L642 PolarHBondContact O-N 3.01Å; I639-T643 VanDerWaalsContact O-CB 3.28Å; I639-T643 WeakPolarHBondContact O-CB 3.49Å; I639-T643 PolarHBondContact O-N 3.39Å; I639-T643 PolarHBondContact O-OG1 3.41Å |
| 640 | G | 73.3 | Confident | 72.7 | Confident | 41 Ų | 41 | 70.3 Ų | 70.3 | 42% | 0.423 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | D636 Q637 T643 S644 | D636-G640 PolarHBondContact O-N 3.13Å; Q637-G640 PolarHBondContact O-N 3.45Å; G640-T643 PolarHBondContact O-N 3.23Å; G640-S644 WeakPolarHBondContact O-CB 3.4Å; G640-S644 PolarHBondContact O-N 3.21Å |
| 641 | A | 73.5 | Confident | 73 | Confident | 27 Ų | 27 | 70.4 Ų | 70.4 | 22% | 0.223 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.2 | -52.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q637 V638 T643 S644 E645 | Q637-A641 WeakPolarHBondContact O-CB 3.48Å; Q637-A641 PolarHBondContact O-N 2.85Å; V638-A641 PolarHBondContact O-N 3.02Å; A641-T643 VanDerWaalsContact C-N 3.27Å; A641-T643 PolarHBondContact O-N 3.31Å; A641-S644 WeakPolarHBondContact O-CB 3.25Å; A641-S644 PolarHBondContact O-N 3.39Å; A641-S644 VanDerWaalsContact O-N 3.1Å; A641-E645 WeakPolarHBondContact O-CG 3.4Å; A641-E645 PolarHBondContact O-N 3.47Å |
| 642 | L | 75 | Confident | 73 | Confident | 47 Ų | 47 | 70.1 Ų | 70.1 | 25% | 0.246 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.3 | -39.1 | 176.4 | -95.3 | 168.9 | 0 | 0 | 0 | 112.3 | V638 I639 L646 | V638-L642 HydrophobicContact CG1-CD1 4.36Å; V638-L642 HydrophobicContact CG1-CD2 4.38Å; V638-L642 WeakPolarHBondContact O-CB 3.49Å; V638-L642 PolarHBondContact O-N 3.35Å; I639-L642 PolarHBondContact O-N 3.01Å; L642-L646 WeakPolarHBondContact O-CB 3.27Å; L642-L646 WeakPolarHBondContact O-CG 3.47Å; L642-L646 PolarHBondContact O-N 3.43Å |
| 643 | T | 74.9 | Confident | 72.7 | Confident | 81 Ų | 81 | 68 Ų | 68 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 177.4 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | I639 G640 A641 A647 | I639-T643 VanDerWaalsContact O-CB 3.28Å; I639-T643 WeakPolarHBondContact O-CB 3.49Å; I639-T643 PolarHBondContact O-N 3.39Å; I639-T643 PolarHBondContact O-OG1 3.41Å; G640-T643 PolarHBondContact O-N 3.23Å; A641-T643 VanDerWaalsContact C-N 3.27Å; A641-T643 PolarHBondContact O-N 3.31Å; T643-A647 WeakPolarHBondContact O-CB 3.43Å; T643-A647 PolarHBondContact O-N 3.21Å |
| 644 | S | 72.9 | Confident | 72.8 | Confident | 59 Ų | 59 | 68 Ų | 68 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.6 | -46.7 | 173.6 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | G640 A641 L646 A647 K648 | G640-S644 WeakPolarHBondContact O-CB 3.4Å; G640-S644 PolarHBondContact O-N 3.21Å; A641-S644 WeakPolarHBondContact O-CB 3.25Å; A641-S644 PolarHBondContact O-N 3.39Å; A641-S644 VanDerWaalsContact O-N 3.1Å; S644-L646 PolarHBondContact O-N 3.29Å; S644-A647 WeakPolarHBondContact O-CB 3.26Å; S644-A647 PolarHBondContact O-N 2.9Å; S644-A647 VanDerWaalsContact O-N 3.13Å; S644-K648 WeakPolarHBondContact O-CG 3.25Å; S644-K648 PolarHBondContact O-N 3Å |
| 645 | E | 74.1 | Confident | 72.4 | Confident | 41 Ų | 41 | 66.8 Ų | 66.8 | 19% | 0.192 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 176 | -57 | -47.2 | 146.7 | 0 | 0 | 112 | A641 A647 K648 L649 R767 | A641-E645 WeakPolarHBondContact O-CG 3.4Å; A641-E645 PolarHBondContact O-N 3.47Å; E645-A647 VanDerWaalsContact C-N 3.29Å; E645-A647 PolarHBondContact O-N 3.43Å; E645-K648 PolarHBondContact O-N 3.5Å; E645-K648 IonicContact OE1-NZ 2.9Å; E645-K648 PolarHBondContact OE1-NZ 3.13Å; E645-K648 WeakPolarHBondContact OE2-CD 3.49Å; E645-K648 WeakPolarHBondContact OE2-CE 3.32Å; E645-K648 IonicContact OE2-NZ 3.96Å; E645-K648 PolarHBondContact OE2-NZ 3.3Å; E645-L649 WeakPolarHBondContact O-CB 3.49Å; E645-L649 WeakPolarHBondContact O-CG 3.36Å; E645-L649 PolarHBondContact O-N 3.41Å; E645-R767 IonicContact OE1-NH1 3.99Å |
| 646 | L | 70.7 | Confident | 72.1 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 11% | 0.11 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.3 | -36.8 | 170.7 | -82.9 | 171.5 | 0 | 0 | 0 | 112.7 | L642 S644 R650 L677 L680 | L642-L646 WeakPolarHBondContact O-CB 3.27Å; L642-L646 WeakPolarHBondContact O-CG 3.47Å; L642-L646 PolarHBondContact O-N 3.43Å; S644-L646 PolarHBondContact O-N 3.29Å; L646-R650 WeakPolarHBondContact O-CB 3.37Å; L646-R650 VanDerWaalsContact O-CG 3.29Å; L646-R650 WeakPolarHBondContact O-CG 3.44Å; L646-R650 PolarHBondContact O-N 2.89Å; L646-L677 HydrophobicContact CD2-CD1 3.93Å; L646-L680 HydrophobicContact CD2-CD2 3.89Å; L646-L680 HydrophobicContact CG-CD2 4.08Å |
| 647 | A | 72.6 | Confident | 71.6 | Confident | 34 Ų | 34 | 63.9 Ų | 63.9 | 28% | 0.281 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.6 | -41 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | F219 T643 S644 E645 K651 | F219-A647 HydrophobicContact CE1-CB 4.43Å; F219-A647 HydrophobicContact CZ-CB 4.13Å; T643-A647 WeakPolarHBondContact O-CB 3.43Å; T643-A647 PolarHBondContact O-N 3.21Å; S644-A647 WeakPolarHBondContact O-CB 3.26Å; S644-A647 PolarHBondContact O-N 2.9Å; S644-A647 VanDerWaalsContact O-N 3.13Å; E645-A647 VanDerWaalsContact C-N 3.29Å; E645-A647 PolarHBondContact O-N 3.43Å; A647-K651 WeakPolarHBondContact O-CB 3.24Å; A647-K651 PolarHBondContact O-N 3.44Å |
| 648 | K | 76.2 | Confident | 70.9 | Confident | 107 Ų | 107 | 62.8 Ų | 62.8 | 47% | 0.465 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.6 | -48.6 | 173.3 | -66 | -178.4 | -152 | 160.6 | 0 | 112 | S644 E645 R650 K651 E652 | S644-K648 WeakPolarHBondContact O-CG 3.25Å; S644-K648 PolarHBondContact O-N 3Å; E645-K648 PolarHBondContact O-N 3.5Å; E645-K648 IonicContact OE1-NZ 2.9Å; E645-K648 PolarHBondContact OE1-NZ 3.13Å; E645-K648 WeakPolarHBondContact OE2-CD 3.49Å; E645-K648 WeakPolarHBondContact OE2-CE 3.32Å; E645-K648 IonicContact OE2-NZ 3.96Å; E645-K648 PolarHBondContact OE2-NZ 3.3Å; K648-R650 VanDerWaalsContact C-N 3.33Å; K648-R650 PolarHBondContact O-N 2.93Å; K648-K651 CarbonylContact O-C 3.54Å; K648-K651 WeakPolarHBondContact O-CA 3.21Å; K648-K651 WeakPolarHBondContact O-CB 3.36Å; K648-K651 PolarHBondContact O-N 2.92Å; K648-E652 PolarHBondContact O-N 2.9Å |
| 649 | L | 72.5 | Confident | 70 | Confident | 26 Ų | 26 | 62.4 Ų | 62.4 | 14% | 0.136 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 178.8 | -73.9 | 170.2 | 0 | 0 | 0 | 111.9 | E645 K651 E652 L653 L673 L680 | E645-L649 WeakPolarHBondContact O-CB 3.49Å; E645-L649 WeakPolarHBondContact O-CG 3.36Å; E645-L649 PolarHBondContact O-N 3.41Å; L649-K651 VanDerWaalsContact C-N 3.33Å; L649-E652 PolarHBondContact O-N 3.08Å; L649-L653 WeakPolarHBondContact O-CB 3.37Å; L649-L653 WeakPolarHBondContact O-CG 3.23Å; L649-L653 PolarHBondContact O-N 2.8Å; L649-L673 HydrophobicContact CD2-CD2 4.18Å; L649-L680 HydrophobicContact CD1-CD2 3.85Å |
| 650 | R | 71.9 | Confident | 69.1 | Low | 112 Ų | 112 | 63 Ų | 63 | 42% | 0.423 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.7 | -37.5 | 171.9 | -77.5 | 175.4 | 179 | 147.9 | 3.6 | 112.3 | L646 K648 S654 | L646-R650 WeakPolarHBondContact O-CB 3.37Å; L646-R650 VanDerWaalsContact O-CG 3.29Å; L646-R650 WeakPolarHBondContact O-CG 3.44Å; L646-R650 PolarHBondContact O-N 2.89Å; K648-R650 VanDerWaalsContact C-N 3.33Å; K648-R650 PolarHBondContact O-N 2.93Å; R650-S654 WeakPolarHBondContact O-CB 3.33Å; R650-S654 PolarHBondContact O-N 3.4Å |
| 651 | K | 75.9 | Confident | 68 | Low | 132 Ų | 132 | 66.9 Ų | 66.9 | 57% | 0.574 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.7 | -49.7 | 174.6 | -167 | -168.6 | 172.1 | -157.8 | 0 | 111.4 | A647 K648 L649 L653 S654 D655 | A647-K651 WeakPolarHBondContact O-CB 3.24Å; A647-K651 PolarHBondContact O-N 3.44Å; K648-K651 CarbonylContact O-C 3.54Å; K648-K651 WeakPolarHBondContact O-CA 3.21Å; K648-K651 WeakPolarHBondContact O-CB 3.36Å; K648-K651 PolarHBondContact O-N 2.92Å; L649-K651 VanDerWaalsContact C-N 3.33Å; K651-L653 VanDerWaalsContact C-N 3.33Å; K651-L653 PolarHBondContact O-N 2.91Å; K651-S654 CarbonylContact O-C 3.53Å; K651-S654 WeakPolarHBondContact O-CA 3.36Å; K651-S654 WeakPolarHBondContact O-CB 3.29Å; K651-S654 PolarHBondContact O-N 3.45Å; K651-D655 VanDerWaalsContact CE-OD2 3.23Å; K651-D655 WeakPolarHBondContact CE-OD2 3.35Å; K651-D655 IonicContact NZ-OD2 2.6Å; K651-D655 PolarHBondContact O-N 3.39Å |
| 652 | E | 71.2 | Confident | 66.7 | Low | 84 Ų | 84 | 74.8 Ų | 74.8 | 39% | 0.393 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 178.8 | -76.9 | -158.4 | -148.9 | 0 | 0 | 112.7 | K648 L649 S654 D655 L656 R669 | K648-E652 PolarHBondContact O-N 2.9Å; L649-E652 PolarHBondContact O-N 3.08Å; E652-S654 VanDerWaalsContact C-N 3.3Å; E652-S654 PolarHBondContact O-N 3.17Å; E652-D655 PolarHBondContact O-N 2.89Å; E652-L656 VanDerWaalsContact O-CB 3.25Å; E652-L656 WeakPolarHBondContact O-CB 3.39Å; E652-L656 VanDerWaalsContact O-CG 3.26Å; E652-L656 WeakPolarHBondContact O-CG 3.36Å; E652-L656 PolarHBondContact O-N 3.49Å; E652-R669 IonicContact OE2-NH2 3.4Å; E652-R669 PolarHBondContact OE2-NH2 3.16Å; E652-R669 VanDerWaalsContact OE2-NH2 3.17Å |
| 653 | L | 64.6 | Low | 65.3 | Low | 23 Ų | 23 | 75.6 Ų | 75.6 | 12% | 0.12 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.9 | -31.9 | 171.4 | -80.7 | 165 | 0 | 0 | 0 | 112.6 | L649 K651 A657 Y670 L673 L677 | L649-L653 WeakPolarHBondContact O-CB 3.37Å; L649-L653 WeakPolarHBondContact O-CG 3.23Å; L649-L653 PolarHBondContact O-N 2.8Å; K651-L653 VanDerWaalsContact C-N 3.33Å; K651-L653 PolarHBondContact O-N 2.91Å; L653-A657 VanDerWaalsContact O-CB 3.25Å; L653-A657 WeakPolarHBondContact O-CB 3.42Å; L653-A657 PolarHBondContact O-N 2.76Å; L653-Y670 HydrophobicContact CD2-CD2 3.95Å; L653-Y670 HydrophobicContact CD2-CE2 3.98Å; L653-L673 HydrophobicContact CD2-CB 3.78Å; L653-L673 HydrophobicContact CG-CB 4.24Å; L653-L677 HydrophobicContact CD1-CB 4.11Å; L653-L677 HydrophobicContact CD1-CD2 3.75Å; L653-L677 HydrophobicContact CD1-CG 4.42Å |
| 654 | S | 71.8 | Confident | 63.9 | Low | 59 Ų | 59 | 79.6 Ų | 79.6 | 41% | 0.413 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -73.4 | -45.7 | 173.6 | -167.4 | 0 | 0 | 0 | 0 | 112 | R650 K651 E652 L656 A657 I658 | R650-S654 WeakPolarHBondContact O-CB 3.33Å; R650-S654 PolarHBondContact O-N 3.4Å; K651-S654 CarbonylContact O-C 3.53Å; K651-S654 WeakPolarHBondContact O-CA 3.36Å; K651-S654 WeakPolarHBondContact O-CB 3.29Å; K651-S654 PolarHBondContact O-N 3.45Å; E652-S654 VanDerWaalsContact C-N 3.3Å; E652-S654 PolarHBondContact O-N 3.17Å; S654-L656 VanDerWaalsContact C-N 3.25Å; S654-L656 PolarHBondContact O-N 2.95Å; S654-A657 PolarHBondContact O-N 3.48Å; S654-I658 WeakPolarHBondContact O-CD1 3.5Å; S654-I658 VanDerWaalsContact O-CG1 3.27Å; S654-I658 WeakPolarHBondContact O-CG1 3.45Å; S654-I658 PolarHBondContact O-N 3Å |
| 655 | D | 64.8 | Low | 62.9 | Low | 77 Ų | 77 | 84.9 Ų | 84.9 | 41% | 0.412 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63 | -34.8 | 177.6 | -67.2 | -12.4 | 0 | 0 | 0 | 110.2 | K651 E652 A659 | K651-D655 VanDerWaalsContact CE-OD2 3.23Å; K651-D655 WeakPolarHBondContact CE-OD2 3.35Å; K651-D655 IonicContact NZ-OD2 2.6Å; K651-D655 PolarHBondContact O-N 3.39Å; E652-D655 PolarHBondContact O-N 2.89Å; D655-A659 PolarHBondContact O-N 3.48Å |
| 656 | L | 65.9 | Low | 61.8 | Low | 47 Ų | 47 | 85.8 Ų | 85.8 | 25% | 0.246 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -73.5 | -37.7 | 171.3 | -76.1 | 168.2 | 0 | 0 | 0 | 113.6 | E652 S654 I658 A659 H660 L673 | E652-L656 VanDerWaalsContact O-CB 3.25Å; E652-L656 WeakPolarHBondContact O-CB 3.39Å; E652-L656 VanDerWaalsContact O-CG 3.26Å; E652-L656 WeakPolarHBondContact O-CG 3.36Å; E652-L656 PolarHBondContact O-N 3.49Å; S654-L656 VanDerWaalsContact C-N 3.25Å; S654-L656 PolarHBondContact O-N 2.95Å; L656-I658 VanDerWaalsContact C-N 3.26Å; L656-I658 PolarHBondContact O-N 2.95Å; L656-A659 PolarHBondContact O-N 3.01Å; L656-H660 WeakPolarHBondContact O-CB 3.45Å; L656-H660 PolarHBondContact O-N 3.46Å; L656-L673 HydrophobicContact CD1-CD1 3.45Å; L656-L673 VanDerWaalsContact CD1-CD1 3.45Å |
| 657 | A | 61.9 | Low | 61.1 | Low | 55 Ų | 55 | 89.1 Ų | 89.1 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.7 | -29.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L653 S654 | L653-A657 VanDerWaalsContact O-CB 3.25Å; L653-A657 WeakPolarHBondContact O-CB 3.42Å; L653-A657 PolarHBondContact O-N 2.76Å; S654-A657 PolarHBondContact O-N 3.48Å |
| 658 | I | 59.1 | Low | 60.4 | Low | 99 Ų | 99 | 90 Ų | 90 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -75 | -38.4 | 171.4 | -66.2 | 161.8 | 0 | 0 | 0 | 110.6 | S654 L656 H660 E661 | S654-I658 WeakPolarHBondContact O-CD1 3.5Å; S654-I658 VanDerWaalsContact O-CG1 3.27Å; S654-I658 WeakPolarHBondContact O-CG1 3.45Å; S654-I658 PolarHBondContact O-N 3Å; L656-I658 VanDerWaalsContact C-N 3.26Å; L656-I658 PolarHBondContact O-N 2.95Å; I658-H660 VanDerWaalsContact C-N 3.28Å; I658-H660 PolarHBondContact O-N 3.38Å; I658-E661 WeakPolarHBondContact O-CB 3.44Å; I658-E661 PolarHBondContact O-N 2.93Å; I658-E661 VanDerWaalsContact O-N 3.15Å |
| 659 | A | 55.4 | Low | 59.7 | Low | 63 Ų | 63 | 89.1 Ų | 89.1 | 52% | 0.521 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.4 | -34 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D655 L656 E661 Y662 | D655-A659 PolarHBondContact O-N 3.48Å; L656-A659 PolarHBondContact O-N 3.01Å; A659-E661 PolarHBondContact O-N 2.99Å; A659-Y662 PolarHBondContact O-N 3.45Å |
| 660 | H | 52.1 | Low | 59.2 | Low | 88 Ų | 88 | 91.2 Ų | 91.2 | 41% | 0.407 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -66.1 | -9.6 | 174.9 | -168.6 | -50.4 | 0 | 0 | 0 | 113.2 | L656 I658 Y662 G663 | L656-H660 WeakPolarHBondContact O-CB 3.45Å; L656-H660 PolarHBondContact O-N 3.46Å; I658-H660 VanDerWaalsContact C-N 3.28Å; I658-H660 PolarHBondContact O-N 3.38Å; H660-Y662 PolarHBondContact O-N 3.49Å; H660-Y662 VanDerWaalsContact O-N 3.14Å; H660-G663 PolarHBondContact O-N 3.45Å |
| 661 | E | 50.8 | Low | 58.8 | Low | 123 Ų | 123 | 89.7 Ų | 89.7 | 58% | 0.575 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -67.4 | -8.3 | 172.7 | -157.7 | 158.6 | -144.1 | 0 | 0 | 112.7 | I658 A659 | I658-E661 WeakPolarHBondContact O-CB 3.44Å; I658-E661 PolarHBondContact O-N 2.93Å; I658-E661 VanDerWaalsContact O-N 3.15Å; A659-E661 PolarHBondContact O-N 2.99Å |
| 662 | Y | 46.3 | Very low | 58.3 | Low | 193 Ų | 193 | 90.8 Ų | 90.8 | 76% | 0.757 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -104.9 | 32.3 | 176 | -70.5 | -88.8 | 0 | 0 | 0 | 114.9 | A659 H660 E664 | A659-Y662 PolarHBondContact O-N 3.45Å; H660-Y662 PolarHBondContact O-N 3.49Å; H660-Y662 VanDerWaalsContact O-N 3.14Å; Y662-E664 PolarHBondContact O-N 3.34Å |
| 663 | G | 46.5 | Very low | 58.2 | Low | 63 Ų | 63 | 87.6 Ų | 87.6 | 65% | 0.649 | 47% | 0.473 | S | S | * | . | trans | 82.7 | 12.5 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | H660 | H660-G663 PolarHBondContact O-N 3.45Š| ||
| 664 | E | 45.5 | Very low | 58.4 | Low | 165 Ų | 165 | 91.2 Ų | 91.2 | 77% | 0.771 | 49% | 0.488 | S | S | * | . | trans | -98.2 | 153.7 | 172.4 | -67.4 | -167.4 | 156.9 | 0 | 0 | 113.2 | Y662 | Y662-E664 PolarHBondContact O-N 3.34Š| ||
| 665 | E | 50.4 | Low | 58.6 | Low | 171 Ų | 171 | 94.5 Ų | 94.5 | 80% | 0.799 | 50% | 0.497 | S | S | * | . | trans | -56.6 | 155.8 | 178.7 | -92.8 | -75.2 | 118.6 | 0 | 0 | 113.1 | C667 | E665-C667 VanDerWaalsContact C-N 3.3Å; E665-C667 PolarHBondContact O-N 3.43Å | ||
| 666 | P | 52.2 | Low | 58.7 | Low | 60 Ų | 60 | 94.6 Ų | 94.6 | 39% | 0.39 | 50% | 0.495 | S | S | . | . | trans | -64.6 | 82.6 | 179.4 | -21.1 | 34.5 | 0 | 0 | 0 | 113.4 | G668 | P666-G668 PolarHBondContact O-N 3.18Š| ||
| 667 | C | 54.7 | Low | 59.1 | Low | 90 Ų | 90 | 94 Ų | 94 | 61% | 0.608 | 49% | 0.492 | S | S | * | . | trans | -45.6 | 136.5 | 175.7 | 170 | 0 | 0 | 0 | 0 | 110.7 | E665 R669 Y670 | E665-C667 VanDerWaalsContact C-N 3.3Å; E665-C667 PolarHBondContact O-N 3.43Å; C667-R669 PolarHBondContact O-N 3.41Å; C667-Y670 WeakPolarHBondContact O-CB 3.36Å; C667-Y670 PolarHBondContact O-N 2.92Å | ||
| 668 | G | 59.2 | Low | 59.6 | Low | 52 Ų | 52 | 95.2 Ų | 95.2 | 54% | 0.536 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -54.1 | -17.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115 | P666 T671 R672 | P666-G668 PolarHBondContact O-N 3.18Å; G668-T671 PolarHBondContact O-N 3.36Å; G668-R672 WeakPolarHBondContact O-CB 3.38Å; G668-R672 PolarHBondContact O-N 3.24Å |
| 669 | R | 60.3 | Low | 60.3 | Low | 89 Ų | 89 | 94.8 Ų | 94.8 | 34% | 0.336 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.2 | -43.1 | 167.5 | -170.5 | 170.7 | -174.1 | -109 | -19.2 | 112.8 | E652 C667 L673 | E652-R669 IonicContact OE2-NH2 3.4Å; E652-R669 PolarHBondContact OE2-NH2 3.16Å; E652-R669 VanDerWaalsContact OE2-NH2 3.17Å; C667-R669 PolarHBondContact O-N 3.41Å; R669-L673 HydrophobicContact CG-CD1 4.04Å; R669-L673 WeakPolarHBondContact O-CB 3.49Å; R669-L673 WeakPolarHBondContact O-CG 3.31Å; R669-L673 PolarHBondContact O-N 2.91Å |
| 670 | Y | 62.7 | Low | 61 | Low | 71 Ų | 71 | 94 Ų | 94 | 28% | 0.278 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64 | -49.3 | 175.9 | 177.3 | -93.6 | 0 | 0 | 0 | 111.2 | L653 C667 R672 L673 K674 | L653-Y670 HydrophobicContact CD2-CD2 3.95Å; L653-Y670 HydrophobicContact CD2-CE2 3.98Å; C667-Y670 WeakPolarHBondContact O-CB 3.36Å; C667-Y670 PolarHBondContact O-N 2.92Å; Y670-R672 VanDerWaalsContact C-N 3.32Å; Y670-R672 PolarHBondContact O-N 2.81Å; Y670-L673 PolarHBondContact O-N 3.39Å; Y670-K674 HydrophobicContact CE1-CD 3.99Å; Y670-K674 VanDerWaalsContact O-CB 3.31Å; Y670-K674 WeakPolarHBondContact O-CB 3.31Å; Y670-K674 PolarHBondContact O-N 3.01Å |
| 671 | T | 64.1 | Low | 62 | Low | 80 Ų | 80 | 92.8 Ų | 92.8 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 179 | -51.7 | 0 | 0 | 0 | 0 | 111.6 | G668 K674 Q675 | G668-T671 PolarHBondContact O-N 3.36Å; T671-K674 PolarHBondContact O-N 2.87Å; T671-Q675 WeakPolarHBondContact O-CB 3.38Å; T671-Q675 PolarHBondContact O-N 3.3Å |
| 672 | R | 66 | Low | 63.1 | Low | 154 Ų | 154 | 91.3 Ų | 91.3 | 58% | 0.581 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.8 | -46.8 | 176.6 | -163.4 | 176 | -163.2 | 166.7 | 5.8 | 112.3 | G668 Y670 K674 Q675 Q676 | G668-R672 WeakPolarHBondContact O-CB 3.38Å; G668-R672 PolarHBondContact O-N 3.24Å; Y670-R672 VanDerWaalsContact C-N 3.32Å; Y670-R672 PolarHBondContact O-N 2.81Å; R672-K674 PolarHBondContact O-N 2.93Å; R672-Q675 PolarHBondContact O-N 3.33Å; R672-Q676 WeakPolarHBondContact O-CB 3.31Å; R672-Q676 VanDerWaalsContact O-CG 3.31Å; R672-Q676 WeakPolarHBondContact O-CG 3.21Å; R672-Q676 PolarHBondContact O-N 3.18Å; R672-Q676 PolarHBondContact O-OE1 2.74Å |
| 673 | L | 67.4 | Low | 64.4 | Low | 17 Ų | 17 | 86.1 Ų | 86.1 | 9% | 0.089 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64.4 | -37.9 | 177 | -78.5 | 166.5 | 0 | 0 | 0 | 112.4 | L649 L653 L656 R669 Y670 Q676 L677 | L649-L673 HydrophobicContact CD2-CD2 4.18Å; L653-L673 HydrophobicContact CD2-CB 3.78Å; L653-L673 HydrophobicContact CG-CB 4.24Å; L656-L673 HydrophobicContact CD1-CD1 3.45Å; L656-L673 VanDerWaalsContact CD1-CD1 3.45Å; R669-L673 HydrophobicContact CG-CD1 4.04Å; R669-L673 WeakPolarHBondContact O-CB 3.49Å; R669-L673 WeakPolarHBondContact O-CG 3.31Å; R669-L673 PolarHBondContact O-N 2.91Å; Y670-L673 PolarHBondContact O-N 3.39Å; L673-Q676 PolarHBondContact O-N 2.99Å; L673-L677 WeakPolarHBondContact O-CB 3.36Å; L673-L677 PolarHBondContact O-N 3.38Å |
| 674 | K | 70.2 | Confident | 65.2 | Low | 100 Ų | 100 | 84.6 Ų | 84.6 | 44% | 0.435 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.2 | -47.5 | 175.4 | -176.1 | 177.3 | 176.2 | -177.1 | 0 | 111.4 | Y670 T671 R672 Q676 L677 D678 | Y670-K674 HydrophobicContact CE1-CD 3.99Å; Y670-K674 VanDerWaalsContact O-CB 3.31Å; Y670-K674 WeakPolarHBondContact O-CB 3.31Å; Y670-K674 PolarHBondContact O-N 3.01Å; T671-K674 PolarHBondContact O-N 2.87Å; R672-K674 PolarHBondContact O-N 2.93Å; K674-Q676 VanDerWaalsContact C-N 3.3Å; K674-Q676 PolarHBondContact O-N 3.12Å; K674-L677 WeakPolarHBondContact O-CB 3.29Å; K674-L677 PolarHBondContact O-N 2.91Å; K674-L677 VanDerWaalsContact O-N 3.08Å; K674-D678 PolarHBondContact O-N 3.04Å |
| 675 | Q | 74.4 | Confident | 66.1 | Low | 127 Ų | 127 | 81 Ų | 81 | 59% | 0.593 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.5 | -32.9 | 176.9 | -164.8 | 170.5 | 21.4 | 0 | 0 | 112.3 | T671 R672 N679 | T671-Q675 WeakPolarHBondContact O-CB 3.38Å; T671-Q675 PolarHBondContact O-N 3.3Å; R672-Q675 PolarHBondContact O-N 3.33Å; Q675-N679 WeakPolarHBondContact O-CB 3.45Å; Q675-N679 VanDerWaalsContact O-CG 3.23Å; Q675-N679 PolarHBondContact O-N 3.46Å; Q675-N679 PolarHBondContact O-ND2 2.98Å |
| 676 | Q | 67.9 | Low | 67 | Low | 79 Ų | 79 | 77.1 Ų | 77.1 | 37% | 0.369 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 169.1 | -75.3 | 174.6 | -57.1 | 0 | 0 | 112.3 | R672 L673 K674 N679 L680 | R672-Q676 WeakPolarHBondContact O-CB 3.31Å; R672-Q676 VanDerWaalsContact O-CG 3.31Å; R672-Q676 WeakPolarHBondContact O-CG 3.21Å; R672-Q676 PolarHBondContact O-N 3.18Å; R672-Q676 PolarHBondContact O-OE1 2.74Å; L673-Q676 PolarHBondContact O-N 2.99Å; K674-Q676 VanDerWaalsContact C-N 3.3Å; K674-Q676 PolarHBondContact O-N 3.12Å; Q676-N679 PolarHBondContact O-N 3.41Å; Q676-L680 WeakPolarHBondContact O-CB 3.4Å; Q676-L680 PolarHBondContact O-N 3.14Å |
| 677 | L | 73.3 | Confident | 67.4 | Low | 34 Ų | 34 | 77.5 Ų | 77.5 | 18% | 0.178 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 175.3 | -177.9 | 70.1 | 0 | 0 | 0 | 111.5 | L646 L653 L673 K674 L680 N681 | L646-L677 HydrophobicContact CD2-CD1 3.93Å; L653-L677 HydrophobicContact CD1-CB 4.11Å; L653-L677 HydrophobicContact CD1-CD2 3.75Å; L653-L677 HydrophobicContact CD1-CG 4.42Å; L673-L677 WeakPolarHBondContact O-CB 3.36Å; L673-L677 PolarHBondContact O-N 3.38Å; K674-L677 WeakPolarHBondContact O-CB 3.29Å; K674-L677 PolarHBondContact O-N 2.91Å; K674-L677 VanDerWaalsContact O-N 3.08Å; L677-L680 PolarHBondContact O-N 3.48Å; L677-N681 WeakPolarHBondContact O-CB 3.41Å; L677-N681 PolarHBondContact O-N 2.78Å |
| 678 | D | 73.6 | Confident | 67.6 | Low | 82 Ų | 82 | 82.1 Ų | 82.1 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 178.9 | -70.9 | -36.2 | 0 | 0 | 0 | 111.4 | K674 L680 N681 E682 | K674-D678 PolarHBondContact O-N 3.04Å; D678-L680 PolarHBondContact O-N 3.47Å; D678-N681 PolarHBondContact O-N 2.97Å; D678-E682 WeakPolarHBondContact O-CB 3.4Å; D678-E682 PolarHBondContact O-N 2.84Å |
| 679 | N | 74.4 | Confident | 67.5 | Low | 89 Ų | 89 | 86.1 Ų | 86.1 | 48% | 0.476 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.6 | -45.3 | 172.6 | -73.9 | -14.7 | 0 | 0 | 0 | 112.3 | Q675 Q676 N681 E682 I683 | Q675-N679 WeakPolarHBondContact O-CB 3.45Å; Q675-N679 VanDerWaalsContact O-CG 3.23Å; Q675-N679 PolarHBondContact O-N 3.46Å; Q675-N679 PolarHBondContact O-ND2 2.98Å; Q676-N679 PolarHBondContact O-N 3.41Å; N679-N681 VanDerWaalsContact C-N 3.34Å; N679-N681 PolarHBondContact O-N 3.42Å; N679-E682 PolarHBondContact O-N 3.5Å; N679-I683 WeakPolarHBondContact O-CG1 3.27Å; N679-I683 PolarHBondContact O-N 2.99Å |
| 680 | L | 69.5 | Low | 66.9 | Low | 47 Ų | 47 | 90.4 Ų | 90.4 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.8 | -34.6 | -179.5 | -148.3 | 78.6 | 0 | 0 | 0 | 112 | L646 L649 Q676 L677 D678 C684 | L646-L680 HydrophobicContact CD2-CD2 3.89Å; L646-L680 HydrophobicContact CG-CD2 4.08Å; L649-L680 HydrophobicContact CD1-CD2 3.85Å; Q676-L680 WeakPolarHBondContact O-CB 3.4Å; Q676-L680 PolarHBondContact O-N 3.14Å; L677-L680 PolarHBondContact O-N 3.48Å; D678-L680 PolarHBondContact O-N 3.47Å; L680-C684 WeakPolarHBondContact O-CB 3.35Å; L680-C684 PolarHBondContact O-N 3.38Å; L680-C684 PolarHBondContact O-SG 3.4Å |
| 681 | N | 72.7 | Confident | 66 | Low | 63 Ų | 63 | 89.8 Ų | 89.8 | 34% | 0.337 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 172.7 | -175.8 | 13.6 | 0 | 0 | 0 | 111.1 | L677 D678 N679 C684 Q685 | L677-N681 WeakPolarHBondContact O-CB 3.41Å; L677-N681 PolarHBondContact O-N 2.78Å; D678-N681 PolarHBondContact O-N 2.97Å; N679-N681 VanDerWaalsContact C-N 3.34Å; N679-N681 PolarHBondContact O-N 3.42Å; N681-C684 PolarHBondContact O-N 3.14Å; N681-Q685 WeakPolarHBondContact O-CB 3.2Å; N681-Q685 VanDerWaalsContact O-CG 3.3Å; N681-Q685 WeakPolarHBondContact O-CG 3.32Å; N681-Q685 PolarHBondContact O-N 2.92Å; N681-Q685 PolarHBondContact OD1-NE2 3.15Å |
| 682 | E | 73.9 | Confident | 64.9 | Low | 92 Ų | 92 | 90.3 Ų | 90.3 | 43% | 0.43 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 175 | -155 | -143.6 | 180 | 0 | 0 | 111.9 | D678 N679 Q685 K686 | D678-E682 WeakPolarHBondContact O-CB 3.4Å; D678-E682 PolarHBondContact O-N 2.84Å; N679-E682 PolarHBondContact O-N 3.5Å; E682-Q685 PolarHBondContact O-N 3.46Å; E682-K686 WeakPolarHBondContact O-CB 3.33Å; E682-K686 WeakPolarHBondContact O-CG 3.31Å; E682-K686 PolarHBondContact O-N 3.41Å; E682-K686 WeakPolarHBondContact OE1-CE 3.27Å; E682-K686 IonicContact OE1-NZ 3.31Å; E682-K686 PolarHBondContact OE1-NZ 3.28Å; E682-K686 WeakPolarHBondContact OE2-CE 3.48Å; E682-K686 IonicContact OE2-NZ 2.75Å; E682-K686 PolarHBondContact OE2-NZ 3.04Å |
| 683 | I | 72.7 | Confident | 63.6 | Low | 84 Ų | 84 | 88.4 Ų | 88.4 | 43% | 0.431 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.5 | -51.2 | 171.7 | -70.1 | 162.6 | 0 | 0 | 0 | 110.2 | N679 Q685 K686 T687 | N679-I683 WeakPolarHBondContact O-CG1 3.27Å; N679-I683 PolarHBondContact O-N 2.99Å; I683-Q685 VanDerWaalsContact C-N 3.25Å; I683-Q685 PolarHBondContact O-N 3.29Å; I683-K686 WeakPolarHBondContact O-CB 3.43Å; I683-K686 PolarHBondContact O-N 2.9Å; I683-K686 VanDerWaalsContact O-N 3.07Å; I683-T687 PolarHBondContact O-N 2.75Å; I683-T687 PolarHBondContact O-OG1 2.97Å; I683-T687 VanDerWaalsContact O-OG1 3.08Å |
| 684 | C | 64.3 | Low | 62.2 | Low | 30 Ų | 30 | 92.5 Ų | 92.5 | 20% | 0.203 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -60.8 | -33.5 | 178.3 | -69.9 | 0 | 0 | 0 | 0 | 112.8 | L680 N681 R688 | L680-C684 WeakPolarHBondContact O-CB 3.35Å; L680-C684 PolarHBondContact O-N 3.38Å; L680-C684 PolarHBondContact O-SG 3.4Å; N681-C684 PolarHBondContact O-N 3.14Å; C684-R688 VanDerWaalsContact O-CB 3.22Å; C684-R688 WeakPolarHBondContact O-CB 3.04Å; C684-R688 PolarHBondContact O-N 2.93Å |
| 685 | Q | 64.7 | Low | 60.6 | Low | 90 Ų | 90 | 91.5 Ų | 91.5 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.9 | -39 | 173.2 | -75.1 | 177.7 | 54.5 | 0 | 0 | 112.6 | N681 E682 I683 R688 K689 | N681-Q685 WeakPolarHBondContact O-CB 3.2Å; N681-Q685 VanDerWaalsContact O-CG 3.3Å; N681-Q685 WeakPolarHBondContact O-CG 3.32Å; N681-Q685 PolarHBondContact O-N 2.92Å; N681-Q685 PolarHBondContact OD1-NE2 3.15Å; E682-Q685 PolarHBondContact O-N 3.46Å; I683-Q685 VanDerWaalsContact C-N 3.25Å; I683-Q685 PolarHBondContact O-N 3.29Å; Q685-R688 PolarHBondContact O-N 3.19Å; Q685-K689 VanDerWaalsContact O-CG 3.29Å; Q685-K689 WeakPolarHBondContact O-CG 3.44Å; Q685-K689 PolarHBondContact O-N 3.32Å |
| 686 | K | 69.3 | Low | 58.5 | Low | 90 Ų | 90 | 89.2 Ų | 89.2 | 39% | 0.391 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.1 | -54.4 | 172.2 | -75.4 | 165.3 | 175.4 | 168.6 | 0 | 110.1 | E682 I683 R688 K689 Y690 | E682-K686 WeakPolarHBondContact O-CB 3.33Å; E682-K686 WeakPolarHBondContact O-CG 3.31Å; E682-K686 PolarHBondContact O-N 3.41Å; E682-K686 WeakPolarHBondContact OE1-CE 3.27Å; E682-K686 IonicContact OE1-NZ 3.31Å; E682-K686 PolarHBondContact OE1-NZ 3.28Å; E682-K686 WeakPolarHBondContact OE2-CE 3.48Å; E682-K686 IonicContact OE2-NZ 2.75Å; E682-K686 PolarHBondContact OE2-NZ 3.04Å; I683-K686 WeakPolarHBondContact O-CB 3.43Å; I683-K686 PolarHBondContact O-N 2.9Å; I683-K686 VanDerWaalsContact O-N 3.07Å; K686-R688 VanDerWaalsContact C-N 3.29Å; K686-R688 PolarHBondContact O-N 3.24Å; K686-K689 PolarHBondContact O-N 2.89Å; K686-K689 VanDerWaalsContact O-N 3.08Å; K686-Y690 HydrophobicContact CB-CE2 4.19Å; K686-Y690 WeakPolarHBondContact O-CD2 3.32Å; K686-Y690 PolarHBondContact O-N 2.94Å |
| 687 | T | 61.2 | Low | 57.1 | Low | 68 Ų | 68 | 91.7 Ų | 91.7 | 42% | 0.417 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.2 | -40.3 | 175.6 | -49.8 | 0 | 0 | 0 | 0 | 112.3 | I683 T691 | I683-T687 PolarHBondContact O-N 2.75Å; I683-T687 PolarHBondContact O-OG1 2.97Å; I683-T687 VanDerWaalsContact O-OG1 3.08Å; T687-T691 WeakPolarHBondContact O-CB 3.35Å; T687-T691 WeakPolarHBondContact O-CG2 3.34Å; T687-T691 PolarHBondContact O-N 2.81Å; T687-T691 PolarHBondContact O-OG1 3.5Å |
| 688 | R | 58.5 | Low | 55.3 | Low | 186 Ų | 186 | 95.7 Ų | 95.7 | 70% | 0.702 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.6 | -39.3 | 176.3 | -173.4 | 174.3 | -66.9 | -150.7 | -3.2 | 112.7 | C684 Q685 K686 T691 T692 | C684-R688 VanDerWaalsContact O-CB 3.22Å; C684-R688 WeakPolarHBondContact O-CB 3.04Å; C684-R688 PolarHBondContact O-N 2.93Å; Q685-R688 PolarHBondContact O-N 3.19Å; K686-R688 VanDerWaalsContact C-N 3.29Å; K686-R688 PolarHBondContact O-N 3.24Å; R688-T691 WeakPolarHBondContact CA-OG1 3.44Å; R688-T691 PolarHBondContact O-OG1 3.47Å; R688-T692 WeakPolarHBondContact O-CB 3.41Å; R688-T692 PolarHBondContact O-N 3.41Å; R688-T692 PolarHBondContact O-OG1 3.17Å |
| 689 | K | 56.1 | Low | 53.4 | Low | 136 Ų | 136 | 95.6 Ų | 95.6 | 59% | 0.591 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.6 | -53.6 | 175.8 | -74.4 | 169.5 | -176.6 | 178.1 | 0 | 110.4 | Q685 K686 T691 T692 T693 | Q685-K689 VanDerWaalsContact O-CG 3.29Å; Q685-K689 WeakPolarHBondContact O-CG 3.44Å; Q685-K689 PolarHBondContact O-N 3.32Å; K686-K689 PolarHBondContact O-N 2.89Å; K686-K689 VanDerWaalsContact O-N 3.08Å; K689-T691 VanDerWaalsContact C-N 3.27Å; K689-T691 PolarHBondContact O-N 3.43Å; K689-T692 PolarHBondContact O-N 2.89Å; K689-T692 VanDerWaalsContact O-N 3.09Å; K689-T693 PolarHBondContact O-N 2.9Å; K689-T693 PolarHBondContact O-OG1 3.45Å; K689-T693 VanDerWaalsContact O-OG1 3.07Å |
| 690 | Y | 47.2 | Very low | 51.7 | Low | 179 Ų | 179 | 97.9 Ų | 97.9 | 70% | 0.702 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61 | -32.4 | 179.5 | -62.8 | -59.9 | 0 | 0 | 0 | 113.6 | K686 | K686-Y690 HydrophobicContact CB-CE2 4.19Å; K686-Y690 WeakPolarHBondContact O-CD2 3.32Å; K686-Y690 PolarHBondContact O-N 2.94Å |
| 691 | T | 45.1 | Very low | 50.1 | Low | 59 Ų | 59 | 100.1 Ų | 100.1 | 36% | 0.362 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -83.9 | -6.2 | 177.5 | 52 | 0 | 0 | 0 | 0 | 115.3 | T687 R688 K689 | T687-T691 WeakPolarHBondContact O-CB 3.35Å; T687-T691 WeakPolarHBondContact O-CG2 3.34Å; T687-T691 PolarHBondContact O-N 2.81Å; T687-T691 PolarHBondContact O-OG1 3.5Å; R688-T691 WeakPolarHBondContact CA-OG1 3.44Å; R688-T691 PolarHBondContact O-OG1 3.47Å; K689-T691 VanDerWaalsContact C-N 3.27Å; K689-T691 PolarHBondContact O-N 3.43Å |
| 692 | T | 39.8 | Very low | 48.4 | Very low | 90 Ų | 90 | 102.7 Ų | 102.7 | 55% | 0.552 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -99.6 | -32.8 | 176.5 | -50.3 | 0 | 0 | 0 | 0 | 112.1 | R688 K689 S694 | R688-T692 WeakPolarHBondContact O-CB 3.41Å; R688-T692 PolarHBondContact O-N 3.41Å; R688-T692 PolarHBondContact O-OG1 3.17Å; K689-T692 PolarHBondContact O-N 2.89Å; K689-T692 VanDerWaalsContact O-N 3.09Å; T692-S694 VanDerWaalsContact C-N 3.29Å; T692-S694 PolarHBondContact O-N 2.97Å |
| 693 | T | 40.5 | Very low | 46.7 | Very low | 114 Ų | 114 | 104.4 Ų | 104.4 | 70% | 0.699 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -18.4 | -175 | -47 | 0 | 0 | 0 | 0 | 114.2 | K689 | K689-T693 PolarHBondContact O-N 2.9Å; K689-T693 PolarHBondContact O-OG1 3.45Å; K689-T693 VanDerWaalsContact O-OG1 3.07Å |
| 694 | S | 37.9 | Very low | 45 | Very low | 104 Ų | 104 | 105.2 Ų | 105.2 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | 7.5 | -177.9 | 52.7 | 0 | 0 | 0 | 0 | 115.2 | T692 | T692-S694 VanDerWaalsContact C-N 3.29Å; T692-S694 PolarHBondContact O-N 2.97Å |
| 695 | A | 35 | Very low | 43.7 | Very low | 78 Ų | 78 | 108.2 Ų | 108.2 | 65% | 0.645 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -122.4 | 16.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 696 | S | 30.3 | Very low | 42.4 | Very low | 79 Ų | 79 | 113 Ų | 113 | 55% | 0.552 | 68% | 0.682 | S | S | * | * | trans | -136.8 | 96.9 | -174.5 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | T698 | S696-T698 PolarHBondContact O-N 3.11Å; S696-T698 VanDerWaalsContact O-N 3.17Å | ||
| 697 | P | 38.4 | Very low | 41.1 | Very low | 132 Ų | 132 | 115.9 Ų | 115.9 | 86% | 0.857 | 71% | 0.707 | S | S | * | * | trans | -76.9 | 94.3 | 163.7 | 31.1 | -31.4 | 0 | 0 | 0 | 109.5 | A699 | P697-A699 PolarHBondContact O-N 3.27Š| ||
| 698 | T | 35.9 | Very low | 40.2 | Very low | 118 Ų | 118 | 116.8 Ų | 116.8 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 123.5 | 178 | -46.9 | 0 | 0 | 0 | 0 | 110.2 | S696 V700 | S696-T698 PolarHBondContact O-N 3.11Å; S696-T698 VanDerWaalsContact O-N 3.17Å; T698-V700 PolarHBondContact O-N 2.92Å |
| 699 | A | 33.5 | Very low | 39.9 | Very low | 79 Ų | 79 | 113.6 Ų | 113.6 | 65% | 0.653 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 121.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | P697 | P697-A699 PolarHBondContact O-N 3.27Š|
| 700 | V | 38.2 | Very low | 39.7 | Very low | 138 Ų | 138 | 112.8 Ų | 112.8 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 123.5 | 174.8 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | T698 | T698-V700 PolarHBondContact O-N 2.92Š|
| 701 | A | 38 | Very low | 39.6 | Very low | 93 Ų | 93 | 108.5 Ų | 108.5 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 125.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 702 | S | 35.1 | Very low | 39.8 | Very low | 118 Ų | 118 | 111.3 Ų | 111.3 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 133.9 | -179.5 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 703 | P | 38.2 | Very low | 40.1 | Very low | 127 Ų | 127 | 112.7 Ų | 112.7 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 156.7 | 174.2 | 35.9 | -34.4 | 0 | 0 | 0 | 112.7 | ||
| 704 | A | 37.8 | Very low | 40.3 | Very low | 101 Ų | 101 | 113.3 Ų | 113.3 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | -152.2 | 161.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 705 | A | 38 | Very low | 40.4 | Very low | 94 Ų | 94 | 113.3 Ų | 113.3 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | 66.8 | 78.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 706 | Q | 35.5 | Very low | 40.7 | Very low | 190 Ų | 190 | 114.1 Ų | 114.1 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | 22.7 | 129.3 | 124.4 | -57 | 172.5 | 0.6 | 0 | 0 | 120.3 | |||||
| 707 | V | 43.6 | Very low | 41 | Very low | 151 Ų | 151 | 119 Ų | 119 | 92% | 0.915 | 80% | 0.801 | S | S | * | * | -176 | 163.4 | 113.2 | 149.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 708 | A | 41.6 | Very low | 41.2 | Very low | 86 Ų | 86 | 119.9 Ų | 119.9 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | -91.3 | 162.7 | -156.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 709 | P | 51.6 | Low | 41.3 | Very low | 120 Ų | 120 | 118 Ų | 118 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -97.1 | -158.2 | 179.3 | 45.1 | -36.7 | 0 | 0 | 0 | 110.4 | ||||
| 710 | P | 52 | Low | 41.6 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | cis | -151.1 | -174.3 | 29.7 | 41.3 | -16.6 | 0 | 0 | 0 | 120.7 | ||||
| 711 | A | 45.6 | Very low | 41.7 | Very low | 90 Ų | 90 | 119.8 Ų | 119.8 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | 94.2 | 161.1 | 142.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 712 | P | 49.8 | Very low | 41.4 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | -142.2 | -176.7 | -120.5 | 39.9 | -17.9 | 0 | 0 | 0 | 116.9 | |||||
| 713 | S | 45.5 | Very low | 41 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 179.6 | 161.6 | 135.2 | -82 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 714 | P | 45.2 | Very low | 40.8 | Very low | 127 Ų | 127 | 118.9 Ų | 118.9 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -132.5 | 159.9 | -162.9 | 41.5 | -24.8 | 0 | 0 | 0 | 118.5 | ||||
| 715 | A | 40 | Very low | 40.4 | Very low | 104 Ų | 104 | 123 Ų | 123 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -169 | 149.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 716 | A | 40.8 | Very low | 40.3 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | cis | -153.6 | 171.4 | -12.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 717 | H | 36.6 | Very low | 40.1 | Very low | 182 Ų | 182 | 123.7 Ų | 123.7 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -63.1 | 153.7 | -168 | -52.4 | -99.7 | 0 | 0 | 0 | 118.6 | ||||
| 718 | V | 43.4 | Very low | 40.2 | Very low | 150 Ų | 150 | 120.6 Ų | 120.6 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | -149.9 | 149.7 | 112.4 | 174.8 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 719 | A | 37.7 | Very low | 40.4 | Very low | 78 Ų | 78 | 122.4 Ų | 122.4 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | trans | -116.5 | 158.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 720 | T | 38.3 | Very low | 39.8 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | 169.1 | 173.1 | 87.4 | 43.6 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 721 | P | 40.5 | Very low | 39.4 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | -130.6 | 155.5 | -53.6 | 38.4 | -23.2 | 0 | 0 | 0 | 115.7 | |||||
| 722 | S | 32.3 | Very low | 39.8 | Very low | 117 Ų | 117 | 122.8 Ų | 122.8 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -18.1 | 135.1 | 164.8 | -179.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 723 | C | 27.2 | Very low | 39.7 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 89% | 0.885 | 74% | 0.737 | S | S | * | * | -174.6 | 155.2 | 129.1 | -163.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 724 | A | 33.6 | Very low | 40.2 | Very low | 71 Ų | 71 | 120 Ų | 120 | 59% | 0.587 | 72% | 0.718 | S | S | * | * | -152.8 | 147.6 | -70.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 725 | Q | 30.1 | Very low | 40.4 | Very low | 189 Ų | 189 | 119.1 Ų | 119.1 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | trans | 36.8 | 105.4 | 156.5 | -63.8 | 175.2 | -41.2 | 0 | 0 | 121.2 | ||||
| 726 | E | 34.4 | Very low | 40.6 | Very low | 129 Ų | 129 | 123.8 Ų | 123.8 | 60% | 0.603 | 70% | 0.698 | S | S | * | * | trans | -155.9 | 75 | 150.2 | -101.5 | -61.4 | 152.8 | 0 | 0 | 110.8 | K729 | E726-K729 IonicContact OE1-NZ 2.79Å; E726-K729 PolarHBondContact OE1-NZ 3.33Å; E726-K729 WeakPolarHBondContact OE2-CD 3.43Å; E726-K729 WeakPolarHBondContact OE2-CE 3.49Å; E726-K729 IonicContact OE2-NZ 3.17Å; E726-K729 PolarHBondContact OE2-NZ 3.35Å | ||
| 727 | L | 31.7 | Very low | 40.6 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 88% | 0.88 | 70% | 0.698 | S | S | * | * | trans | -142.8 | 97.1 | 166.4 | -94.8 | 104.5 | 0 | 0 | 0 | 108.5 | ||||
| 728 | P | 46.6 | Very low | 41 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 57% | 0.565 | 69% | 0.688 | S | S | * | * | S | Bend | -143.3 | 7.3 | 116.4 | 39.1 | -27.2 | 0 | 0 | 0 | 114.4 | L730 | P728-L730 PolarHBondContact O-N 2.92Š| |
| 729 | K | 45.9 | Very low | 40.7 | Very low | 124 Ų | 124 | 124.2 Ų | 124.2 | 54% | 0.539 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -75.1 | -18.9 | -168.1 | -68.8 | 172.3 | -173.3 | 150.3 | 0 | 115.1 | E726 L733 | E726-K729 IonicContact OE1-NZ 2.79Å; E726-K729 PolarHBondContact OE1-NZ 3.33Å; E726-K729 WeakPolarHBondContact OE2-CD 3.43Å; E726-K729 WeakPolarHBondContact OE2-CE 3.49Å; E726-K729 IonicContact OE2-NZ 3.17Å; E726-K729 PolarHBondContact OE2-NZ 3.35Å; K729-L733 PolarHBondContact O-N 3.16Å |
| 730 | L | 38.5 | Very low | 40.5 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 71% | 0.707 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -76.8 | -43.2 | -175.3 | -147.3 | 76.2 | 0 | 0 | 0 | 112.4 | P728 V732 L733 V734 | P728-L730 PolarHBondContact O-N 2.92Å; L730-V732 VanDerWaalsContact C-N 3.3Å; L730-V732 PolarHBondContact O-N 3.34Å; L730-L733 PolarHBondContact O-N 2.83Å; L730-L733 VanDerWaalsContact O-N 3.15Å; L730-V734 PolarHBondContact O-N 2.79Å; L730-V734 VanDerWaalsContact O-N 3.09Å |
| 731 | D | 43.4 | Very low | 40.5 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 56% | 0.561 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -62.5 | -37.8 | 176.8 | -65.3 | -60.5 | 0 | 0 | 0 | 111.8 | L733 V734 Q735 | D731-L733 VanDerWaalsContact C-N 3.28Å; D731-L733 PolarHBondContact O-N 2.9Å; D731-V734 PolarHBondContact O-N 3.41Å; D731-V734 VanDerWaalsContact O-N 3.14Å; D731-Q735 PolarHBondContact O-N 3.43Å |
| 732 | V | 54.7 | Low | 40.5 | Very low | 96 Ų | 96 | 125.7 Ų | 125.7 | 58% | 0.582 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -58.9 | -39.6 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | L730 R736 | L730-V732 VanDerWaalsContact C-N 3.3Å; L730-V732 PolarHBondContact O-N 3.34Å; V732-R736 VanDerWaalsContact O-CB 3.31Å; V732-R736 WeakPolarHBondContact O-CB 3.43Å; V732-R736 PolarHBondContact O-N 2.71Å |
| 733 | L | 48.4 | Very low | 40.9 | Very low | 108 Ų | 108 | 127.8 Ų | 127.8 | 57% | 0.565 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -72.3 | -34.1 | 176.5 | -71.2 | 169.9 | 0 | 0 | 0 | 112.6 | K729 L730 D731 R736 L737 | K729-L733 PolarHBondContact O-N 3.16Å; L730-L733 PolarHBondContact O-N 2.83Å; L730-L733 VanDerWaalsContact O-N 3.15Å; D731-L733 VanDerWaalsContact C-N 3.28Å; D731-L733 PolarHBondContact O-N 2.9Å; L733-R736 PolarHBondContact O-N 2.8Å; L733-L737 PolarHBondContact O-N 2.81Å |
| 734 | V | 54.9 | Low | 41.6 | Very low | 69 Ų | 69 | 123 Ų | 123 | 42% | 0.418 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.7 | -43.2 | 173.8 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | L730 D731 L737 Q738 | L730-V734 PolarHBondContact O-N 2.79Å; L730-V734 VanDerWaalsContact O-N 3.09Å; D731-V734 PolarHBondContact O-N 3.41Å; D731-V734 VanDerWaalsContact O-N 3.14Å; V734-L737 PolarHBondContact O-N 2.6Å; V734-Q738 WeakPolarHBondContact O-CG 3.4Å |
| 735 | Q | 48.6 | Very low | 42.1 | Very low | 108 Ų | 108 | 124.4 Ų | 124.4 | 51% | 0.505 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -61.7 | -41.3 | 171.5 | -104.9 | 79.6 | 89.9 | 0 | 0 | 112 | D731 L737 Q738 | D731-Q735 PolarHBondContact O-N 3.43Å; Q735-L737 PolarHBondContact O-N 2.92Å; Q735-Q738 PolarHBondContact O-N 3.46Å; Q735-Q738 VanDerWaalsContact O-N 3.1Å |
| 736 | R | 44.4 | Very low | 42.8 | Very low | 203 Ų | 203 | 121.9 Ų | 121.9 | 77% | 0.766 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60.1 | -33.8 | 179.4 | -162.4 | 74.8 | 167.1 | -160.6 | -2.1 | 112.5 | V732 L733 Q738 | V732-R736 VanDerWaalsContact O-CB 3.31Å; V732-R736 WeakPolarHBondContact O-CB 3.43Å; V732-R736 PolarHBondContact O-N 2.71Å; L733-R736 PolarHBondContact O-N 2.8Å; R736-Q738 VanDerWaalsContact C-N 3.3Å; R736-Q738 PolarHBondContact O-N 3.43Å |
| 737 | L | 41.8 | Very low | 43.8 | Very low | 153 Ų | 153 | 122.5 Ų | 122.5 | 80% | 0.801 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -7.8 | 178.3 | -81.3 | 164.5 | 0 | 0 | 0 | 114.5 | L733 V734 Q735 | L733-L737 PolarHBondContact O-N 2.81Å; V734-L737 PolarHBondContact O-N 2.6Å; Q735-L737 PolarHBondContact O-N 2.92Å |
| 738 | Q | 43.8 | Very low | 45 | Very low | 132 Ų | 132 | 118.5 Ų | 118.5 | 62% | 0.617 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -3.5 | -176.2 | -70.1 | 173.4 | -23.7 | 0 | 0 | 113.5 | V734 Q735 R736 | V734-Q738 WeakPolarHBondContact O-CG 3.4Å; Q735-Q738 PolarHBondContact O-N 3.46Å; Q735-Q738 VanDerWaalsContact O-N 3.1Å; R736-Q738 VanDerWaalsContact C-N 3.3Å; R736-Q738 PolarHBondContact O-N 3.43Å |
| 739 | L | 37.8 | Very low | 45.5 | Very low | 152 Ų | 152 | 118.1 Ų | 118.1 | 80% | 0.796 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -142.6 | 46.4 | -169.3 | -75.8 | 172 | 0 | 0 | 0 | 114.5 | ||
| 740 | D | 33.9 | Very low | 46.6 | Very low | 105 Ų | 105 | 116.3 Ų | 116.3 | 56% | 0.561 | 61% | 0.608 | S | S | * | * | trans | -154.1 | 127.2 | 151.3 | -172.6 | 32.7 | 0 | 0 | 0 | 111.4 | G744 | D740-G744 PolarHBondContact OD2-N 2.95Š| ||
| 741 | Q | 37.5 | Very low | 48.2 | Very low | 202 Ų | 202 | 113.3 Ų | 113.3 | 94% | 0.944 | 60% | 0.595 | S | S | * | * | trans | -113 | 99.6 | 173.1 | -76.3 | -168.4 | 25.4 | 0 | 0 | 110.1 | ||||
| 742 | G | 41.7 | Very low | 49.5 | Very low | 55 Ų | 55 | 113 Ų | 113 | 57% | 0.567 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 142.4 | -39 | 156.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 743 | Q | 39.9 | Very low | 50.4 | Low | 162 Ų | 162 | 112.8 Ų | 112.8 | 76% | 0.757 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -110.7 | -40.9 | -169.2 | -67.2 | -170.4 | -15.6 | 0 | 0 | 114.1 | T745 Q746 | Q743-T745 PolarHBondContact O-N 3.22Å; Q743-T745 VanDerWaalsContact O-N 3.15Å; Q743-Q746 PolarHBondContact O-N 3.35Å |
| 744 | G | 42 | Very low | 51.7 | Low | 30 Ų | 30 | 114 Ų | 114 | 31% | 0.309 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.4 | -25.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | D740 T748 | D740-G744 PolarHBondContact OD2-N 2.95Å; G744-T748 WeakPolarHBondContact O-CB 3.46Å; G744-T748 PolarHBondContact O-N 3.43Å; G744-T748 VanDerWaalsContact O-N 3.14Å; G744-T748 PolarHBondContact O-OG1 3.13Å |
| 745 | T | 45 | Very low | 52.6 | Low | 100 Ų | 100 | 115.1 Ų | 115.1 | 61% | 0.613 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -69.4 | -34.8 | 179.6 | 46 | 0 | 0 | 0 | 0 | 113.5 | Q743 L749 | Q743-T745 PolarHBondContact O-N 3.22Å; Q743-T745 VanDerWaalsContact O-N 3.15Å; T745-L749 PolarHBondContact O-N 3.42Å |
| 746 | Q | 45.1 | Very low | 53.3 | Low | 136 Ų | 136 | 113.6 Ų | 113.6 | 64% | 0.636 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.6 | -48.3 | 179.8 | -175.7 | 163 | 67.9 | 0 | 0 | 111 | Q743 T748 L749 D750 | Q743-Q746 PolarHBondContact O-N 3.35Å; Q746-T748 VanDerWaalsContact C-N 3.26Å; Q746-T748 PolarHBondContact O-N 2.82Å; Q746-L749 WeakPolarHBondContact O-CA 3.42Å; Q746-L749 WeakPolarHBondContact O-CB 3.24Å; Q746-L749 PolarHBondContact O-N 2.86Å; Q746-D750 PolarHBondContact O-N 3.26Å |
| 747 | Q | 53.5 | Low | 54.6 | Low | 143 Ų | 143 | 107.5 Ų | 107.5 | 67% | 0.668 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -57.8 | -40 | 174.2 | -69.5 | -175.2 | -11.7 | 0 | 0 | 112.1 | L749 D750 T751 | Q747-L749 VanDerWaalsContact C-N 3.32Å; Q747-L749 PolarHBondContact O-N 2.87Å; Q747-D750 PolarHBondContact O-N 3.22Å; Q747-T751 PolarHBondContact O-N 3Å; Q747-T751 PolarHBondContact O-OG1 3Å |
| 748 | T | 56.9 | Low | 56.2 | Low | 84 Ų | 84 | 103.5 Ų | 103.5 | 52% | 0.515 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.7 | -37.2 | 175.5 | -55.8 | 0 | 0 | 0 | 0 | 112 | G744 Q746 L752 | G744-T748 WeakPolarHBondContact O-CB 3.46Å; G744-T748 PolarHBondContact O-N 3.43Å; G744-T748 VanDerWaalsContact O-N 3.14Å; G744-T748 PolarHBondContact O-OG1 3.13Å; Q746-T748 VanDerWaalsContact C-N 3.26Å; Q746-T748 PolarHBondContact O-N 2.82Å; T748-L752 HydrophobicContact CG2-CD1 4.16Å; T748-L752 WeakPolarHBondContact O-CB 3.21Å; T748-L752 WeakPolarHBondContact O-CD1 3.49Å; T748-L752 VanDerWaalsContact O-CG 3.29Å; T748-L752 WeakPolarHBondContact O-CG 3.38Å; T748-L752 PolarHBondContact O-N 3.11Å; T748-L752 VanDerWaalsContact O-N 3.08Å |
| 749 | L | 58.7 | Low | 57.4 | Low | 79 Ų | 79 | 104.3 Ų | 104.3 | 41% | 0.414 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.2 | -44.8 | 175.4 | -166.9 | 78.8 | 0 | 0 | 0 | 111.3 | T745 Q746 Q747 L752 I753 | T745-L749 PolarHBondContact O-N 3.42Å; Q746-L749 WeakPolarHBondContact O-CA 3.42Å; Q746-L749 WeakPolarHBondContact O-CB 3.24Å; Q746-L749 PolarHBondContact O-N 2.86Å; Q747-L749 VanDerWaalsContact C-N 3.32Å; Q747-L749 PolarHBondContact O-N 2.87Å; L749-L752 PolarHBondContact O-N 2.86Å; L749-I753 HydrophobicContact CD2-CD1 4.37Å; L749-I753 HydrophobicContact CG-CD1 4.09Å; L749-I753 VanDerWaalsContact O-CG1 3.29Å; L749-I753 WeakPolarHBondContact O-CG1 3.35Å; L749-I753 PolarHBondContact O-N 3.43Å |
| 750 | D | 68.9 | Low | 58.9 | Low | 86 Ų | 86 | 99.8 Ų | 99.8 | 46% | 0.46 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | -179.4 | -63.6 | -34.2 | 0 | 0 | 0 | 111.3 | Q746 Q747 L752 I753 E754 | Q746-D750 PolarHBondContact O-N 3.26Å; Q747-D750 PolarHBondContact O-N 3.22Å; D750-L752 PolarHBondContact O-N 2.99Å; D750-I753 PolarHBondContact O-N 2.94Å; D750-E754 PolarHBondContact O-N 3.38Å |
| 751 | T | 71.4 | Confident | 60.8 | Low | 72 Ų | 72 | 100.1 Ų | 100.1 | 44% | 0.442 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 171.6 | -53.8 | 0 | 0 | 0 | 0 | 111.9 | Q747 I753 E754 E755 | Q747-T751 PolarHBondContact O-N 3Å; Q747-T751 PolarHBondContact O-OG1 3Å; T751-I753 VanDerWaalsContact C-N 3.3Å; T751-I753 PolarHBondContact O-N 3.3Å; T751-E754 PolarHBondContact O-N 3.3Å; T751-E755 WeakPolarHBondContact O-CB 3.44Å; T751-E755 WeakPolarHBondContact O-CG 3.33Å; T751-E755 PolarHBondContact O-N 3.27Å |
| 752 | L | 71.1 | Confident | 62.4 | Low | 98 Ų | 98 | 94 Ų | 94 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -30.5 | 176 | -79.1 | 167.4 | 0 | 0 | 0 | 112.9 | T748 L749 D750 S756 | T748-L752 HydrophobicContact CG2-CD1 4.16Å; T748-L752 WeakPolarHBondContact O-CB 3.21Å; T748-L752 WeakPolarHBondContact O-CD1 3.49Å; T748-L752 VanDerWaalsContact O-CG 3.29Å; T748-L752 WeakPolarHBondContact O-CG 3.38Å; T748-L752 PolarHBondContact O-N 3.11Å; T748-L752 VanDerWaalsContact O-N 3.08Å; L749-L752 PolarHBondContact O-N 2.86Å; D750-L752 PolarHBondContact O-N 2.99Å; L752-S756 WeakPolarHBondContact O-CB 3.49Å; L752-S756 PolarHBondContact O-N 3.2Å |
| 753 | I | 74.2 | Confident | 63.6 | Low | 91 Ų | 91 | 94.1 Ų | 94.1 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.3 | -47.3 | 172.8 | -70.9 | 163 | 0 | 0 | 0 | 109.9 | L749 D750 T751 S756 T757 | L749-I753 HydrophobicContact CD2-CD1 4.37Å; L749-I753 HydrophobicContact CG-CD1 4.09Å; L749-I753 VanDerWaalsContact O-CG1 3.29Å; L749-I753 WeakPolarHBondContact O-CG1 3.35Å; L749-I753 PolarHBondContact O-N 3.43Å; D750-I753 PolarHBondContact O-N 2.94Å; T751-I753 VanDerWaalsContact C-N 3.3Å; T751-I753 PolarHBondContact O-N 3.3Å; I753-S756 CarbonylContact O-C 3.55Å; I753-S756 PolarHBondContact O-N 2.94Å; I753-S756 VanDerWaalsContact O-N 3.15Å; I753-T757 PolarHBondContact O-N 3.47Å; I753-T757 PolarHBondContact O-OG1 2.82Å |
| 754 | E | 75.3 | Confident | 65.1 | Low | 135 Ų | 135 | 89 Ų | 89 | 63% | 0.631 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.3 | -48.2 | 179.9 | -168.7 | 167.7 | -145 | 0 | 0 | 111.4 | D750 T751 S756 T757 T758 | D750-E754 PolarHBondContact O-N 3.38Å; T751-E754 PolarHBondContact O-N 3.3Å; E754-S756 VanDerWaalsContact C-N 3.33Å; E754-S756 PolarHBondContact O-N 3.29Å; E754-T757 WeakPolarHBondContact CA-OG1 3.37Å; E754-T757 PolarHBondContact O-N 3.49Å; E754-T757 VanDerWaalsContact O-N 3.15Å; E754-T757 PolarHBondContact O-OG1 2.85Å; E754-T758 PolarHBondContact O-N 2.73Å; E754-T758 PolarHBondContact O-OG1 2.89Å; E754-T758 VanDerWaalsContact O-OG1 3.05Å |
| 755 | E | 72.8 | Confident | 66.8 | Low | 91 Ų | 91 | 91.6 Ų | 91.6 | 43% | 0.425 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -55.5 | -46.1 | 170.2 | -75.4 | -173.4 | -176.7 | 0 | 0 | 111.5 | T751 T757 T758 Y759 | T751-E755 WeakPolarHBondContact O-CB 3.44Å; T751-E755 WeakPolarHBondContact O-CG 3.33Å; T751-E755 PolarHBondContact O-N 3.27Å; E755-T757 VanDerWaalsContact C-N 3.3Å; E755-T757 PolarHBondContact O-N 2.82Å; E755-T758 PolarHBondContact O-N 3.05Å; E755-Y759 HydrophobicContact CB-CD2 4.44Å; E755-Y759 HydrophobicContact CB-CE2 4.06Å; E755-Y759 WeakPolarHBondContact O-CD2 3.46Å; E755-Y759 PolarHBondContact O-N 3.45Å |
| 756 | S | 64.6 | Low | 68.2 | Low | 76 Ų | 76 | 91.8 Ų | 91.8 | 53% | 0.531 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.8 | -31.7 | 179 | -173 | 0 | 0 | 0 | 0 | 113 | L752 I753 E754 A760 | L752-S756 WeakPolarHBondContact O-CB 3.49Å; L752-S756 PolarHBondContact O-N 3.2Å; I753-S756 CarbonylContact O-C 3.55Å; I753-S756 PolarHBondContact O-N 2.94Å; I753-S756 VanDerWaalsContact O-N 3.15Å; E754-S756 VanDerWaalsContact C-N 3.33Å; E754-S756 PolarHBondContact O-N 3.29Å; S756-A760 WeakPolarHBondContact O-CB 3.22Å; S756-A760 PolarHBondContact O-N 2.91Å; S756-A760 VanDerWaalsContact O-N 3.12Å |
| 757 | T | 71.3 | Confident | 68.9 | Low | 76 Ų | 76 | 90.2 Ų | 90.2 | 47% | 0.466 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.5 | -41.1 | 172.4 | 47.1 | 0 | 0 | 0 | 0 | 111.7 | I753 E754 E755 Y759 A760 E761 | I753-T757 PolarHBondContact O-N 3.47Å; I753-T757 PolarHBondContact O-OG1 2.82Å; E754-T757 WeakPolarHBondContact CA-OG1 3.37Å; E754-T757 PolarHBondContact O-N 3.49Å; E754-T757 VanDerWaalsContact O-N 3.15Å; E754-T757 PolarHBondContact O-OG1 2.85Å; E755-T757 VanDerWaalsContact C-N 3.3Å; E755-T757 PolarHBondContact O-N 2.82Å; T757-Y759 PolarHBondContact O-N 3.12Å; T757-A760 WeakPolarHBondContact O-CB 3.45Å; T757-A760 PolarHBondContact O-N 3.43Å; T757-A760 VanDerWaalsContact O-N 3.12Å; T757-E761 PolarHBondContact O-N 3.34Å |
| 758 | T | 74.1 | Confident | 70 | Confident | 69 Ų | 69 | 89.3 Ų | 89.3 | 42% | 0.423 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 174.1 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | E754 E755 A760 E761 D762 | E754-T758 PolarHBondContact O-N 2.73Å; E754-T758 PolarHBondContact O-OG1 2.89Å; E754-T758 VanDerWaalsContact O-OG1 3.05Å; E755-T758 PolarHBondContact O-N 3.05Å; T758-A760 VanDerWaalsContact C-N 3.33Å; T758-A760 PolarHBondContact O-N 3.26Å; T758-E761 PolarHBondContact O-N 2.99Å; T758-D762 PolarHBondContact O-N 3Å |
| 759 | Y | 70.2 | Confident | 70.8 | Confident | 149 Ų | 149 | 91.4 Ų | 91.4 | 58% | 0.584 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.8 | -35.6 | 174.5 | -67.1 | -52.9 | 0 | 0 | 0 | 112.7 | E755 T757 I763 | E755-Y759 HydrophobicContact CB-CD2 4.44Å; E755-Y759 HydrophobicContact CB-CE2 4.06Å; E755-Y759 WeakPolarHBondContact O-CD2 3.46Å; E755-Y759 PolarHBondContact O-N 3.45Å; T757-Y759 PolarHBondContact O-N 3.12Å; Y759-I763 WeakPolarHBondContact O-CB 3.39Å; Y759-I763 WeakPolarHBondContact O-CD1 3.49Å; Y759-I763 WeakPolarHBondContact O-CG1 3.4Å; Y759-I763 PolarHBondContact O-N 3.17Å |
| 760 | A | 69.9 | Low | 70.9 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 47% | 0.471 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | S756 T757 T758 I763 A764 | S756-A760 WeakPolarHBondContact O-CB 3.22Å; S756-A760 PolarHBondContact O-N 2.91Å; S756-A760 VanDerWaalsContact O-N 3.12Å; T757-A760 WeakPolarHBondContact O-CB 3.45Å; T757-A760 PolarHBondContact O-N 3.43Å; T757-A760 VanDerWaalsContact O-N 3.12Å; T758-A760 VanDerWaalsContact C-N 3.33Å; T758-A760 PolarHBondContact O-N 3.26Å; A760-I763 PolarHBondContact O-N 3.38Å; A760-A764 PolarHBondContact O-N 3.25Å |
| 761 | E | 73.3 | Confident | 71 | Confident | 111 Ų | 111 | 92.2 Ų | 92.2 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 173.4 | -74 | -168.6 | -170.7 | 0 | 0 | 112.6 | T757 T758 I763 A764 K765 | T757-E761 PolarHBondContact O-N 3.34Å; T758-E761 PolarHBondContact O-N 2.99Å; E761-I763 VanDerWaalsContact C-N 3.31Å; E761-I763 PolarHBondContact O-N 2.87Å; E761-A764 CarbonylContact O-C 3.56Å; E761-A764 WeakPolarHBondContact O-CA 3.43Å; E761-A764 WeakPolarHBondContact O-CB 3.49Å; E761-A764 PolarHBondContact O-N 2.87Å; E761-K765 VanDerWaalsContact O-CG 3.31Å; E761-K765 WeakPolarHBondContact O-CG 3.23Å; E761-K765 PolarHBondContact O-N 3.35Å; E761-K765 WeakPolarHBondContact OE2-CE 3.45Å; E761-K765 IonicContact OE2-NZ 3.39Å; E761-K765 PolarHBondContact OE2-NZ 3.35Å |
| 762 | D | 69.9 | Low | 71.2 | Confident | 73 Ų | 73 | 92.8 Ų | 92.8 | 39% | 0.39 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.1 | -32.4 | -178.5 | -80.4 | 5 | 0 | 0 | 0 | 111.8 | T758 A764 K765 L766 | T758-D762 PolarHBondContact O-N 3Å; D762-A764 VanDerWaalsContact C-N 3.34Å; D762-K765 PolarHBondContact O-N 2.97Å; D762-K765 WeakPolarHBondContact OD1-CD 3.45Å; D762-K765 IonicContact OD1-NZ 2.68Å; D762-K765 PolarHBondContact OD1-NZ 3.36Å; D762-L766 WeakPolarHBondContact O-CB 3.47Å; D762-L766 VanDerWaalsContact O-CG 3.24Å; D762-L766 WeakPolarHBondContact O-CG 3.42Å; D762-L766 PolarHBondContact O-N 2.86Å |
| 763 | I | 68 | Low | 71.1 | Confident | 59 Ų | 59 | 93 Ų | 93 | 30% | 0.303 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 166.3 | -72.6 | 167.3 | 0 | 0 | 0 | 111 | Y759 A760 E761 L766 R767 | Y759-I763 WeakPolarHBondContact O-CB 3.39Å; Y759-I763 WeakPolarHBondContact O-CD1 3.49Å; Y759-I763 WeakPolarHBondContact O-CG1 3.4Å; Y759-I763 PolarHBondContact O-N 3.17Å; A760-I763 PolarHBondContact O-N 3.38Å; E761-I763 VanDerWaalsContact C-N 3.31Å; E761-I763 PolarHBondContact O-N 2.87Å; I763-L766 PolarHBondContact O-N 2.97Å; I763-R767 VanDerWaalsContact O-CG 3.29Å; I763-R767 WeakPolarHBondContact O-CG 3.36Å; I763-R767 PolarHBondContact O-N 3.01Å |
| 764 | A | 70.9 | Confident | 70.8 | Confident | 54 Ų | 54 | 95.9 Ų | 95.9 | 45% | 0.446 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A760 E761 D762 L766 R767 Q768 | A760-A764 PolarHBondContact O-N 3.25Å; E761-A764 CarbonylContact O-C 3.56Å; E761-A764 WeakPolarHBondContact O-CA 3.43Å; E761-A764 WeakPolarHBondContact O-CB 3.49Å; E761-A764 PolarHBondContact O-N 2.87Å; D762-A764 VanDerWaalsContact C-N 3.34Å; A764-L766 VanDerWaalsContact C-N 3.27Å; A764-L766 PolarHBondContact O-N 2.83Å; A764-R767 WeakPolarHBondContact O-CB 3.43Å; A764-R767 PolarHBondContact O-N 2.92Å; A764-R767 VanDerWaalsContact O-N 3.16Å; A764-Q768 PolarHBondContact O-N 3.28Å |
| 765 | K | 77.8 | Confident | 70.7 | Confident | 84 Ų | 84 | 95.4 Ų | 95.4 | 37% | 0.365 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.7 | -34.2 | 174.8 | -64.6 | 162 | -155.5 | 155.6 | 0 | 111.9 | E761 D762 K769 | E761-K765 VanDerWaalsContact O-CG 3.31Å; E761-K765 WeakPolarHBondContact O-CG 3.23Å; E761-K765 PolarHBondContact O-N 3.35Å; E761-K765 WeakPolarHBondContact OE2-CE 3.45Å; E761-K765 IonicContact OE2-NZ 3.39Å; E761-K765 PolarHBondContact OE2-NZ 3.35Å; D762-K765 PolarHBondContact O-N 2.97Å; D762-K765 WeakPolarHBondContact OD1-CD 3.45Å; D762-K765 IonicContact OD1-NZ 2.68Å; D762-K765 PolarHBondContact OD1-NZ 3.36Å; K765-K769 WeakPolarHBondContact O-CD 3.42Å; K765-K769 WeakPolarHBondContact O-CG 3.48Å; K765-K769 PolarHBondContact O-N 3.47Å |
| 766 | L | 74.3 | Confident | 70.8 | Confident | 105 Ų | 105 | 95.6 Ų | 95.6 | 55% | 0.55 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -75 | -36.9 | 174.3 | -74.9 | 169.4 | 0 | 0 | 0 | 112.9 | D762 I763 A764 L770 | D762-L766 WeakPolarHBondContact O-CB 3.47Å; D762-L766 VanDerWaalsContact O-CG 3.24Å; D762-L766 WeakPolarHBondContact O-CG 3.42Å; D762-L766 PolarHBondContact O-N 2.86Å; I763-L766 PolarHBondContact O-N 2.97Å; A764-L766 VanDerWaalsContact C-N 3.27Å; A764-L766 PolarHBondContact O-N 2.83Å; L766-L770 PolarHBondContact O-N 3.01Å; L766-L770 VanDerWaalsContact O-N 3.11Å |
| 767 | R | 60.3 | Low | 71.1 | Confident | 103 Ų | 103 | 93.2 Ų | 93.2 | 39% | 0.389 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.8 | -50.5 | 173.2 | -75.7 | 175.1 | -177.5 | -69.2 | -1.5 | 111.4 | E645 I763 A764 K769 L770 D771 | E645-R767 IonicContact OE1-NH1 3.99Å; I763-R767 VanDerWaalsContact O-CG 3.29Å; I763-R767 WeakPolarHBondContact O-CG 3.36Å; I763-R767 PolarHBondContact O-N 3.01Å; A764-R767 WeakPolarHBondContact O-CB 3.43Å; A764-R767 PolarHBondContact O-N 2.92Å; A764-R767 VanDerWaalsContact O-N 3.16Å; R767-K769 VanDerWaalsContact C-N 3.32Å; R767-K769 PolarHBondContact O-N 3.5Å; R767-L770 WeakPolarHBondContact O-CA 3.48Å; R767-L770 WeakPolarHBondContact O-CB 3.31Å; R767-L770 PolarHBondContact O-N 2.81Å; R767-D771 PolarHBondContact O-N 2.88Å |
| 768 | Q | 76 | Confident | 71.3 | Confident | 124 Ų | 124 | 92.7 Ų | 92.7 | 58% | 0.579 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -53.5 | -49.7 | 177.5 | -174.8 | 177.6 | 9.1 | 0 | 0 | 111.3 | A764 L770 D771 D772 | A764-Q768 PolarHBondContact O-N 3.28Å; Q768-L770 VanDerWaalsContact C-N 3.28Å; Q768-L770 PolarHBondContact O-N 2.94Å; Q768-D771 PolarHBondContact O-N 3.28Å; Q768-D771 VanDerWaalsContact O-N 3.11Å; Q768-D772 PolarHBondContact O-N 3.5Å |
| 769 | K | 73.7 | Confident | 71.6 | Confident | 128 Ų | 128 | 94.6 Ų | 94.6 | 56% | 0.557 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.3 | -33.6 | 176.5 | -72.7 | 169.4 | -177.4 | 171.4 | 0 | 113.5 | K765 R767 F773 | K765-K769 WeakPolarHBondContact O-CD 3.42Å; K765-K769 WeakPolarHBondContact O-CG 3.48Å; K765-K769 PolarHBondContact O-N 3.47Å; R767-K769 VanDerWaalsContact C-N 3.32Å; R767-K769 PolarHBondContact O-N 3.5Å; K769-F773 WeakPolarHBondContact O-CB 3.3Å; K769-F773 WeakPolarHBondContact O-CD2 3.37Å; K769-F773 WeakPolarHBondContact O-CG 3.28Å; K769-F773 PolarHBondContact O-N 3.19Å |
| 770 | L | 60.7 | Low | 72.2 | Confident | 81 Ų | 81 | 91.3 Ų | 91.3 | 42% | 0.424 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.3 | -41.9 | 174.5 | -97.9 | 164.3 | 0 | 0 | 0 | 111.8 | L766 R767 Q768 F773 R774 | L766-L770 PolarHBondContact O-N 3.01Å; L766-L770 VanDerWaalsContact O-N 3.11Å; R767-L770 WeakPolarHBondContact O-CA 3.48Å; R767-L770 WeakPolarHBondContact O-CB 3.31Å; R767-L770 PolarHBondContact O-N 2.81Å; Q768-L770 VanDerWaalsContact C-N 3.28Å; Q768-L770 PolarHBondContact O-N 2.94Å; L770-F773 PolarHBondContact O-N 3.3Å; L770-R774 VanDerWaalsContact O-CB 3.32Å; L770-R774 WeakPolarHBondContact O-CB 3.34Å; L770-R774 PolarHBondContact O-N 3.43Å |
| 771 | D | 71.5 | Confident | 72.6 | Confident | 101 Ų | 101 | 94.8 Ų | 94.8 | 54% | 0.54 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.8 | -37.4 | 176.3 | -67.5 | -44.2 | 0 | 0 | 0 | 111.5 | R767 Q768 R774 L775 | R767-D771 PolarHBondContact O-N 2.88Å; Q768-D771 PolarHBondContact O-N 3.28Å; Q768-D771 VanDerWaalsContact O-N 3.11Å; D771-R774 PolarHBondContact O-N 3.29Å; D771-L775 WeakPolarHBondContact O-CB 3.37Å; D771-L775 PolarHBondContact O-N 3.47Å |
| 772 | D | 76.2 | Confident | 72.9 | Confident | 84 Ų | 84 | 97.1 Ų | 97.1 | 45% | 0.449 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 170.9 | -64.4 | -34.5 | 0 | 0 | 0 | 111.5 | Q768 R774 L775 N776 | Q768-D772 PolarHBondContact O-N 3.5Å; D772-R774 VanDerWaalsContact C-N 3.27Å; D772-R774 PolarHBondContact O-N 2.9Å; D772-L775 PolarHBondContact O-N 3.3Å; D772-N776 WeakPolarHBondContact O-CB 3.37Å; D772-N776 PolarHBondContact O-N 3.48Å |
| 773 | F | 67.4 | Low | 73.4 | Confident | 103 Ų | 103 | 99.8 Ų | 99.8 | 45% | 0.452 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -35.9 | 176 | -84.2 | -54.7 | 0 | 0 | 0 | 112.2 | K769 L770 L777 | K769-F773 WeakPolarHBondContact O-CB 3.3Å; K769-F773 WeakPolarHBondContact O-CD2 3.37Å; K769-F773 WeakPolarHBondContact O-CG 3.28Å; K769-F773 PolarHBondContact O-N 3.19Å; L770-F773 PolarHBondContact O-N 3.3Å; F773-L777 WeakPolarHBondContact O-CB 3.24Å; F773-L777 PolarHBondContact O-N 2.92Å |
| 774 | R | 69.4 | Low | 74 | Confident | 151 Ų | 151 | 105.3 Ų | 105.3 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.9 | -46.7 | 175.6 | 179.7 | -178.9 | 171 | 173.6 | -2.4 | 111.3 | L770 D771 D772 N776 L777 E778 | L770-R774 VanDerWaalsContact O-CB 3.32Å; L770-R774 WeakPolarHBondContact O-CB 3.34Å; L770-R774 PolarHBondContact O-N 3.43Å; D771-R774 PolarHBondContact O-N 3.29Å; D772-R774 VanDerWaalsContact C-N 3.27Å; D772-R774 PolarHBondContact O-N 2.9Å; R774-N776 VanDerWaalsContact C-N 3.29Å; R774-N776 PolarHBondContact O-N 3.09Å; R774-L777 PolarHBondContact O-N 2.9Å; R774-E778 IonicContact CZ-OE1 3.08Å; R774-E778 VanDerWaalsContact CZ-OE1 3.31Å; R774-E778 IonicContact NE-OE1 3.23Å; R774-E778 PolarHBondContact NE-OE1 3Å; R774-E778 IonicContact NH2-OE1 2.63Å; R774-E778 PolarHBondContact NH2-OE1 3.44Å; R774-E778 WeakPolarHBondContact O-CB 3.47Å; R774-E778 WeakPolarHBondContact O-CG 3.42Å; R774-E778 PolarHBondContact O-N 3.37Å |
| 775 | L | 73.6 | Confident | 74.1 | Confident | 124 Ų | 124 | 105.6 Ų | 105.6 | 65% | 0.649 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.3 | -44.4 | 177 | -173 | 71.7 | 0 | 0 | 0 | 110.4 | D771 D772 E778 L779 | D771-L775 WeakPolarHBondContact O-CB 3.37Å; D771-L775 PolarHBondContact O-N 3.47Å; D772-L775 PolarHBondContact O-N 3.3Å; L775-E778 CarbonylContact O-C 3.59Å; L775-E778 PolarHBondContact O-N 2.87Å; L775-L779 WeakPolarHBondContact O-CB 3.35Å; L775-L779 PolarHBondContact O-N 3.31Å |
| 776 | N | 74.4 | Confident | 74.5 | Confident | 96 Ų | 96 | 104 Ų | 104 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63 | -41.9 | 176.2 | -166.9 | 83.5 | 0 | 0 | 0 | 112.4 | D772 R774 L779 E780 | D772-N776 WeakPolarHBondContact O-CB 3.37Å; D772-N776 PolarHBondContact O-N 3.48Å; R774-N776 VanDerWaalsContact C-N 3.29Å; R774-N776 PolarHBondContact O-N 3.09Å; N776-L779 WeakPolarHBondContact O-CB 3.38Å; N776-L779 PolarHBondContact O-N 3.02Å; N776-E780 WeakPolarHBondContact O-CB 3.44Å; N776-E780 PolarHBondContact O-N 3.4Å |
| 777 | L | 70.4 | Confident | 75 | Confident | 25 Ų | 25 | 103 Ų | 103 | 13% | 0.131 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 174.8 | -174.7 | 72.5 | 0 | 0 | 0 | 112.4 | F773 R774 L779 K781 | F773-L777 WeakPolarHBondContact O-CB 3.24Å; F773-L777 PolarHBondContact O-N 2.92Å; R774-L777 PolarHBondContact O-N 2.9Å; L777-L779 VanDerWaalsContact C-N 3.33Å; L777-K781 HydrophobicContact CG-CD 4.33Å; L777-K781 WeakPolarHBondContact O-CB 3.2Å; L777-K781 VanDerWaalsContact O-CG 3.24Å; L777-K781 WeakPolarHBondContact O-CG 3.26Å; L777-K781 PolarHBondContact O-N 2.88Å |
| 778 | E | 75.5 | Confident | 76.3 | Confident | 66 Ų | 66 | 105 Ų | 105 | 31% | 0.308 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73.6 | -23.1 | 175 | -73.3 | -168.3 | -154.5 | 0 | 0 | 112.7 | R774 L775 R782 | R774-E778 IonicContact CZ-OE1 3.08Å; R774-E778 VanDerWaalsContact CZ-OE1 3.31Å; R774-E778 IonicContact NE-OE1 3.23Å; R774-E778 PolarHBondContact NE-OE1 3Å; R774-E778 IonicContact NH2-OE1 2.63Å; R774-E778 PolarHBondContact NH2-OE1 3.44Å; R774-E778 WeakPolarHBondContact O-CB 3.47Å; R774-E778 WeakPolarHBondContact O-CG 3.42Å; R774-E778 PolarHBondContact O-N 3.37Å; L775-E778 CarbonylContact O-C 3.59Å; L775-E778 PolarHBondContact O-N 2.87Å; E778-R782 WeakPolarHBondContact O-CG 3.34Å; E778-R782 PolarHBondContact O-N 2.68Å; E778-R782 PolarHBondContact O-NH1 3.03Å; E778-R782 IonicContact OE2-NH1 3.39Å |
| 779 | L | 81.5 | Confident | 76.8 | Confident | 108 Ų | 108 | 103.5 Ų | 103.5 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -74.5 | -50.8 | 168.6 | -167.1 | 81.9 | 0 | 0 | 0 | 110.7 | L775 N776 L777 K781 R782 Q783 | L775-L779 WeakPolarHBondContact O-CB 3.35Å; L775-L779 PolarHBondContact O-N 3.31Å; N776-L779 WeakPolarHBondContact O-CB 3.38Å; N776-L779 PolarHBondContact O-N 3.02Å; L777-L779 VanDerWaalsContact C-N 3.33Å; L779-K781 VanDerWaalsContact C-N 3.32Å; L779-K781 PolarHBondContact O-N 3.43Å; L779-R782 WeakPolarHBondContact O-CA 3.46Å; L779-R782 WeakPolarHBondContact O-CB 3.38Å; L779-R782 PolarHBondContact O-N 3.41Å; L779-Q783 PolarHBondContact O-N 2.89Å |
| 780 | E | 82.3 | Confident | 77.6 | Confident | 81 Ų | 81 | 103.2 Ų | 103.2 | 38% | 0.379 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.3 | -43.3 | 179.6 | -158.7 | -159.5 | 147.1 | 0 | 0 | 111.2 | N776 R782 Q783 W784 | N776-E780 WeakPolarHBondContact O-CB 3.44Å; N776-E780 PolarHBondContact O-N 3.4Å; E780-R782 VanDerWaalsContact C-N 3.32Å; E780-R782 PolarHBondContact O-N 2.7Å; E780-Q783 WeakPolarHBondContact O-CB 3.39Å; E780-Q783 PolarHBondContact O-N 3.31Å; E780-Q783 VanDerWaalsContact O-N 3.17Å; E780-W784 VanDerWaalsContact O-CD1 3.24Å; E780-W784 PolarHBondContact O-N 2.93Å; E780-W784 PolarHBondContact OE1-NE1 3.5Å |
| 781 | K | 78.5 | Confident | 79 | Confident | 130 Ų | 130 | 103.6 Ų | 103.6 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.9 | -34.6 | 174.1 | -76.9 | 172.3 | 179 | 176.1 | 0 | 113.5 | L777 L779 S785 | L777-K781 HydrophobicContact CG-CD 4.33Å; L777-K781 WeakPolarHBondContact O-CB 3.2Å; L777-K781 VanDerWaalsContact O-CG 3.24Å; L777-K781 WeakPolarHBondContact O-CG 3.26Å; L777-K781 PolarHBondContact O-N 2.88Å; L779-K781 VanDerWaalsContact C-N 3.32Å; L779-K781 PolarHBondContact O-N 3.43Å; K781-S785 WeakPolarHBondContact O-CB 3.42Å; K781-S785 PolarHBondContact O-N 2.98Å |
| 782 | R | 79.3 | Confident | 79.8 | Confident | 159 Ų | 159 | 102.4 Ų | 102.4 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.3 | -40.8 | 173.7 | -76.7 | 175.1 | 177.7 | 89 | -8.3 | 110.9 | E778 L779 E780 S785 A786 | E778-R782 WeakPolarHBondContact O-CG 3.34Å; E778-R782 PolarHBondContact O-N 2.68Å; E778-R782 PolarHBondContact O-NH1 3.03Å; E778-R782 IonicContact OE2-NH1 3.39Å; L779-R782 WeakPolarHBondContact O-CA 3.46Å; L779-R782 WeakPolarHBondContact O-CB 3.38Å; L779-R782 PolarHBondContact O-N 3.41Å; E780-R782 VanDerWaalsContact C-N 3.32Å; E780-R782 PolarHBondContact O-N 2.7Å; R782-S785 PolarHBondContact O-N 3.26Å; R782-A786 WeakPolarHBondContact O-CB 3.19Å; R782-A786 PolarHBondContact O-N 3.08Å |
| 783 | Q | 78.9 | Confident | 80.3 | Confident | 130 Ų | 130 | 100.1 Ų | 100.1 | 61% | 0.607 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.7 | -48.1 | 176 | -170.7 | 172.3 | 2.8 | 0 | 0 | 111.6 | L779 E780 S785 A786 E787 | L779-Q783 PolarHBondContact O-N 2.89Å; E780-Q783 WeakPolarHBondContact O-CB 3.39Å; E780-Q783 PolarHBondContact O-N 3.31Å; E780-Q783 VanDerWaalsContact O-N 3.17Å; Q783-S785 VanDerWaalsContact C-N 3.35Å; Q783-S785 PolarHBondContact O-N 2.84Å; Q783-A786 PolarHBondContact O-N 2.87Å; Q783-E787 PolarHBondContact O-N 2.82Å |
| 784 | W | 80.9 | Confident | 81.4 | Confident | 175 Ų | 175 | 102.4 Ų | 102.4 | 66% | 0.663 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62 | -36.6 | 174.2 | -78.6 | 115.1 | 0 | 0 | 0 | 113.3 | E780 K788 | E780-W784 VanDerWaalsContact O-CD1 3.24Å; E780-W784 PolarHBondContact O-N 2.93Å; E780-W784 PolarHBondContact OE1-NE1 3.5Å; W784-K788 VanDerWaalsContact O-CB 3.22Å; W784-K788 WeakPolarHBondContact O-CB 3.28Å; W784-K788 PolarHBondContact O-N 3.4Å |
| 785 | S | 74.5 | Confident | 82.2 | Confident | 59 Ų | 59 | 101.1 Ų | 101.1 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.9 | -49.9 | 173.2 | -163.3 | 0 | 0 | 0 | 0 | 111.1 | K781 R782 Q783 E787 K788 D789 | K781-S785 WeakPolarHBondContact O-CB 3.42Å; K781-S785 PolarHBondContact O-N 2.98Å; R782-S785 PolarHBondContact O-N 3.26Å; Q783-S785 VanDerWaalsContact C-N 3.35Å; Q783-S785 PolarHBondContact O-N 2.84Å; S785-E787 VanDerWaalsContact C-N 3.31Å; S785-E787 PolarHBondContact O-N 3.49Å; S785-K788 WeakPolarHBondContact O-CB 3.29Å; S785-K788 PolarHBondContact O-N 2.99Å; S785-D789 WeakPolarHBondContact O-CB 3.39Å; S785-D789 VanDerWaalsContact O-CG 3.25Å; S785-D789 PolarHBondContact O-N 3.19Å; S785-D789 PolarHBondContact OG-OD2 2.83Å |
| 786 | A | 84.8 | Confident | 83 | Confident | 51 Ų | 51 | 101.2 Ų | 101.2 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -40 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R782 Q783 D789 K790 | R782-A786 WeakPolarHBondContact O-CB 3.19Å; R782-A786 PolarHBondContact O-N 3.08Å; Q783-A786 PolarHBondContact O-N 2.87Å; A786-D789 PolarHBondContact O-N 3.49Å; A786-K790 WeakPolarHBondContact O-CG 3.43Å; A786-K790 PolarHBondContact O-N 3.35Å |
| 787 | E | 86.4 | Confident | 83.7 | Confident | 85 Ų | 85 | 103.2 Ų | 103.2 | 40% | 0.397 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 176.2 | -148.7 | 62.8 | -134.9 | 0 | 0 | 112 | Q783 S785 D789 K790 V791 | Q783-E787 PolarHBondContact O-N 2.82Å; S785-E787 VanDerWaalsContact C-N 3.31Å; S785-E787 PolarHBondContact O-N 3.49Å; E787-D789 VanDerWaalsContact C-N 3.31Å; E787-D789 PolarHBondContact O-N 2.83Å; E787-K790 VanDerWaalsContact CD-NZ 3.27Å; E787-K790 WeakPolarHBondContact O-CB 3.46Å; E787-K790 PolarHBondContact O-N 2.86Å; E787-K790 WeakPolarHBondContact OE1-CD 3.42Å; E787-K790 IonicContact OE1-NZ 2.76Å; E787-K790 PolarHBondContact OE1-NZ 3.49Å; E787-K790 VanDerWaalsContact OE1-NZ 3.08Å; E787-K790 IonicContact OE2-NZ 3.62Å; E787-K790 PolarHBondContact OE2-NZ 3.33Å; E787-V791 WeakPolarHBondContact O-CG2 3.34Å; E787-V791 PolarHBondContact O-N 3.33Å |
| 788 | K | 87.6 | Confident | 84.7 | Confident | 145 Ų | 145 | 105.1 Ų | 105.1 | 63% | 0.63 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.8 | -41.3 | 172.3 | 176.8 | 179.3 | 175.9 | 177.9 | 0 | 112.1 | W784 S785 V791 L792 | W784-K788 VanDerWaalsContact O-CB 3.22Å; W784-K788 WeakPolarHBondContact O-CB 3.28Å; W784-K788 PolarHBondContact O-N 3.4Å; S785-K788 WeakPolarHBondContact O-CB 3.29Å; S785-K788 PolarHBondContact O-N 2.99Å; K788-V791 PolarHBondContact O-N 2.86Å; K788-L792 WeakPolarHBondContact O-CB 3.48Å; K788-L792 PolarHBondContact O-N 3.44Å |
| 789 | D | 84.9 | Confident | 85.2 | Confident | 91 Ų | 91 | 107.8 Ų | 107.8 | 49% | 0.487 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.8 | -34.4 | 179.9 | -68.5 | -41.6 | 0 | 0 | 0 | 111.6 | S785 A786 E787 G793 | S785-D789 WeakPolarHBondContact O-CB 3.39Å; S785-D789 VanDerWaalsContact O-CG 3.25Å; S785-D789 PolarHBondContact O-N 3.19Å; S785-D789 PolarHBondContact OG-OD2 2.83Å; A786-D789 PolarHBondContact O-N 3.49Å; E787-D789 VanDerWaalsContact C-N 3.31Å; E787-D789 PolarHBondContact O-N 2.83Å; D789-G793 PolarHBondContact O-N 2.63Å |
| 790 | K | 92.2 | Very high | 85.5 | Confident | 123 Ų | 123 | 105.2 Ų | 105.2 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 167.2 | -68 | 169.4 | -170.2 | 171.6 | 0 | 112.1 | A786 E787 L792 G793 Y794 | A786-K790 WeakPolarHBondContact O-CG 3.43Å; A786-K790 PolarHBondContact O-N 3.35Å; E787-K790 VanDerWaalsContact CD-NZ 3.27Å; E787-K790 WeakPolarHBondContact O-CB 3.46Å; E787-K790 PolarHBondContact O-N 2.86Å; E787-K790 WeakPolarHBondContact OE1-CD 3.42Å; E787-K790 IonicContact OE1-NZ 2.76Å; E787-K790 PolarHBondContact OE1-NZ 3.49Å; E787-K790 VanDerWaalsContact OE1-NZ 3.08Å; E787-K790 IonicContact OE2-NZ 3.62Å; E787-K790 PolarHBondContact OE2-NZ 3.33Å; K790-L792 VanDerWaalsContact C-N 3.32Å; K790-L792 PolarHBondContact O-N 3.05Å; K790-G793 CarbonylContact O-C 3.57Å; K790-G793 WeakPolarHBondContact O-CA 3.35Å; K790-G793 PolarHBondContact O-N 3.03Å; K790-G793 VanDerWaalsContact O-N 3.09Å; K790-Y794 PolarHBondContact O-N 3.47Å |
| 791 | V | 88.3 | Confident | 85.8 | Confident | 89 Ų | 89 | 106.6 Ų | 106.6 | 54% | 0.539 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 179.8 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | E787 K788 G793 Y794 Q795 | E787-V791 WeakPolarHBondContact O-CG2 3.34Å; E787-V791 PolarHBondContact O-N 3.33Å; K788-V791 PolarHBondContact O-N 2.86Å; V791-G793 VanDerWaalsContact C-N 3.32Å; V791-G793 PolarHBondContact O-N 3.41Å; V791-Y794 PolarHBondContact O-N 2.89Å; V791-Q795 WeakPolarHBondContact O-CB 3.21Å; V791-Q795 PolarHBondContact O-N 2.9Å |
| 792 | L | 88.6 | Confident | 86.3 | Confident | 75 Ų | 75 | 107 Ų | 107 | 39% | 0.393 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -35 | 174.6 | -171.3 | 66.6 | 0 | 0 | 0 | 112.1 | K788 K790 K796 | K788-L792 WeakPolarHBondContact O-CB 3.48Å; K788-L792 PolarHBondContact O-N 3.44Å; K790-L792 VanDerWaalsContact C-N 3.32Å; K790-L792 PolarHBondContact O-N 3.05Å; L792-K796 WeakPolarHBondContact O-CB 3.47Å; L792-K796 VanDerWaalsContact O-CG 3.24Å; L792-K796 WeakPolarHBondContact O-CG 3.27Å; L792-K796 PolarHBondContact O-N 3.3Å |
| 793 | G | 87.6 | Confident | 86.8 | Confident | 36 Ų | 36 | 103.4 Ų | 103.4 | 37% | 0.371 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.3 | -49 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D789 K790 V791 Q795 K796 Q797 | D789-G793 PolarHBondContact O-N 2.63Å; K790-G793 CarbonylContact O-C 3.57Å; K790-G793 WeakPolarHBondContact O-CA 3.35Å; K790-G793 PolarHBondContact O-N 3.03Å; K790-G793 VanDerWaalsContact O-N 3.09Å; V791-G793 VanDerWaalsContact C-N 3.32Å; V791-G793 PolarHBondContact O-N 3.41Å; G793-Q795 PolarHBondContact O-N 3.28Å; G793-K796 PolarHBondContact O-N 3.48Å; G793-Q797 PolarHBondContact O-N 2.99Å |
| 794 | Y | 89.9 | Confident | 87.1 | Confident | 152 Ų | 152 | 103.4 Ų | 103.4 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.4 | -43.1 | 175.6 | 179.8 | -100.3 | 0 | 0 | 0 | 111.7 | K790 V791 K796 Q797 L798 | K790-Y794 PolarHBondContact O-N 3.47Å; V791-Y794 PolarHBondContact O-N 2.89Å; Y794-K796 PolarHBondContact O-N 2.88Å; Y794-Q797 PolarHBondContact O-N 2.91Å; Y794-L798 HydrophobicContact CE1-CD2 4.48Å; Y794-L798 WeakPolarHBondContact O-CB 3.34Å; Y794-L798 PolarHBondContact O-N 2.76Å |
| 795 | Q | 85.5 | Confident | 87.5 | Confident | 123 Ų | 123 | 99.5 Ų | 99.5 | 58% | 0.575 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.1 | -38.3 | 177.8 | -165.5 | 170.5 | 28.3 | 0 | 0 | 112 | V791 G793 Q799 | V791-Q795 WeakPolarHBondContact O-CB 3.21Å; V791-Q795 PolarHBondContact O-N 2.9Å; G793-Q795 PolarHBondContact O-N 3.28Å; Q795-Q799 WeakPolarHBondContact O-CB 3.36Å; Q795-Q799 PolarHBondContact O-N 3.46Å |
| 796 | K | 91.6 | Very high | 88.1 | Confident | 127 Ų | 127 | 103.4 Ų | 103.4 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 170.4 | -76.1 | 169.5 | 179.1 | 177.7 | 0 | 112.3 | L792 G793 Y794 Q799 A800 | L792-K796 WeakPolarHBondContact O-CB 3.47Å; L792-K796 VanDerWaalsContact O-CG 3.24Å; L792-K796 WeakPolarHBondContact O-CG 3.27Å; L792-K796 PolarHBondContact O-N 3.3Å; G793-K796 PolarHBondContact O-N 3.48Å; Y794-K796 PolarHBondContact O-N 2.88Å; K796-Q799 PolarHBondContact O-N 2.97Å; K796-A800 WeakPolarHBondContact O-CB 3.34Å; K796-A800 PolarHBondContact O-N 3.24Å |
| 797 | Q | 89.2 | Confident | 88.3 | Confident | 138 Ų | 138 | 106.2 Ų | 106.2 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 177.7 | -174.3 | 178.7 | 3.7 | 0 | 0 | 111.5 | G793 Y794 A800 H801 | G793-Q797 PolarHBondContact O-N 2.99Å; Y794-Q797 PolarHBondContact O-N 2.91Å; Q797-A800 PolarHBondContact O-N 2.93Å; Q797-H801 WeakPolarHBondContact O-CB 3.48Å; Q797-H801 PolarHBondContact O-N 3.37Å |
| 798 | L | 91.4 | Very high | 88.2 | Confident | 64 Ų | 64 | 109 Ų | 109 | 34% | 0.335 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 175.4 | -175.8 | 64 | 0 | 0 | 0 | 111.4 | Y794 A800 H801 Y802 | Y794-L798 HydrophobicContact CE1-CD2 4.48Å; Y794-L798 WeakPolarHBondContact O-CB 3.34Å; Y794-L798 PolarHBondContact O-N 2.76Å; L798-A800 PolarHBondContact O-N 3.06Å; L798-H801 PolarHBondContact O-N 3.24Å; L798-Y802 HydrophobicContact CD1-CD2 4.32Å; L798-Y802 HydrophobicContact CD1-CE2 3.8Å; L798-Y802 HydrophobicContact CD2-CE2 4.23Å; L798-Y802 HydrophobicContact CG-CD2 4.07Å; L798-Y802 HydrophobicContact CG-CE2 3.69Å; L798-Y802 WeakPolarHBondContact O-CD2 3.41Å; L798-Y802 PolarHBondContact O-N 3.45Å |
| 799 | Q | 85.2 | Confident | 88 | Confident | 122 Ų | 122 | 106.5 Ų | 106.5 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.9 | -42.1 | 174.1 | -170.3 | 176.9 | 18.5 | 0 | 0 | 111.8 | Q795 K796 Y802 I803 | Q795-Q799 WeakPolarHBondContact O-CB 3.36Å; Q795-Q799 PolarHBondContact O-N 3.46Å; K796-Q799 PolarHBondContact O-N 2.97Å; Q799-Y802 PolarHBondContact O-N 2.87Å; Q799-I803 HydrophobicContact CG-CD1 4.15Å; Q799-I803 VanDerWaalsContact O-CG1 3.29Å; Q799-I803 WeakPolarHBondContact O-CG1 3.28Å; Q799-I803 PolarHBondContact O-N 2.85Å |
| 800 | A | 88.4 | Confident | 87.9 | Confident | 55 Ų | 55 | 109.7 Ų | 109.7 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -39 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K796 Q797 L798 I803 Q804 | K796-A800 WeakPolarHBondContact O-CB 3.34Å; K796-A800 PolarHBondContact O-N 3.24Å; Q797-A800 PolarHBondContact O-N 2.93Å; L798-A800 PolarHBondContact O-N 3.06Å; A800-I803 PolarHBondContact O-N 3.34Å; A800-Q804 WeakPolarHBondContact O-CB 3.44Å; A800-Q804 PolarHBondContact O-N 3.39Å |
| 801 | H | 87.8 | Confident | 87.3 | Confident | 110 Ų | 110 | 108 Ų | 108 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 174.8 | -177.4 | -94.6 | 0 | 0 | 0 | 112.1 | Q797 L798 I803 Q804 M805 | Q797-H801 WeakPolarHBondContact O-CB 3.48Å; Q797-H801 PolarHBondContact O-N 3.37Å; L798-H801 PolarHBondContact O-N 3.24Å; H801-I803 PolarHBondContact O-N 2.7Å; H801-Q804 PolarHBondContact O-N 3.32Å; H801-M805 WeakPolarHBondContact O-CB 3.47Å; H801-M805 PolarHBondContact O-N 3.25Å |
| 802 | Y | 89 | Confident | 86.9 | Confident | 137 Ų | 137 | 108.8 Ų | 108.8 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 173 | -77.7 | -61.8 | 0 | 0 | 0 | 112.2 | L798 Q799 M805 Y806 | L798-Y802 HydrophobicContact CD1-CD2 4.32Å; L798-Y802 HydrophobicContact CD1-CE2 3.8Å; L798-Y802 HydrophobicContact CD2-CE2 4.23Å; L798-Y802 HydrophobicContact CG-CD2 4.07Å; L798-Y802 HydrophobicContact CG-CE2 3.69Å; L798-Y802 WeakPolarHBondContact O-CD2 3.41Å; L798-Y802 PolarHBondContact O-N 3.45Å; Q799-Y802 PolarHBondContact O-N 2.87Å; Y802-M805 HydrophobicContact CD1-CE 4.02Å; Y802-M805 HydrophobicContact CE1-CE 4.46Å; Y802-M805 PolarHBondContact O-N 2.91Å; Y802-Y806 WeakPolarHBondContact O-CB 3.4Å; Y802-Y806 PolarHBondContact O-N 3.15Å |
| 803 | I | 89.6 | Confident | 86.3 | Confident | 85 Ų | 85 | 108.7 Ų | 108.7 | 44% | 0.436 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 175.8 | -69 | 164.4 | 0 | 0 | 0 | 111 | Q799 A800 H801 M805 Y806 Q807 | Q799-I803 HydrophobicContact CG-CD1 4.15Å; Q799-I803 VanDerWaalsContact O-CG1 3.29Å; Q799-I803 WeakPolarHBondContact O-CG1 3.28Å; Q799-I803 PolarHBondContact O-N 2.85Å; A800-I803 PolarHBondContact O-N 3.34Å; H801-I803 PolarHBondContact O-N 2.7Å; I803-M805 PolarHBondContact O-N 3.04Å; I803-Y806 PolarHBondContact O-N 3.29Å; I803-Q807 HydrophobicContact CG2-CG 4.41Å; I803-Q807 WeakPolarHBondContact O-CB 3.35Å; I803-Q807 VanDerWaalsContact O-CG 3.28Å; I803-Q807 WeakPolarHBondContact O-CG 3.34Å; I803-Q807 PolarHBondContact O-N 2.88Å |
| 804 | Q | 86.4 | Confident | 85.7 | Confident | 129 Ų | 129 | 110.7 Ų | 110.7 | 60% | 0.603 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.1 | -39.3 | 177.6 | -172.4 | -177.5 | 11.1 | 0 | 0 | 111.9 | A800 H801 Q807 K808 | A800-Q804 WeakPolarHBondContact O-CB 3.44Å; A800-Q804 PolarHBondContact O-N 3.39Å; H801-Q804 PolarHBondContact O-N 3.32Å; Q804-Q807 PolarHBondContact O-N 3.07Å; Q804-K808 WeakPolarHBondContact O-CB 3.44Å; Q804-K808 PolarHBondContact O-N 3.05Å |
| 805 | M | 89.6 | Confident | 84.8 | Confident | 93 Ų | 93 | 105.8 Ų | 105.8 | 46% | 0.458 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 174.9 | -173.3 | 178.8 | 76.3 | 0 | 0 | 111.3 | H801 Y802 I803 K808 L809 | H801-M805 WeakPolarHBondContact O-CB 3.47Å; H801-M805 PolarHBondContact O-N 3.25Å; Y802-M805 HydrophobicContact CD1-CE 4.02Å; Y802-M805 HydrophobicContact CE1-CE 4.46Å; Y802-M805 PolarHBondContact O-N 2.91Å; I803-M805 PolarHBondContact O-N 3.04Å; M805-K808 PolarHBondContact O-N 3.41Å; M805-L809 WeakPolarHBondContact O-CG 3.48Å; M805-L809 PolarHBondContact O-N 2.83Å |
| 806 | Y | 87.1 | Confident | 83.8 | Confident | 142 Ų | 142 | 102.2 Ų | 102.2 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.7 | -39.7 | 176.4 | -171.3 | -96.5 | 0 | 0 | 0 | 112.6 | Y802 I803 L809 R810 | Y802-Y806 WeakPolarHBondContact O-CB 3.4Å; Y802-Y806 PolarHBondContact O-N 3.15Å; I803-Y806 PolarHBondContact O-N 3.29Å; Y806-L809 PolarHBondContact O-N 3.28Å; Y806-R810 HydrophobicContact CE1-CG 4.3Å; Y806-R810 PolarHBondContact O-N 3.05Å |
| 807 | Q | 87.2 | Confident | 82.3 | Confident | 109 Ų | 109 | 99.2 Ų | 99.2 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 171.6 | -74.3 | 172.8 | -3.4 | 0 | 0 | 111.5 | I803 Q804 L809 R810 C811 | I803-Q807 HydrophobicContact CG2-CG 4.41Å; I803-Q807 WeakPolarHBondContact O-CB 3.35Å; I803-Q807 VanDerWaalsContact O-CG 3.28Å; I803-Q807 WeakPolarHBondContact O-CG 3.34Å; I803-Q807 PolarHBondContact O-N 2.88Å; Q804-Q807 PolarHBondContact O-N 3.07Å; Q807-L809 VanDerWaalsContact C-N 3.35Å; Q807-L809 PolarHBondContact O-N 3.09Å; Q807-R810 PolarHBondContact O-N 3.42Å; Q807-C811 PolarHBondContact O-N 3.46Å; Q807-C811 PolarHBondContact O-SG 2.91Å |
| 808 | K | 84.8 | Confident | 80.9 | Confident | 143 Ų | 143 | 95 Ų | 95 | 62% | 0.622 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -39.7 | 178 | -171.8 | 177 | -179.9 | -177 | 0 | 112 | Q804 M805 C811 L812 | Q804-K808 WeakPolarHBondContact O-CB 3.44Å; Q804-K808 PolarHBondContact O-N 3.05Å; M805-K808 PolarHBondContact O-N 3.41Å; K808-C811 PolarHBondContact O-N 3.22Å; K808-L812 HydrophobicContact CG-CD1 4.34Å; K808-L812 WeakPolarHBondContact O-CG 3.22Å; K808-L812 PolarHBondContact O-N 3.48Å |
| 809 | L | 83.3 | Confident | 79.3 | Confident | 93 Ų | 93 | 96 Ų | 96 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.5 | -50.5 | 172.2 | -72.7 | 164.6 | 0 | 0 | 0 | 110.9 | M805 Y806 Q807 C811 L812 D813 | M805-L809 WeakPolarHBondContact O-CG 3.48Å; M805-L809 PolarHBondContact O-N 2.83Å; Y806-L809 PolarHBondContact O-N 3.28Å; Q807-L809 VanDerWaalsContact C-N 3.35Å; Q807-L809 PolarHBondContact O-N 3.09Å; L809-C811 VanDerWaalsContact C-N 3.29Å; L809-C811 PolarHBondContact O-N 3.3Å; L809-L812 PolarHBondContact O-N 2.88Å; L809-L812 VanDerWaalsContact O-N 3.09Å; L809-D813 PolarHBondContact O-N 3.46Å |
| 810 | R | 82.7 | Confident | 78 | Confident | 159 Ų | 159 | 92.3 Ų | 92.3 | 60% | 0.6 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.1 | -29.7 | 175.9 | -69.3 | -142.7 | -60.8 | 157.9 | -1.2 | 114.5 | Y806 Q807 S814 | Y806-R810 HydrophobicContact CE1-CG 4.3Å; Y806-R810 PolarHBondContact O-N 3.05Å; Q807-R810 PolarHBondContact O-N 3.42Å; R810-S814 VanDerWaalsContact O-CB 3.28Å; R810-S814 WeakPolarHBondContact O-CB 3.44Å; R810-S814 PolarHBondContact O-N 2.85Å; R810-S814 PolarHBondContact O-OG 2.99Å |
| 811 | C | 80.2 | Confident | 76.2 | Confident | 86 Ų | 86 | 96.5 Ų | 96.5 | 58% | 0.581 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72.7 | -35.5 | 173.1 | -69.6 | 0 | 0 | 0 | 0 | 112.1 | Q807 K808 L809 A815 | Q807-C811 PolarHBondContact O-N 3.46Å; Q807-C811 PolarHBondContact O-SG 2.91Å; K808-C811 PolarHBondContact O-N 3.22Å; L809-C811 VanDerWaalsContact C-N 3.29Å; L809-C811 PolarHBondContact O-N 3.3Å; C811-A815 WeakPolarHBondContact O-CB 3.36Å; C811-A815 PolarHBondContact O-N 3.2Å |
| 812 | L | 79.2 | Confident | 74.6 | Confident | 106 Ų | 106 | 95.4 Ų | 95.4 | 56% | 0.555 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.5 | -43.4 | 175.1 | -72.1 | 171.1 | 0 | 0 | 0 | 111.7 | K808 L809 S814 A815 G816 | K808-L812 HydrophobicContact CG-CD1 4.34Å; K808-L812 WeakPolarHBondContact O-CG 3.22Å; K808-L812 PolarHBondContact O-N 3.48Å; L809-L812 PolarHBondContact O-N 2.88Å; L809-L812 VanDerWaalsContact O-N 3.09Å; L812-S814 PolarHBondContact O-N 3.29Å; L812-A815 PolarHBondContact O-N 3.37Å; L812-G816 PolarHBondContact O-N 3.35Å |
| 813 | D | 75.9 | Confident | 72.7 | Confident | 73 Ų | 73 | 96.1 Ų | 96.1 | 39% | 0.39 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 172.7 | -72.8 | -14.4 | 0 | 0 | 0 | 110.6 | R393 L809 A815 G816 A817 | R393-D813 IonicContact CZ-OD2 2.74Å; R393-D813 IonicContact NH1-OD2 3.52Å; R393-D813 PolarHBondContact NH1-OD2 2.94Å; R393-D813 IonicContact NH2-OD1 3.71Å; R393-D813 IonicContact NH2-OD2 3.71Å; L809-D813 PolarHBondContact O-N 3.46Å; D813-A815 PolarHBondContact O-N 3.45Å; D813-G816 PolarHBondContact O-N 3.46Å; D813-A817 PolarHBondContact O-N 3.36Å |
| 814 | S | 75.2 | Confident | 70.9 | Confident | 79 Ų | 79 | 96.1 Ų | 96.1 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.5 | -39.8 | 175 | -60.2 | 0 | 0 | 0 | 0 | 113.1 | R810 L812 A818 | R810-S814 VanDerWaalsContact O-CB 3.28Å; R810-S814 WeakPolarHBondContact O-CB 3.44Å; R810-S814 PolarHBondContact O-N 2.85Å; R810-S814 PolarHBondContact O-OG 2.99Å; L812-S814 PolarHBondContact O-N 3.29Å; S814-A818 WeakPolarHBondContact O-CB 3.33Å; S814-A818 PolarHBondContact O-N 3.34Å |
| 815 | A | 72 | Confident | 69.5 | Low | 49 Ų | 49 | 95.2 Ų | 95.2 | 41% | 0.405 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -72.3 | -37.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C811 L812 D813 A818 V819 | C811-A815 WeakPolarHBondContact O-CB 3.36Å; C811-A815 PolarHBondContact O-N 3.2Å; L812-A815 PolarHBondContact O-N 3.37Å; D813-A815 PolarHBondContact O-N 3.45Å; A815-A818 PolarHBondContact O-N 2.99Å; A815-V819 WeakPolarHBondContact O-CG2 3.37Å; A815-V819 PolarHBondContact O-N 3.05Å |
| 816 | G | 65 | Low | 67.7 | Low | 48 Ų | 48 | 95.1 Ų | 95.1 | 50% | 0.495 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.3 | -46 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L812 D813 A818 V819 G820 | L812-G816 PolarHBondContact O-N 3.35Å; D813-G816 PolarHBondContact O-N 3.46Å; G816-A818 VanDerWaalsContact C-N 3.33Å; G816-A818 PolarHBondContact O-N 3.11Å; G816-V819 PolarHBondContact O-N 3.18Å; G816-G820 PolarHBondContact O-N 3Å |
| 817 | A | 60.2 | Low | 65.8 | Low | 64 Ų | 64 | 91.8 Ų | 91.8 | 53% | 0.529 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.5 | -39.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D813 Q821 | D813-A817 PolarHBondContact O-N 3.36Å; A817-Q821 PolarHBondContact O-N 3.42Å |
| 818 | A | 59.3 | Low | 63.5 | Low | 49 Ų | 49 | 97.3 Ų | 97.3 | 41% | 0.405 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.6 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | S814 A815 G816 Q821 V822 | S814-A818 WeakPolarHBondContact O-CB 3.33Å; S814-A818 PolarHBondContact O-N 3.34Å; A815-A818 PolarHBondContact O-N 2.99Å; G816-A818 VanDerWaalsContact C-N 3.33Å; G816-A818 PolarHBondContact O-N 3.11Å; A818-Q821 PolarHBondContact O-N 3.01Å; A818-V822 WeakPolarHBondContact O-CG2 3.43Å; A818-V822 PolarHBondContact O-N 3.18Å |
| 819 | V | 58.2 | Low | 62.4 | Low | 86 Ų | 86 | 95 Ų | 95 | 52% | 0.521 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.1 | -42.3 | 175.9 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | A815 G816 Q821 V822 E823 | A815-V819 WeakPolarHBondContact O-CG2 3.37Å; A815-V819 PolarHBondContact O-N 3.05Å; G816-V819 PolarHBondContact O-N 3.18Å; V819-Q821 VanDerWaalsContact C-N 3.25Å; V819-Q821 PolarHBondContact O-N 3.28Å; V819-V822 PolarHBondContact O-N 2.89Å; V819-E823 PolarHBondContact O-N 3.3Å |
| 820 | G | 56.5 | Low | 61.3 | Low | 43 Ų | 43 | 95.1 Ų | 95.1 | 44% | 0.443 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.5 | -32.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G816 A824 | G816-G820 PolarHBondContact O-N 3Å; G820-A824 WeakPolarHBondContact O-CB 3.39Å; G820-A824 PolarHBondContact O-N 3.16Å |
| 821 | Q | 51.5 | Low | 60.1 | Low | 144 Ų | 144 | 91.6 Ų | 91.6 | 67% | 0.673 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -77.2 | -30.6 | 172.4 | -72.9 | -172.3 | -9.3 | 0 | 0 | 113.8 | A817 A818 V819 T825 | A817-Q821 PolarHBondContact O-N 3.42Å; A818-Q821 PolarHBondContact O-N 3.01Å; V819-Q821 VanDerWaalsContact C-N 3.25Å; V819-Q821 PolarHBondContact O-N 3.28Å; Q821-T825 WeakPolarHBondContact O-CG2 3.34Å; Q821-T825 PolarHBondContact O-N 3.16Å; Q821-T825 PolarHBondContact O-OG1 3.34Å |
| 822 | V | 53.6 | Low | 58.9 | Low | 87 Ų | 87 | 91.9 Ų | 91.9 | 53% | 0.527 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -74.4 | -38.8 | 178.1 | 173 | 0 | 0 | 0 | 0 | 111.7 | A818 V819 T825 S826 | A818-V822 WeakPolarHBondContact O-CG2 3.43Å; A818-V822 PolarHBondContact O-N 3.18Å; V819-V822 PolarHBondContact O-N 2.89Å; V822-T825 WeakPolarHBondContact CA-OG1 3.4Å; V822-T825 PolarHBondContact O-N 3.47Å; V822-T825 PolarHBondContact O-OG1 3.17Å; V822-S826 WeakPolarHBondContact O-CB 3.45Å; V822-S826 PolarHBondContact O-N 3.21Å; V822-S826 VanDerWaalsContact O-N 3.16Å; V822-S826 PolarHBondContact O-OG 2.77Å |
| 823 | E | 49.3 | Very low | 57.7 | Low | 151 Ų | 151 | 91 Ų | 91 | 71% | 0.706 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.3 | -40.8 | 172 | -69.4 | -168.4 | 132.5 | 0 | 0 | 111.2 | V819 T825 S826 | V819-E823 PolarHBondContact O-N 3.3Å; E823-T825 PolarHBondContact O-N 3.23Å; E823-S826 PolarHBondContact O-N 2.73Å |
| 824 | A | 52.6 | Low | 56.4 | Low | 86 Ų | 86 | 92.2 Ų | 92.2 | 71% | 0.711 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -13.7 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | G820 | G820-A824 WeakPolarHBondContact O-CB 3.39Å; G820-A824 PolarHBondContact O-N 3.16Å |
| 825 | T | 56.6 | Low | 55.1 | Low | 109 Ų | 109 | 93.1 Ų | 93.1 | 67% | 0.669 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | -5.2 | 179.8 | 47.8 | 0 | 0 | 0 | 0 | 113.9 | Q821 V822 E823 | Q821-T825 WeakPolarHBondContact O-CG2 3.34Å; Q821-T825 PolarHBondContact O-N 3.16Å; Q821-T825 PolarHBondContact O-OG1 3.34Å; V822-T825 WeakPolarHBondContact CA-OG1 3.4Å; V822-T825 PolarHBondContact O-N 3.47Å; V822-T825 PolarHBondContact O-OG1 3.17Å; E823-T825 PolarHBondContact O-N 3.23Å |
| 826 | S | 50.9 | Low | 53.8 | Low | 91 Ų | 91 | 96.5 Ų | 96.5 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -108.2 | 7.1 | -177.4 | -53.7 | 0 | 0 | 0 | 0 | 113.8 | V822 E823 | V822-S826 WeakPolarHBondContact O-CB 3.45Å; V822-S826 PolarHBondContact O-N 3.21Å; V822-S826 VanDerWaalsContact O-N 3.16Å; V822-S826 PolarHBondContact O-OG 2.77Å; E823-S826 PolarHBondContact O-N 2.73Å |
| 827 | G | 47.5 | Very low | 52.9 | Low | 73 Ų | 73 | 100.6 Ų | 100.6 | 75% | 0.753 | 65% | 0.648 | S | S | * | * | trans | -113.4 | 23.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 828 | N | 38.5 | Very low | 52.2 | Low | 224 Ų | 224 | 103.9 Ų | 103.9 | 100% | 1.198 | 66% | 0.658 | S | S | * | * | trans | -146.1 | 0 | -174.9 | -176.1 | 99.2 | 0 | 0 | 0 | 112.5 |
Retrieved 828 of 828 residues in 208.5 ms
(Link to these results)