| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.5 | Very low | 38.9 | Very low | 252 Ų | 252 | 139.4 Ų | 139.4 | 100% | 1.241 | 82% | 0.817 | S | S | * | * | 0 | 175.7 | 0 | -70.5 | -174 | 178.2 | 0 | 0 | 108.7 | |||||
| 2 | A | 33.8 | Very low | 38.3 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -86.9 | 174.2 | -159.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 3 | L | 45.7 | Very low | 39.2 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -61.6 | 161.5 | 168 | -67 | 150 | 0 | 0 | 0 | 113 | ||||
| 4 | V | 38.3 | Very low | 38.7 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | 169.5 | 128 | 136.8 | 149.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 5 | Q | 36.9 | Very low | 38.5 | Very low | 151 Ų | 151 | 140 Ų | 140 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | cis | 102.3 | 94.5 | 16.5 | -163.4 | -178.6 | 8.3 | 0 | 0 | 115.3 | ||||
| 6 | T | 39.5 | Very low | 39.1 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | 59.6 | 148.9 | 151.3 | 62.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 7 | L | 36.6 | Very low | 38.7 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | 178.3 | 163.4 | 112 | -86.6 | 168.2 | 0 | 0 | 0 | 111 | |||||
| 8 | P | 59 | Low | 38.6 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | trans | -142.8 | -152.9 | -152.1 | 35.7 | -10 | 0 | 0 | 0 | 115.7 | ||||
| 9 | I | 36.5 | Very low | 38.4 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | 94 | 127.6 | 149.4 | -78.5 | 164.7 | 0 | 0 | 0 | 121 | ||||
| 10 | S | 32.5 | Very low | 37.9 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | 42 | 159.8 | 145 | -53.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 11 | A | 30.2 | Very low | 37.6 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | cis | -157.8 | 173.2 | 27.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 12 | E | 31.2 | Very low | 37.6 | Very low | 180 Ų | 180 | 124 Ų | 124 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | trans | -73.1 | -167.5 | 159.7 | -115.5 | -165.5 | 128.8 | 0 | 0 | 111.7 | ||||
| 13 | P | 50.2 | Low | 37.7 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 51% | 0.513 | 77% | 0.768 | S | S | . | * | cis | -137.3 | -170.7 | -4.8 | 17.3 | 11.1 | 0 | 0 | 0 | 115.9 | ||||
| 14 | H | 32.5 | Very low | 37.3 | Very low | 177 Ų | 177 | 129.8 Ų | 129.8 | 82% | 0.819 | 76% | 0.759 | S | S | * | * | trans | 118.5 | 140.9 | 143.4 | -61.3 | -56.8 | 0 | 0 | 0 | 120.2 | ||||
| 15 | T | 35 | Very low | 37.4 | Very low | 131 Ų | 131 | 131.9 Ų | 131.9 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | trans | -118.3 | 164.2 | 174.4 | 58.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 16 | P | 49.1 | Very low | 37.5 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | -155 | 123 | 107.5 | 35.2 | -14.8 | 0 | 0 | 0 | 118.3 | |||||
| 17 | S | 32.2 | Very low | 37.6 | Very low | 87 Ų | 87 | 134.1 Ų | 134.1 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | 40.2 | 140.7 | 127.6 | 73.3 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 18 | H | 37.2 | Very low | 37.6 | Very low | 181 Ų | 181 | 131.5 Ų | 131.5 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | 82 | 152.1 | 146.7 | -59.9 | -41.6 | 0 | 0 | 0 | 119.9 | ||||
| 19 | S | 33.9 | Very low | 36.4 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | cis | -159.9 | 160.8 | 5.3 | -136.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 20 | G | 29.4 | Very low | 37.6 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | 88.1 | 134 | 155.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 21 | G | 31.6 | Very low | 38.1 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | cis | 97.9 | 142.7 | -11.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 22 | A | 39 | Very low | 39.3 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | cis | -170.3 | 161.7 | -14.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 23 | R | 34.6 | Very low | 40.5 | Very low | 213 Ų | 213 | 125.4 Ų | 125.4 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | -150 | 118.5 | 171.8 | -89.8 | -161.1 | 171.9 | -142.3 | 1.1 | 117.8 | ||||
| 24 | R | 38.6 | Very low | 39.7 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 65% | 0.645 | 75% | 0.749 | S | S | * | * | 64.1 | 143 | 127.7 | -60 | -172.9 | -173.1 | -115.1 | -0.8 | 120.3 | |||||
| 25 | R | 38.8 | Very low | 39.7 | Very low | 178 Ų | 178 | 128.8 Ų | 128.8 | 67% | 0.672 | 75% | 0.749 | S | S | * | * | cis | -165.3 | 136.6 | 1.6 | -123 | -174.1 | 161.2 | -178.3 | -9.8 | 114.5 | ||||
| 26 | H | 41 | Very low | 39.7 | Very low | 138 Ų | 138 | 129.7 Ų | 129.7 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | trans | 61.2 | 146.4 | 145.3 | -61.8 | -28.3 | 0 | 0 | 0 | 120.6 | ||||
| 27 | Q | 40.3 | Very low | 39.7 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | cis | -161.5 | -175.7 | 1.8 | -123 | -164.3 | 123.6 | 0 | 0 | 109.5 | ||||
| 28 | S | 37.6 | Very low | 41.1 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | cis | -145.6 | -86.1 | 1.7 | 46.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 29 | G | 33.3 | Very low | 41.7 | Very low | 55 Ų | 55 | 128.2 Ų | 128.2 | 57% | 0.567 | 75% | 0.753 | S | S | * | * | trans | 132.8 | -168.5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 30 | P | 62.2 | Low | 42.1 | Very low | 126 Ų | 126 | 130 Ų | 130 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | cis | -96 | -148.7 | 7.8 | 42.3 | -37.7 | 0 | 0 | 0 | 111.9 | ||||
| 31 | S | 42.3 | Very low | 42.4 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | cis | -155.5 | 170.9 | 11.2 | -124.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 32 | P | 56.2 | Low | 42.6 | Very low | 111 Ų | 111 | 137.2 Ų | 137.2 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | trans | -131 | -160 | -162.6 | 45 | -29 | 0 | 0 | 0 | 114.6 | ||||
| 33 | P | 54.5 | Low | 43.1 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | cis | -127.9 | -175.3 | -46.6 | 27.6 | -6.8 | 0 | 0 | 0 | 112.7 | ||||
| 34 | I | 34.8 | Very low | 43.1 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | 171.8 | 125.6 | 122.6 | -89.7 | 163.2 | 0 | 0 | 0 | 114 | |||||
| 35 | H | 32.5 | Very low | 42.9 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | trans | 56 | 151.4 | 155.1 | -81.7 | -92.2 | 0 | 0 | 0 | 126.2 | ||||
| 36 | L | 33.6 | Very low | 42.9 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -156 | 175.2 | -175.2 | -88.1 | 164.8 | 0 | 0 | 0 | 106.3 | ||||
| 37 | P | 50.6 | Low | 42.5 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | -113.3 | -94.8 | -52.2 | 19.3 | -0.6 | 0 | 0 | 0 | 117.3 | |||||
| 38 | P | 60.2 | Low | 42.1 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | trans | -108.7 | -171.6 | -132.1 | 42.6 | -27 | 0 | 0 | 0 | 113.7 | ||||
| 39 | P | 51.2 | Low | 42.1 | Very low | 125 Ų | 125 | 121.7 Ų | 121.7 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | cis | -145 | -153.8 | 20 | 46.4 | -24.1 | 0 | 0 | 0 | 117.2 | ||||
| 40 | I | 42.5 | Very low | 42.5 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -75.1 | 144.6 | 177.5 | -61.6 | 157.5 | 0 | 0 | 0 | 112.4 | ||||
| 41 | L | 35.8 | Very low | 41.2 | Very low | 163 Ų | 163 | 125.7 Ų | 125.7 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | 175.4 | 152.2 | 138.3 | -96.8 | 160.9 | 0 | 0 | 0 | 112.9 | ||||
| 42 | D | 35.7 | Very low | 40.7 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | -77.2 | -174 | 165.3 | -54 | -74.2 | 0 | 0 | 0 | 111 | ||||
| 43 | P | 47.9 | Very low | 39.5 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | cis | -146.9 | -172.6 | 4.5 | 43.3 | -22 | 0 | 0 | 0 | 118.1 | ||||
| 44 | M | 34.8 | Very low | 38.5 | Very low | 171 Ų | 171 | 133 Ų | 133 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | 71.2 | 136.7 | 141.7 | -87 | 179.9 | 66.9 | 0 | 0 | 125.3 | ||||
| 45 | G | 35.6 | Very low | 39.2 | Very low | 68 Ų | 68 | 131.9 Ų | 131.9 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -173.4 | 116.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 46 | S | 37.5 | Very low | 39.2 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | 63.7 | 125.9 | 61.4 | -61.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 47 | G | 33.6 | Very low | 40.2 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | 160.2 | 173.3 | -2.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 48 | S | 31 | Very low | 39.2 | Very low | 117 Ų | 117 | 131.4 Ų | 131.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | cis | -174.2 | 152 | -14.7 | -170.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 49 | S | 38 | Very low | 37.8 | Very low | 104 Ų | 104 | 135 Ų | 135 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 73.2 | 164.4 | 156.9 | -134.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 50 | L | 42.1 | Very low | 36.8 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | cis | -143.1 | 158.3 | 16.4 | -83 | 164 | 0 | 0 | 0 | 114.7 | ||||
| 51 | V | 35.5 | Very low | 36.3 | Very low | 115 Ų | 115 | 133 Ų | 133 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | trans | -14.3 | 150.1 | 148.8 | -134.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 52 | T | 31.1 | Very low | 36.1 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | -176.6 | 160.8 | 56.4 | -38.4 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 53 | T | 30.1 | Very low | 35.8 | Very low | 137 Ų | 137 | 135 Ų | 135 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | 88.4 | 151.6 | 149.4 | 8.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 54 | R | 35.3 | Very low | 35 | Very low | 225 Ų | 225 | 134 Ų | 134 | 85% | 0.849 | 78% | 0.777 | S | S | * | * | trans | -115.5 | 163.4 | -177.8 | -141.9 | -178.3 | -166 | 179.4 | 5.2 | 108.6 | ||||
| 55 | P | 47.8 | Very low | 34.8 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | -148.5 | 178 | 91.4 | 38.1 | -20.2 | 0 | 0 | 0 | 116.1 | |||||
| 56 | N | 32.7 | Very low | 34.5 | Very low | 124 Ų | 124 | 136 Ų | 136 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | trans | -98 | 164.3 | 171.9 | -155.1 | 17.8 | 0 | 0 | 0 | 108.8 | ||||
| 57 | P | 54.6 | Low | 34.3 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | -156.9 | 158.2 | 75.9 | 40.2 | -18.9 | 0 | 0 | 0 | 119.8 | |||||
| 58 | Y | 29.4 | Very low | 34 | Very low | 201 Ų | 201 | 138.7 Ų | 138.7 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | 20.8 | 124.9 | 142.3 | -72.8 | -92.7 | 0 | 0 | 0 | 123.8 | ||||
| 59 | Q | 31.1 | Very low | 34.1 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | 174.4 | 140 | 105.9 | -90.4 | 178.7 | 3.2 | 0 | 0 | 107.7 | |||||
| 60 | D | 31.2 | Very low | 33.8 | Very low | 155 Ų | 155 | 143.6 Ų | 143.6 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | cis | 107.5 | 161.7 | 31.6 | -162.6 | 17.4 | 0 | 0 | 0 | 111.9 | ||||
| 61 | A | 31.4 | Very low | 33.1 | Very low | 82 Ų | 82 | 140 Ų | 140 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | 82.4 | 87.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 62 | R | 30.9 | Very low | 32.8 | Very low | 233 Ų | 233 | 146.6 Ų | 146.6 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | 33.5 | 149.1 | 123.2 | -61.3 | -177.8 | 174.9 | -162.9 | -1.6 | 122.9 | |||||
| 63 | S | 30.8 | Very low | 33.1 | Very low | 117 Ų | 117 | 151.8 Ų | 151.8 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 70.1 | 153.3 | 145.5 | 54 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 64 | A | 29.7 | Very low | 33.5 | Very low | 85 Ų | 85 | 150.8 Ų | 150.8 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | cis | -169.7 | 175.8 | -23.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 65 | V | 30.5 | Very low | 33.3 | Very low | 123 Ų | 123 | 145.9 Ų | 145.9 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | trans | 74.7 | 121.8 | 146.8 | 154.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 66 | E | 30 | Very low | 33.2 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | 66.6 | 126.7 | 143.7 | -69.1 | -175 | 138.2 | 0 | 0 | 125.7 | ||||
| 67 | L | 33 | Very low | 33.1 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | 41 | 112 | 126.3 | -57.9 | 168.2 | 0 | 0 | 0 | 120.1 | |||||
| 68 | G | 27.9 | Very low | 32.1 | Very low | 83 Ų | 83 | 142.9 Ų | 142.9 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -157.1 | 101.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 69 | G | 33.2 | Very low | 32.3 | Very low | 68 Ų | 68 | 138.5 Ų | 138.5 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -91.1 | 177.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 70 | R | 31.2 | Very low | 32.2 | Very low | 257 Ų | 257 | 135.2 Ų | 135.2 | 97% | 0.97 | 80% | 0.799 | S | S | * | * | trans | 75.9 | 130.3 | -170.5 | -44.8 | 170.3 | -163.8 | -78.5 | 1 | 112.3 | ||||
| 71 | G | 28.1 | Very low | 32.4 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | cis | 130.3 | 129.2 | -6.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 72 | R | 29.8 | Very low | 32.2 | Very low | 255 Ų | 255 | 136 Ų | 136 | 96% | 0.962 | 81% | 0.808 | S | S | * | * | trans | -156.6 | 136.1 | 172.2 | -112.2 | 173.7 | -169.4 | -94.9 | 2.7 | 115 | ||||
| 73 | R | 35.6 | Very low | 32.3 | Very low | 224 Ų | 224 | 130.3 Ų | 130.3 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -74.1 | 153.5 | 155.6 | 165.9 | -167.4 | -74.2 | -165 | -2.2 | 108.1 | ||||
| 74 | P | 40 | Very low | 32.2 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | cis | -143.6 | 174.9 | 44.5 | 25.2 | 2 | 0 | 0 | 0 | 120.7 | ||||
| 75 | T | 30.6 | Very low | 32.3 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | -41.3 | 179.7 | 150.9 | 36.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 76 | P | 46.4 | Very low | 33.1 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | cis | -139.5 | 177.7 | -12.8 | 30.5 | -8.1 | 0 | 0 | 0 | 117.4 | ||||
| 77 | G | 30 | Very low | 33.2 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | 173.3 | 127.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 78 | A | 34.2 | Very low | 32.9 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | cis | 74.4 | 122.2 | 46.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 79 | S | 32.7 | Very low | 33.9 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | cis | -152 | 170.2 | -5.7 | -66.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 80 | C | 28.7 | Very low | 33.8 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | 164.7 | -177.8 | 81.6 | -112.2 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 81 | L | 35.3 | Very low | 33.8 | Very low | 180 Ų | 180 | 135 Ų | 135 | 94% | 0.942 | 79% | 0.788 | S | S | * | * | trans | 73 | 138.6 | -176 | -47.1 | 178.7 | 0 | 0 | 0 | 114.1 | ||||
| 82 | G | 27.7 | Very low | 34 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | cis | 173.8 | 126.9 | -7.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 83 | S | 33.6 | Very low | 33.9 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -53.5 | 163.3 | 179.1 | -48.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 84 | E | 28.3 | Very low | 33.8 | Very low | 188 Ų | 188 | 128.3 Ų | 128.3 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | cis | -158.1 | 171.4 | 27.2 | -150.5 | 150.3 | -148 | 0 | 0 | 112.8 | ||||
| 85 | S | 30.6 | Very low | 33.9 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | trans | -126.6 | 167.9 | 173.6 | -170.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 86 | P | 49.3 | Very low | 34.7 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | -158.6 | 163.5 | 96.9 | 42.3 | -23.4 | 0 | 0 | 0 | 118.3 | |||||
| 87 | R | 31.5 | Very low | 34.4 | Very low | 230 Ų | 230 | 127.5 Ų | 127.5 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | trans | 89.6 | 83.3 | 153.9 | -44.3 | -156.1 | 176.4 | 161 | 2.3 | 120.4 | ||||
| 88 | D | 26.5 | Very low | 34.3 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | -17.8 | 157.1 | 121.7 | -110.4 | -47.1 | 0 | 0 | 0 | 116.3 | |||||
| 89 | P | 49.2 | Very low | 34.2 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | -151.9 | 149.5 | 60.1 | 37.8 | -16.3 | 0 | 0 | 0 | 120.6 | |||||
| 90 | L | 31.2 | Very low | 34 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 69.4 | 138.1 | 138.4 | -68.9 | 171.9 | 0 | 0 | 0 | 118.2 | ||||
| 91 | L | 31.6 | Very low | 33.9 | Very low | 134 Ų | 134 | 143 Ų | 143 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | cis | -154.5 | -179.7 | 3.4 | -75.6 | 130.1 | 0 | 0 | 0 | 107.5 | ||||
| 92 | Q | 30.4 | Very low | 33.6 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | cis | -160.5 | 174.3 | -2.4 | -135.2 | 178.9 | 12.8 | 0 | 0 | 112.2 | ||||
| 93 | N | 28.7 | Very low | 33.5 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | trans | 63.5 | 116.6 | 146.9 | -61.8 | -20.6 | 0 | 0 | 0 | 123 | ||||
| 94 | V | 32.8 | Very low | 33.2 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | -133.8 | 163 | 150.9 | -146.6 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 95 | P | 43.2 | Very low | 33.1 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | cis | -135.3 | -137.9 | 13 | 44.7 | -22.2 | 0 | 0 | 0 | 110.7 | ||||
| 96 | P | 46.1 | Very low | 33 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | cis | -128.2 | 174.2 | -23 | 34.6 | -15.2 | 0 | 0 | 0 | 115.3 | ||||
| 97 | P | 40.5 | Very low | 32.2 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -87 | 167.8 | 178.6 | 35.8 | -37.3 | 0 | 0 | 0 | 114.8 | ||||
| 98 | K | 29.2 | Very low | 32 | Very low | 213 Ų | 213 | 137.1 Ų | 137.1 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | trans | -104.3 | 145.7 | 171.1 | -75.4 | -175.5 | 176.2 | 178.3 | 0 | 112.5 | ||||
| 99 | K | 31.5 | Very low | 32.3 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 81% | 0.809 | 77% | 0.772 | S | S | * | * | trans | -108.4 | 147.9 | 171.2 | -63.9 | 179.3 | 178.5 | 179.9 | 0 | 111.1 | ||||
| 100 | Q | 28 | Very low | 31.4 | Very low | 192 Ų | 192 | 140.3 Ų | 140.3 | 90% | 0.897 | 77% | 0.774 | S | S | * | * | trans | -160 | 112.2 | 144.9 | -102.1 | 161.2 | -5.1 | 0 | 0 | 105 | ||||
| 101 | N | 26.5 | Very low | 31.5 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | 79 | 125.8 | 54.9 | -78.2 | 19.8 | 0 | 0 | 0 | 114.5 | |||||
| 102 | S | 28.4 | Very low | 31.5 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 76.2 | 149.9 | 160.3 | -53.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 103 | T | 25.6 | Very low | 31.5 | Very low | 120 Ų | 120 | 140 Ų | 140 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | cis | -153.1 | 137.3 | 9.6 | -15.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 104 | T | 27.3 | Very low | 31.5 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 27.2 | 125.5 | 146.4 | 57.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 105 | S | 28.2 | Very low | 31.4 | Very low | 124 Ų | 124 | 145.5 Ų | 145.5 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | 167.7 | 150.7 | 117.1 | -166.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 106 | G | 28.3 | Very low | 30.9 | Very low | 57 Ų | 57 | 143.6 Ų | 143.6 | 59% | 0.588 | 78% | 0.781 | S | S | * | * | cis | 151.9 | 110.1 | -11.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 107 | R | 31.2 | Very low | 30.1 | Very low | 262 Ų | 262 | 146.1 Ų | 146.1 | 99% | 0.989 | 79% | 0.788 | S | S | * | * | trans | 71.3 | 154.3 | -177.1 | -51 | 174.4 | -140.2 | -96.5 | -4 | 114.9 | ||||
| 108 | G | 27.6 | Very low | 29.8 | Very low | 66 Ų | 66 | 151.5 Ų | 151.5 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | cis | -132.1 | 163.6 | -10 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 109 | L | 33.4 | Very low | 29.8 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | 54.5 | 125.6 | 66.7 | -110.3 | 75.6 | 0 | 0 | 0 | 112.4 | |||||
| 110 | E | 29.7 | Very low | 29.9 | Very low | 157 Ų | 157 | 148 Ų | 148 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | cis | -143.6 | 170.1 | 20.4 | -50.4 | -165.9 | 111 | 0 | 0 | 115.7 | ||||
| 111 | K | 33.6 | Very low | 30.2 | Very low | 161 Ų | 161 | 145.5 Ų | 145.5 | 70% | 0.7 | 78% | 0.777 | S | S | * | * | trans | 27.7 | 145.8 | 135 | -75.7 | 173.5 | 165.8 | -83.2 | 0 | 121.8 | ||||
| 112 | E | 31.8 | Very low | 30.3 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | cis | -168.4 | -178.1 | -10.3 | -143.5 | 165.1 | 170.7 | 0 | 0 | 111 | ||||
| 113 | C | 29.5 | Very low | 30.7 | Very low | 107 Ų | 107 | 147.6 Ų | 147.6 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | trans | 66.1 | 85 | 157 | -70.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 114 | R | 29.6 | Very low | 31.1 | Very low | 230 Ų | 230 | 148.4 Ų | 148.4 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | 41.5 | 110.2 | 111.4 | -174.5 | -153.4 | -107.1 | -153.5 | -2.7 | 118.2 | |||||
| 115 | N | 30 | Very low | 31.5 | Very low | 157 Ų | 157 | 153.3 Ų | 153.3 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | -158.5 | 144.3 | 112.3 | -109.3 | -4.7 | 0 | 0 | 0 | 110.9 | |||||
| 116 | G | 32.6 | Very low | 31.8 | Very low | 71 Ų | 71 | 153.9 Ų | 153.9 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | trans | -103.4 | 146.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 117 | N | 29.5 | Very low | 32.1 | Very low | 163 Ų | 163 | 154.1 Ų | 154.1 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -141.7 | 138.3 | 159.6 | -118.6 | -9.1 | 0 | 0 | 0 | 108.1 | ||||
| 118 | Y | 33.7 | Very low | 32 | Very low | 240 Ų | 240 | 148.3 Ų | 148.3 | 94% | 0.941 | 77% | 0.768 | S | S | * | * | trans | -74 | 128.5 | 174.4 | -98.1 | -110 | 0 | 0 | 0 | 109.5 | ||||
| 119 | T | 30.3 | Very low | 32.2 | Very low | 116 Ų | 116 | 156.9 Ų | 156.9 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | -124.6 | 123.9 | 164.9 | -55.4 | 0 | 0 | 0 | 0 | 108.3 | L121 | T119-L121 PolarHBondContact O-N 3.31Š| ||
| 120 | Y | 33 | Very low | 32 | Very low | 210 Ų | 210 | 156.2 Ų | 156.2 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -83.9 | 99.3 | -178.6 | -168.9 | -90.1 | 0 | 0 | 0 | 108.9 | N122 | Y120-N122 HydrophobicContact CD1-CB 4.38Å; Y120-N122 HydrophobicContact CE1-CB 4.06Å | ||
| 121 | L | 33.9 | Very low | 32 | Very low | 138 Ų | 138 | 155.2 Ų | 155.2 | 72% | 0.723 | 78% | 0.777 | S | S | * | * | trans | -93.4 | 113 | 171.4 | -72 | 176.2 | 0 | 0 | 0 | 109.3 | T119 | T119-L121 PolarHBondContact O-N 3.31Š| ||
| 122 | N | 29.1 | Very low | 31.8 | Very low | 114 Ų | 114 | 154.2 Ų | 154.2 | 61% | 0.61 | 78% | 0.78 | S | S | * | * | trans | -112.7 | 96.4 | 166.3 | -169 | 78 | 0 | 0 | 0 | 106 | Y120 | Y120-N122 HydrophobicContact CD1-CB 4.38Å; Y120-N122 HydrophobicContact CE1-CB 4.06Å | ||
| 123 | E | 36.9 | Very low | 31.8 | Very low | 170 Ų | 170 | 155.7 Ų | 155.7 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -88.9 | 111.2 | -178.2 | -67.6 | -173.5 | 145.8 | 0 | 0 | 110 | Y125 | E123-Y125 PolarHBondContact O-N 2.68Š| ||
| 124 | D | 34.7 | Very low | 31.8 | Very low | 138 Ų | 138 | 156.9 Ų | 156.9 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | -73.5 | 123.4 | 174.5 | -75.1 | -55.1 | 0 | 0 | 0 | 110.8 | V126 | D124-V126 PolarHBondContact O-N 3.07Å; D124-V126 VanDerWaalsContact O-N 3.11Å | ||
| 125 | Y | 34.7 | Very low | 31.9 | Very low | 231 Ų | 231 | 156.5 Ų | 156.5 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -84.9 | 86 | -169.5 | -162.9 | -88.5 | 0 | 0 | 0 | 111.9 | E123 | E123-Y125 PolarHBondContact O-N 2.68Š| ||
| 126 | V | 35.2 | Very low | 32.4 | Very low | 137 Ų | 137 | 154.5 Ų | 154.5 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | -106.1 | 93.8 | 171.2 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | D124 D128 | D124-V126 PolarHBondContact O-N 3.07Å; D124-V126 VanDerWaalsContact O-N 3.11Å; V126-D128 PolarHBondContact O-N 3.26Å | ||
| 127 | G | 33.4 | Very low | 32.7 | Very low | 61 Ų | 61 | 157 Ų | 157 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | -86.2 | 102.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 128 | D | 30.3 | Very low | 32.6 | Very low | 140 Ų | 140 | 154.5 Ų | 154.5 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -101.9 | 127.2 | 157.1 | -171 | 13.1 | 0 | 0 | 0 | 108.9 | V126 | V126-D128 PolarHBondContact O-N 3.26Š| ||
| 129 | W | 31.5 | Very low | 32.3 | Very low | 246 Ų | 246 | 151.1 Ų | 151.1 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | trans | -147.4 | 93.2 | -179.5 | -89.6 | 93.6 | 0 | 0 | 0 | 109.4 | ||||
| 130 | N | 29.2 | Very low | 32 | Very low | 149 Ų | 149 | 153.6 Ų | 153.6 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -150.5 | 85.4 | 167.4 | -171.6 | 33.3 | 0 | 0 | 0 | 111.1 | ||||
| 131 | D | 29.7 | Very low | 31.8 | Very low | 136 Ų | 136 | 149.4 Ų | 149.4 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -149.3 | 162 | 151.7 | -136.7 | -28.1 | 0 | 0 | 0 | 114 | ||||
| 132 | N | 29 | Very low | 31.7 | Very low | 140 Ų | 140 | 152 Ų | 152 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -71.2 | 136.4 | -165.1 | -66.6 | -97.5 | 0 | 0 | 0 | 113.3 | ||||
| 133 | L | 32.4 | Very low | 32 | Very low | 175 Ų | 175 | 155 Ų | 155 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -90.4 | 127.9 | 162.1 | -92.2 | 83.1 | 0 | 0 | 0 | 111.5 | ||||
| 134 | V | 29.6 | Very low | 31.8 | Very low | 133 Ų | 133 | 154.7 Ų | 154.7 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | -104.2 | 133.4 | 171.6 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 135 | R | 31.8 | Very low | 31.9 | Very low | 222 Ų | 222 | 155.7 Ų | 155.7 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -47.5 | 137.5 | 172.5 | 165.4 | -172.6 | -56.5 | 169.7 | 2.8 | 113.6 | ||||
| 136 | P | 39.7 | Very low | 31.7 | Very low | 114 Ų | 114 | 150 Ų | 150 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | -154.7 | -179.5 | 97.1 | 41 | -22.2 | 0 | 0 | 0 | 116 | |||||
| 137 | P | 38.8 | Very low | 31.6 | Very low | 124 Ų | 124 | 151 Ų | 151 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | cis | -120.9 | -171 | -9.5 | 26.1 | -3.1 | 0 | 0 | 0 | 114 | ||||
| 138 | S | 27 | Very low | 31.7 | Very low | 110 Ų | 110 | 155.8 Ų | 155.8 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -92.2 | 163.6 | -171.9 | -42 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 139 | L | 27.6 | Very low | 31.7 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -151.7 | 174.3 | 137.8 | -119.3 | 166.1 | 0 | 0 | 0 | 110.1 | ||||
| 140 | E | 25.4 | Very low | 32 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -146 | 142 | -141.4 | 170.4 | 179.5 | -125.1 | 0 | 0 | 111.8 | ||||
| 141 | S | 27.5 | Very low | 32 | Very low | 123 Ų | 123 | 146.5 Ų | 146.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -172.5 | 142.9 | 158.6 | -78.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 142 | E | 31.3 | Very low | 32.6 | Very low | 193 Ų | 193 | 148.3 Ų | 148.3 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -86.6 | 162.8 | 173.6 | -57.4 | 160.1 | 105.4 | 0 | 0 | 112 | ||||
| 143 | L | 35.4 | Very low | 32.8 | Very low | 176 Ų | 176 | 149.7 Ų | 149.7 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -154.2 | 153.4 | 131.3 | -159.2 | 55.6 | 0 | 0 | 0 | 111.2 | ||||
| 144 | E | 34.3 | Very low | 33.1 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | trans | -108.8 | 177.8 | -170.9 | -110.5 | -83.8 | -158.5 | 0 | 0 | 112.9 | ||||
| 145 | E | 36.9 | Very low | 33.6 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | trans | 67.3 | 151.2 | 170.8 | -65.2 | -162.1 | 112.8 | 0 | 0 | 116.1 | ||||
| 146 | T | 30.8 | Very low | 34.2 | Very low | 112 Ų | 112 | 142 Ų | 142 | 69% | 0.687 | 81% | 0.813 | S | S | * | * | cis | -161.9 | 171.5 | 0.5 | 9.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 147 | K | 33 | Very low | 34.7 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | cis | -154.9 | -167.9 | -4.5 | -159.7 | 139.9 | -166.2 | 156 | 0 | 110.6 | ||||
| 148 | E | 33.6 | Very low | 35.6 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | trans | -51.6 | 164.3 | 166.6 | -55.3 | 113.4 | -137.5 | 0 | 0 | 115.2 | ||||
| 149 | G | 31.3 | Very low | 36.9 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | cis | 163 | 175.2 | -4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 150 | L | 37 | Very low | 37.9 | Very low | 191 Ų | 191 | 134.7 Ų | 134.7 | 100% | 1 | 80% | 0.796 | S | S | * | * | trans | 49.8 | 118.1 | 166.7 | -77.7 | 162.9 | 0 | 0 | 0 | 120.5 | ||||
| 151 | G | 29.6 | Very low | 39.3 | Very low | 79 Ų | 79 | 132.4 Ų | 132.4 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | -173.1 | 116.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 152 | L | 42 | Very low | 40.2 | Very low | 174 Ų | 174 | 138 Ų | 138 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -96.8 | 113.1 | 175.5 | -78.8 | 162.3 | 0 | 0 | 0 | 111.5 | ||||
| 153 | N | 32.9 | Very low | 41.1 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | -176.7 | 155.8 | 127.6 | -109 | -53.9 | 0 | 0 | 0 | 112.3 | |||||
| 154 | G | 40.5 | Very low | 41.7 | Very low | 69 Ų | 69 | 135.1 Ų | 135.1 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | -100.8 | 140 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 155 | N | 39.3 | Very low | 42.1 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -155.2 | 78.6 | 154.5 | -165.6 | 5.1 | 0 | 0 | 0 | 110.8 | G157 | N155-G157 VanDerWaalsContact C-N 3.26Å; N155-G157 PolarHBondContact O-N 3.4Å | ||
| 156 | V | 44.3 | Very low | 42.4 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -83.6 | 72 | 179.5 | -172 | 0 | 0 | 0 | 0 | 110.1 | G158 | V156-G158 VanDerWaalsContact C-N 3.32Å; V156-G158 PolarHBondContact O-N 3Å; V156-G158 VanDerWaalsContact O-N 3.07Å | ||
| 157 | G | 49.9 | Very low | 43 | Very low | 77 Ų | 77 | 132 Ų | 132 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -77.1 | 76.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | N155 | N155-G157 VanDerWaalsContact C-N 3.26Å; N155-G157 PolarHBondContact O-N 3.4Å | ||
| 158 | G | 59.2 | Low | 43.5 | Very low | 48 Ų | 48 | 127.5 Ų | 127.5 | 50% | 0.495 | 79% | 0.794 | S | S | . | * | S | Bend | trans | -159.1 | 149.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V156 | V156-G158 VanDerWaalsContact C-N 3.32Å; V156-G158 PolarHBondContact O-N 3Å; V156-G158 VanDerWaalsContact O-N 3.07Å |
| 159 | P | 53.5 | Low | 44.2 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 148.2 | 176.7 | 29.5 | -34.8 | 0 | 0 | 0 | 111 | ||
| 160 | P | 47.4 | Very low | 44.6 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 145.7 | -179.6 | 26.1 | -34.6 | 0 | 0 | 0 | 111.6 | R162 | P160-R162 PolarHBondContact O-N 2.73Š|
| 161 | P | 55.2 | Low | 45.3 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 135.3 | -177.8 | 25.8 | -34.2 | 0 | 0 | 0 | 111.2 | L163 | P161-L163 PolarHBondContact O-N 3.47Š|
| 162 | R | 46.5 | Very low | 46.4 | Very low | 242 Ų | 242 | 137.5 Ų | 137.5 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -71.2 | 113.5 | 178.6 | -67.9 | -175.4 | 175.9 | -156.8 | -1.2 | 110.2 | P160 I164 | P160-R162 PolarHBondContact O-N 2.73Å; R162-I164 PolarHBondContact O-N 3.37Å | ||
| 163 | L | 49.8 | Very low | 46.5 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -66.5 | 117.1 | 167.7 | -63.8 | 177.2 | 0 | 0 | 0 | 109.3 | P161 P165 | P161-L163 PolarHBondContact O-N 3.47Å; L163-P165 WeakPolarHBondContact O-CD 3.09Å | ||
| 164 | I | 48.1 | Very low | 46.9 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | -80.3 | 125.3 | 169.6 | -60 | 174.1 | 0 | 0 | 0 | 107.4 | R162 V166 | R162-I164 PolarHBondContact O-N 3.37Å; I164-V166 VanDerWaalsContact C-N 3.33Å; I164-V166 PolarHBondContact O-N 2.82Å | ||
| 165 | P | 43.3 | Very low | 47.4 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -69.3 | 88.6 | 173.7 | -19.3 | 33.6 | 0 | 0 | 0 | 111 | L163 S167 | L163-P165 WeakPolarHBondContact O-CD 3.09Å; P165-S167 VanDerWaalsContact C-N 3.27Å; P165-S167 PolarHBondContact O-N 3.18Å | ||
| 166 | V | 43.5 | Very low | 48.1 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | -72.1 | 87.8 | 168.7 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | I164 G168 | I164-V166 VanDerWaalsContact C-N 3.33Å; I164-V166 PolarHBondContact O-N 2.82Å; V166-G168 PolarHBondContact O-N 2.81Å | ||
| 167 | S | 42.4 | Very low | 48.1 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -64.9 | 108.1 | 178.8 | -166.2 | 0 | 0 | 0 | 0 | 109.7 | P165 | P165-S167 VanDerWaalsContact C-N 3.27Å; P165-S167 PolarHBondContact O-N 3.18Å | ||
| 168 | G | 44.4 | Very low | 47.8 | Very low | 61 Ų | 61 | 143 Ų | 143 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | trans | -63.9 | 143.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V166 L170 | V166-G168 PolarHBondContact O-N 2.81Å; G168-L170 PolarHBondContact O-N 2.78Å; G168-L170 VanDerWaalsContact O-N 3.08Å | ||
| 169 | K | 47.9 | Very low | 47.2 | Very low | 220 Ų | 220 | 148.3 Ų | 148.3 | 96% | 0.957 | 79% | 0.792 | S | S | * | * | trans | -62 | 111.5 | 174 | -65.1 | -179.7 | 179.9 | 179.7 | 0 | 109.2 | ||||
| 170 | L | 40.3 | Very low | 46.8 | Very low | 148 Ų | 148 | 152.6 Ų | 152.6 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -76.9 | 130.6 | 171.9 | -171.1 | 65 | 0 | 0 | 0 | 109.7 | G168 M174 | G168-L170 PolarHBondContact O-N 2.78Å; G168-L170 VanDerWaalsContact O-N 3.08Å; L170-M174 HydrophobicContact CD1-SD 3.99Å; L170-M174 HydrophobicContact CD2-SD 4.4Å; L170-M174 HydrophobicContact CG-SD 4.46Å | ||
| 171 | E | 51.5 | Low | 46.6 | Very low | 147 Ų | 147 | 152.8 Ų | 152.8 | 69% | 0.687 | 79% | 0.793 | S | S | * | * | trans | -76.3 | 145.4 | -176.8 | -156.5 | -170.3 | 133.2 | 0 | 0 | 112.2 | N173 | E171-N173 PolarHBondContact O-N 3.06Å; E171-N173 PolarHBondContact OE1-ND2 2.77Å | ||
| 172 | K | 52.4 | Low | 46 | Very low | 196 Ų | 196 | 153.2 Ų | 153.2 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -80.5 | 50.3 | -169.1 | -161.9 | -172.9 | 176.2 | -177.1 | 0 | 113.5 | ||
| 173 | N | 44.6 | Very low | 45.8 | Very low | 132 Ų | 132 | 146 Ų | 146 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -145 | 35.9 | -170.9 | -83.8 | -49.2 | 0 | 0 | 0 | 115 | E171 | E171-N173 PolarHBondContact O-N 3.06Å; E171-N173 PolarHBondContact OE1-ND2 2.77Å | ||
| 174 | M | 42 | Very low | 45.5 | Very low | 137 Ų | 137 | 148 Ų | 148 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | trans | -114.1 | 11.7 | -177.3 | -63 | -167.5 | 74.9 | 0 | 0 | 116.1 | L170 K176 | L170-M174 HydrophobicContact CD1-SD 3.99Å; L170-M174 HydrophobicContact CD2-SD 4.4Å; L170-M174 HydrophobicContact CG-SD 4.46Å; M174-K176 VanDerWaalsContact C-N 3.26Å; M174-K176 PolarHBondContact O-N 2.64Å | ||
| 175 | E | 50.3 | Low | 45.6 | Very low | 181 Ų | 181 | 150.3 Ų | 150.3 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 62.9 | -178.4 | -66.1 | 178.7 | -166.3 | 0 | 0 | 114 | ||
| 176 | K | 53.9 | Low | 45.5 | Very low | 201 Ų | 201 | 150 Ų | 150 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -163.8 | -13.9 | 161.6 | -107.5 | 133.2 | -162.6 | 165.8 | 0 | 117.6 | M174 | M174-K176 VanDerWaalsContact C-N 3.26Å; M174-K176 PolarHBondContact O-N 2.64Å |
| 177 | T | 43.4 | Very low | 45.4 | Very low | 122 Ų | 122 | 150 Ų | 150 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -108.1 | 93.7 | -174.8 | -49.7 | 0 | 0 | 0 | 0 | 111.9 | L179 | T177-L179 PolarHBondContact O-N 3.22Š| ||
| 178 | V | 43.8 | Very low | 45.6 | Very low | 133 Ų | 133 | 151.6 Ų | 151.6 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | -79.8 | 96.7 | -177.1 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | R180 | V178-R180 PolarHBondContact O-N 2.73Š| ||
| 179 | L | 46.7 | Very low | 45.4 | Very low | 159 Ų | 159 | 154.1 Ų | 154.1 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -83.8 | 100.1 | 162.7 | -73.5 | 171.6 | 0 | 0 | 0 | 109.4 | T177 P181 | T177-L179 PolarHBondContact O-N 3.22Å; L179-P181 WeakPolarHBondContact O-CD 3.37Å | ||
| 180 | R | 45.4 | Very low | 44.9 | Very low | 213 Ų | 213 | 153.6 Ų | 153.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -70.4 | 124.6 | 178 | 176.1 | -174.6 | -74.9 | 150.1 | -6.1 | 110.7 | V178 T182 | V178-R180 PolarHBondContact O-N 2.73Å; R180-T182 PolarHBondContact O-N 3.3Å | ||
| 181 | P | 43.9 | Very low | 44.8 | Very low | 119 Ų | 119 | 152 Ų | 152 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | -66.9 | 123 | 167.6 | -19 | 32.9 | 0 | 0 | 0 | 110.8 | L179 A183 | L179-P181 WeakPolarHBondContact O-CD 3.37Å; P181-A183 PolarHBondContact O-N 3.1Å | ||
| 182 | T | 41.5 | Very low | 44.4 | Very low | 129 Ų | 129 | 156.2 Ų | 156.2 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -79.9 | 97 | 175 | -58.8 | 0 | 0 | 0 | 0 | 109.8 | R180 | R180-T182 PolarHBondContact O-N 3.3Š| ||
| 183 | A | 42.1 | Very low | 43.7 | Very low | 89 Ų | 89 | 152.9 Ų | 152.9 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | -68.4 | 132.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P181 K185 | P181-A183 PolarHBondContact O-N 3.1Å; A183-K185 PolarHBondContact O-N 2.89Å | ||
| 184 | F | 43.4 | Very low | 43.1 | Very low | 207 Ų | 207 | 151 Ų | 151 | 91% | 0.908 | 81% | 0.806 | S | S | * | * | trans | -66.2 | 128.9 | 170.7 | -85.8 | -102.1 | 0 | 0 | 0 | 110 | P186 | F184-P186 WeakPolarHBondContact O-CD 2.84Š| ||
| 185 | K | 50.2 | Low | 42.7 | Very low | 192 Ų | 192 | 152.6 Ų | 152.6 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -94.1 | 113 | -178.1 | -152.8 | 173.5 | -171.9 | 179.3 | 0 | 108.8 | A183 V187 | A183-K185 PolarHBondContact O-N 2.89Å; K185-V187 PolarHBondContact O-N 3.29Å | ||
| 186 | P | 42.4 | Very low | 42 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | trans | -66.7 | 124.1 | -179.5 | 26.3 | -33.1 | 0 | 0 | 0 | 110.3 | F184 | F184-P186 WeakPolarHBondContact O-CD 2.84Š| ||
| 187 | V | 41.3 | Very low | 41.1 | Very low | 135 Ų | 135 | 153 Ų | 153 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -84.3 | 114.8 | 176.2 | 178 | 0 | 0 | 0 | 0 | 108.6 | K185 P189 | K185-V187 PolarHBondContact O-N 3.29Å; V187-P189 WeakPolarHBondContact O-CD 3.26Å | ||
| 188 | I | 47.3 | Very low | 40.7 | Very low | 147 Ų | 147 | 155 Ų | 155 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | trans | -82 | 120.2 | 175.7 | -56.8 | 174.7 | 0 | 0 | 0 | 108.8 | K190 | I188-K190 PolarHBondContact O-N 2.72Š| ||
| 189 | P | 38.3 | Very low | 40 | Very low | 114 Ų | 114 | 154 Ų | 154 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | trans | -68.4 | 124.3 | 171.9 | -17 | 32 | 0 | 0 | 0 | 110.4 | V187 S191 | V187-P189 WeakPolarHBondContact O-CD 3.26Å; P189-S191 PolarHBondContact O-N 2.68Å | ||
| 190 | K | 38.6 | Very low | 39.6 | Very low | 210 Ų | 210 | 152.5 Ų | 152.5 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | trans | -77.6 | 103 | 173.8 | -71.7 | -176.5 | 176.4 | -177.8 | 0 | 110.4 | I188 | I188-K190 PolarHBondContact O-N 2.72Š| ||
| 191 | S | 37.4 | Very low | 39.1 | Very low | 113 Ų | 113 | 153.4 Ų | 153.4 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -83.9 | 128.5 | 162.4 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | P189 | P189-S191 PolarHBondContact O-N 2.68Š| ||
| 192 | R | 43.2 | Very low | 38.6 | Very low | 237 Ų | 237 | 156.7 Ų | 156.7 | 89% | 0.894 | 82% | 0.823 | S | S | * | * | trans | -72.1 | 162.5 | 154.7 | -85 | -177.7 | 164.2 | -170.7 | -4.9 | 109.4 | ||||
| 193 | S | 37.2 | Very low | 38 | Very low | 125 Ų | 125 | 154.3 Ų | 154.3 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | 94.9 | 73.7 | 166.3 | -50.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 194 | A | 31.9 | Very low | 37.6 | Very low | 93 Ų | 93 | 154.6 Ų | 154.6 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | -156.4 | 122.8 | 138.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 195 | M | 33.9 | Very low | 36.9 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 84% | 0.837 | 82% | 0.822 | S | S | * | * | 66.4 | 82.4 | 62.7 | -66 | -64.6 | -109.7 | 0 | 0 | 113.7 | |||||
| 196 | Q | 37 | Very low | 36.2 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | trans | 32.4 | 122.5 | 138.6 | -67.7 | 171.2 | -24.2 | 0 | 0 | 120.4 | ||||
| 197 | Y | 33.6 | Very low | 36.4 | Very low | 220 Ų | 220 | 144.9 Ų | 144.9 | 86% | 0.863 | 81% | 0.814 | S | S | * | * | trans | -4.4 | 137.3 | 150.1 | -59.8 | -93.4 | 0 | 0 | 0 | 119.4 | ||||
| 198 | L | 35.8 | Very low | 35.9 | Very low | 165 Ų | 165 | 147.6 Ų | 147.6 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | -173.2 | 151.3 | 96.4 | -94.6 | 170.7 | 0 | 0 | 0 | 111.4 | |||||
| 199 | S | 29.3 | Very low | 35.3 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 78% | 0.776 | 82% | 0.815 | S | S | * | * | trans | -137.4 | 123.8 | 168.3 | -76.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 200 | P | 38.9 | Very low | 35.2 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | -69.4 | 136.3 | -176.5 | -21.7 | 33.7 | 0 | 0 | 0 | 113.8 | ||||
| 201 | R | 33.2 | Very low | 34.8 | Very low | 233 Ų | 233 | 142.5 Ų | 142.5 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -77.1 | 151.5 | 156.6 | -93.9 | -171.2 | 171.8 | -162.7 | -1.2 | 110.1 | ||||
| 202 | H | 34.5 | Very low | 34.6 | Very low | 188 Ų | 188 | 143.7 Ų | 143.7 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | trans | -115.9 | 154.5 | 140.4 | -82.4 | 37.6 | 0 | 0 | 0 | 106.8 | ||||
| 203 | G | 29 | Very low | 34.3 | Very low | 78 Ų | 78 | 138.7 Ų | 138.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -143.8 | 178.6 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 204 | A | 32.5 | Very low | 34 | Very low | 95 Ų | 95 | 139 Ų | 139 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -140.6 | 132.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 205 | S | 30.4 | Very low | 34.1 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 16.7 | 128.5 | 157.3 | 51.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 206 | A | 34.1 | Very low | 33.9 | Very low | 94 Ų | 94 | 141.3 Ų | 141.3 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -84.9 | -159.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 207 | P | 47.7 | Very low | 33.6 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | cis | -140.1 | -173.5 | 11.8 | 46 | -26.8 | 0 | 0 | 0 | 117.2 | ||||
| 208 | E | 30.7 | Very low | 34.6 | Very low | 191 Ų | 191 | 133.9 Ų | 133.9 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | 64.3 | 134.4 | 156 | -71.3 | 159.1 | 159.4 | 0 | 0 | 120.1 | ||||
| 209 | G | 33.4 | Very low | 34.3 | Very low | 68 Ų | 68 | 130.2 Ų | 130.2 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | 175.3 | 159.2 | -9.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 210 | Q | 37.1 | Very low | 34.2 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | 69.2 | 110.8 | 156.6 | -62.4 | -171.1 | 0.5 | 0 | 0 | 122.2 | ||||
| 211 | N | 30.3 | Very low | 33.8 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 65% | 0.652 | 78% | 0.78 | S | S | * | * | 77 | 112.4 | 124.6 | -55.9 | -8.1 | 0 | 0 | 0 | 122.1 | |||||
| 212 | N | 33.9 | Very low | 33.5 | Very low | 139 Ų | 139 | 132 Ų | 132 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | 50 | 143.1 | 111.3 | -56.2 | -0.3 | 0 | 0 | 0 | 120.5 | |||||
| 213 | L | 36.1 | Very low | 33.3 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 69% | 0.691 | 76% | 0.764 | S | S | * | * | cis | -167.7 | 158.3 | -1.8 | -113.5 | 170.9 | 0 | 0 | 0 | 109.3 | ||||
| 214 | N | 31.1 | Very low | 33.5 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | 59 | 135.2 | 161.9 | -62 | -29.8 | 0 | 0 | 0 | 119.6 | ||||
| 215 | L | 33.5 | Very low | 34 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | cis | 89.7 | 143 | 49.1 | -131.3 | 83.2 | 0 | 0 | 0 | 114.6 | ||||
| 216 | L | 28.9 | Very low | 34 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | 84.9 | 129.2 | 171.7 | -52.9 | 179.5 | 0 | 0 | 0 | 119.9 | ||||
| 217 | S | 32.2 | Very low | 33.7 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -102.2 | -167.9 | 158.4 | -46.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 218 | P | 54.7 | Low | 32.9 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | cis | -139.6 | -163.5 | -2.9 | 40.6 | -19.4 | 0 | 0 | 0 | 115.2 | ||||
| 219 | A | 28.8 | Very low | 32.8 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | trans | 106.9 | 126.4 | 144.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 220 | N | 27.8 | Very low | 33 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | 45.9 | 112.4 | 142.1 | -68.1 | -12.1 | 0 | 0 | 0 | 123.2 | ||||
| 221 | R | 29.2 | Very low | 32.7 | Very low | 214 Ų | 214 | 141 Ų | 141 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | 167.5 | 155.9 | 117.7 | -92.9 | -168.4 | 120.1 | 122.1 | 12.2 | 109.6 | |||||
| 222 | E | 27.5 | Very low | 32.6 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | cis | -172.3 | 167.4 | -23.6 | -156.7 | 167.1 | -133.3 | 0 | 0 | 107.1 | ||||
| 223 | V | 30.8 | Very low | 32.6 | Very low | 131 Ų | 131 | 139 Ų | 139 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | 71.9 | 141.4 | 166.1 | -175.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 224 | S | 32.6 | Very low | 32.7 | Very low | 105 Ų | 105 | 144 Ų | 144 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -126 | 166.5 | 174.6 | -43.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 225 | P | 43.8 | Very low | 32.9 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | -118.5 | 150.5 | 123.4 | -6.5 | 27.3 | 0 | 0 | 0 | 111.1 | |||||
| 226 | S | 30.6 | Very low | 32.6 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | cis | 69.6 | 129.5 | 47 | -150.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 227 | C | 26.3 | Very low | 32.7 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | cis | -157.1 | 158.7 | 3.1 | -169 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 228 | S | 31.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -153.8 | 135.5 | 138.3 | 64.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 229 | E | 28.4 | Very low | 31.9 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | -103.5 | 151.4 | -175.9 | -56.4 | 167.1 | 91.2 | 0 | 0 | 112 | ||||
| 230 | K | 37.5 | Very low | 32.2 | Very low | 201 Ų | 201 | 142.6 Ų | 142.6 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | -174.9 | 105.1 | 117.4 | -97.8 | 150.6 | -170.7 | 170.8 | 0 | 114.3 | |||||
| 231 | R | 32.1 | Very low | 32.6 | Very low | 237 Ų | 237 | 140.5 Ų | 140.5 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | 21.9 | 118.9 | 127.6 | 175.2 | -169.1 | -85.8 | -117.1 | 1.6 | 117.1 | |||||
| 232 | S | 28 | Very low | 32.8 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | -161.5 | 151.7 | 98.6 | -158.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 233 | S | 34.4 | Very low | 32.9 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -105.2 | 155.1 | 178 | -49.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 234 | Y | 37 | Very low | 33 | Very low | 236 Ų | 236 | 132.5 Ų | 132.5 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -141.4 | 158.1 | 144.4 | -135.8 | -90.4 | 0 | 0 | 0 | 109.8 | ||||
| 235 | S | 35.3 | Very low | 33 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -147.9 | 156.6 | -165.3 | 54.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 236 | G | 27.2 | Very low | 32.5 | Very low | 84 Ų | 84 | 136.2 Ų | 136.2 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | 108.6 | 143.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 237 | G | 30.5 | Very low | 32.6 | Very low | 70 Ų | 70 | 136.2 Ų | 136.2 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | cis | 146.7 | 143.4 | -16.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 238 | R | 35.8 | Very low | 32.7 | Very low | 242 Ų | 242 | 137.7 Ų | 137.7 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | trans | 73.5 | 153 | 173.1 | -46.1 | -179.5 | 177.2 | -154.6 | -3.7 | 114.1 | ||||
| 239 | N | 33.9 | Very low | 33 | Very low | 146 Ų | 146 | 137 Ų | 137 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | cis | -112.5 | 161.1 | 8.9 | -59.6 | -47.6 | 0 | 0 | 0 | 110.8 | ||||
| 240 | A | 35.8 | Very low | 33.3 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 69% | 0.686 | 82% | 0.818 | S | S | * | * | cis | 76.8 | 129.8 | 30.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 241 | S | 35.9 | Very low | 33.3 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | cis | -167.4 | 168.9 | -2.9 | -88.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 242 | S | 33.5 | Very low | 33.3 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | trans | 110.8 | 145.3 | 147.8 | -154.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 243 | G | 30.2 | Very low | 33.8 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | 98.3 | 74 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 244 | S | 32.1 | Very low | 33.7 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | 77.9 | 95.8 | 77.8 | -177.7 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 245 | S | 34 | Very low | 33.8 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | 80.4 | 152.6 | 132.5 | -49.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 246 | Q | 32.8 | Very low | 33.6 | Very low | 195 Ų | 195 | 130.2 Ų | 130.2 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | 75.9 | 111.8 | 163 | -70.4 | -178 | -7.1 | 0 | 0 | 120.3 | ||||
| 247 | S | 32.6 | Very low | 33.9 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -86.5 | 142.5 | 156.5 | 53.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 248 | C | 29 | Very low | 34.1 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 87% | 0.872 | 82% | 0.823 | S | S | * | * | trans | -164.8 | 156.3 | 136.9 | 51 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 249 | S | 37.9 | Very low | 34 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | trans | -93.1 | 155.2 | 171.4 | 52.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 250 | L | 34.7 | Very low | 33.8 | Very low | 174 Ų | 174 | 129.3 Ų | 129.3 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -139.3 | 140.2 | 154.4 | -76.4 | -179.4 | 0 | 0 | 0 | 109.6 | ||||
| 251 | S | 35.9 | Very low | 34 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 80% | 0.804 | 83% | 0.829 | S | S | * | * | trans | -101.3 | 162 | 170.6 | -52.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 252 | D | 31.9 | Very low | 35.3 | Very low | 162 Ų | 162 | 133 Ų | 133 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | trans | -136.4 | 161.1 | 154 | -159.6 | 2.6 | 0 | 0 | 0 | 110.2 | ||||
| 253 | S | 39.9 | Very low | 36.1 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -132 | 128.5 | -162.7 | -69.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 254 | G | 32.3 | Very low | 35.9 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -124.5 | 50.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 255 | R | 38.5 | Very low | 35.9 | Very low | 228 Ų | 228 | 139.7 Ų | 139.7 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | 0.3 | 130.2 | 164.6 | -63.4 | 176.1 | 169.6 | -147.7 | -3.9 | 118.9 | ||||
| 256 | N | 31.4 | Very low | 35.6 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | -159.9 | 132 | 111.1 | -104.9 | -17.9 | 0 | 0 | 0 | 112 | |||||
| 257 | S | 34.2 | Very low | 35.5 | Very low | 105 Ų | 105 | 133.1 Ų | 133.1 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | trans | -147.5 | 137 | 177.7 | -52.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 258 | L | 34.2 | Very low | 35.3 | Very low | 183 Ų | 183 | 133.3 Ų | 133.3 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | trans | -137 | 132.2 | 154.5 | -75.1 | 179.8 | 0 | 0 | 0 | 108.1 | ||||
| 259 | S | 33.2 | Very low | 35.5 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -154 | 141.3 | -172.6 | 50.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 260 | S | 31 | Very low | 35.1 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -160.8 | 123.8 | 171.8 | 55.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 261 | L | 39.2 | Very low | 35 | Very low | 168 Ų | 168 | 135.6 Ų | 135.6 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | trans | -156.3 | 178.9 | 175.8 | -80.9 | -174.8 | 0 | 0 | 0 | 107.3 | ||||
| 262 | P | 62.3 | Low | 34.6 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | cis | -105.1 | -90.8 | -17.8 | 20.1 | 1.2 | 0 | 0 | 0 | 110.7 | ||||
| 263 | P | 50.2 | Low | 34.5 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | cis | -134.6 | 178.6 | -34.7 | 40.1 | -22.3 | 0 | 0 | 0 | 117.2 | ||||
| 264 | Y | 27.2 | Very low | 34.1 | Very low | 202 Ų | 202 | 131.6 Ų | 131.6 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | 90.1 | 109.9 | 146.3 | -107.1 | -82.4 | 0 | 0 | 0 | 122.6 | ||||
| 265 | N | 30.8 | Very low | 34 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 58.4 | 156.1 | 154.3 | -74.4 | 11.4 | 0 | 0 | 0 | 120.7 | ||||
| 266 | G | 28.4 | Very low | 33.9 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | -172.1 | 164.2 | -1.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 267 | A | 30.8 | Very low | 34.4 | Very low | 91 Ų | 91 | 130 Ų | 130 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -88.7 | 162.5 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 268 | T | 28.1 | Very low | 34.2 | Very low | 119 Ų | 119 | 130 Ų | 130 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | 149.6 | 153.5 | 124.6 | 50.7 | 0 | 0 | 0 | 0 | 116 | |||||
| 269 | Y | 33.3 | Very low | 33.9 | Very low | 204 Ų | 204 | 125.1 Ų | 125.1 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | 59 | 101.7 | 162.8 | 70.5 | -97.5 | 0 | 0 | 0 | 123.7 | ||||
| 270 | S | 30 | Very low | 33.6 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | 50.7 | 128.7 | 112.2 | -65.5 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 271 | V | 31.3 | Very low | 33.8 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | 101.1 | 134.1 | 129.6 | 163.7 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 272 | A | 29.5 | Very low | 33.5 | Very low | 79 Ų | 79 | 124.9 Ų | 124.9 | 65% | 0.653 | 76% | 0.763 | S | S | * | * | trans | 81.2 | 93.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 273 | S | 29.4 | Very low | 32.7 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | 76.7 | 156.6 | 119.1 | -57.7 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 274 | A | 30.7 | Very low | 32 | Very low | 92 Ų | 92 | 125.8 Ų | 125.8 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | trans | 86.4 | 101.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 275 | E | 29.9 | Very low | 32.5 | Very low | 180 Ų | 180 | 127 Ų | 127 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | 56.1 | 110.5 | 133.4 | -54.8 | -162.5 | 140.2 | 0 | 0 | 123.6 | ||||
| 276 | V | 36.9 | Very low | 32.4 | Very low | 139 Ų | 139 | 125 Ų | 125 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | 68.7 | 135.8 | 129.2 | -177.6 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 277 | P | 41.4 | Very low | 32.8 | Very low | 124 Ų | 124 | 127.5 Ų | 127.5 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -109.5 | 163 | -155.4 | 41.4 | -34.3 | 0 | 0 | 0 | 116.6 | ||||
| 278 | A | 29.5 | Very low | 33.3 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | trans | -148.2 | 139.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 279 | G | 27.7 | Very low | 33.6 | Very low | 80 Ų | 80 | 128.9 Ų | 128.9 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | trans | 83.4 | 161.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 280 | H | 28.5 | Very low | 33.7 | Very low | 153 Ų | 153 | 125.5 Ų | 125.5 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | cis | -165.2 | 141.8 | -12.2 | -166.7 | 16.4 | 0 | 0 | 0 | 106.2 | E282 | H280-E282 IonicContact CE1-OE1 3.17Š| ||
| 281 | L | 34.6 | Very low | 33.9 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | 168.6 | 135.1 | 93.3 | -88 | 161.6 | 0 | 0 | 0 | 110.2 | |||||
| 282 | E | 33.9 | Very low | 34 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 53% | 0.528 | 76% | 0.761 | S | S | . | * | trans | 65 | 148.9 | 136.8 | -67.8 | -34.3 | 109.7 | 0 | 0 | 122.9 | H280 I284 | H280-E282 IonicContact CE1-OE1 3.17Å; E282-I284 HydrophobicContact CG-CG1 4.23Å; E282-I284 WeakPolarHBondContact OE2-CG1 3.18Å; E282-I284 PolarHBondContact OE2-N 2.77Å | ||
| 283 | P | 43.9 | Very low | 34.3 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | cis | -139.6 | 132.3 | 44.9 | 39.1 | -18.5 | 0 | 0 | 0 | 121.3 | ||||
| 284 | I | 35.1 | Very low | 34.5 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 56% | 0.564 | 76% | 0.76 | S | S | * | * | 3.6 | 130.3 | 119.4 | -51.1 | -159.5 | 0 | 0 | 0 | 114.3 | E282 | E282-I284 HydrophobicContact CG-CG1 4.23Å; E282-I284 WeakPolarHBondContact OE2-CG1 3.18Å; E282-I284 PolarHBondContact OE2-N 2.77Å | |||
| 285 | R | 38.6 | Very low | 34.7 | Very low | 226 Ų | 226 | 128.5 Ų | 128.5 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | cis | -154.7 | 165.9 | 14.5 | -117.3 | 156.7 | -155 | 169.1 | 7.1 | 106.5 | ||||
| 286 | S | 29.9 | Very low | 35.2 | Very low | 107 Ų | 107 | 125.7 Ų | 125.7 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | cis | -160.2 | -175.3 | 5.9 | 58.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 287 | V | 35.2 | Very low | 35 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | cis | -148.6 | 152.3 | 7.2 | 83.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 288 | P | 42.8 | Very low | 34.8 | Very low | 114 Ų | 114 | 127 Ų | 127 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | trans | -91.5 | 149 | -161.2 | 34.5 | -34.7 | 0 | 0 | 0 | 115.1 | ||||
| 289 | S | 33.3 | Very low | 35.5 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -129 | 127.9 | 152.1 | -172.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 290 | V | 34.9 | Very low | 36.2 | Very low | 133 Ų | 133 | 131 Ų | 131 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | -89.8 | 121 | -162 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 291 | G | 35.4 | Very low | 36.5 | Very low | 70 Ų | 70 | 126.7 Ų | 126.7 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | -83.8 | 146 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 292 | T | 33.4 | Very low | 36.8 | Very low | 120 Ų | 120 | 132 Ų | 132 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -86.2 | -178.6 | -178 | 43.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 293 | H | 35.3 | Very low | 37.2 | Very low | 179 Ų | 179 | 131.6 Ų | 131.6 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | 90 | 105 | 177.7 | -51.7 | -72.4 | 0 | 0 | 0 | 115.5 | ||||
| 294 | G | 33.6 | Very low | 37.1 | Very low | 67 Ų | 67 | 131.3 Ų | 131.3 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | cis | 118.1 | 74.9 | -12.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 295 | H | 35.8 | Very low | 37.3 | Very low | 177 Ų | 177 | 131.6 Ų | 131.6 | 82% | 0.819 | 79% | 0.792 | S | S | * | * | trans | -137.9 | 124.1 | 164.4 | -79.2 | -74.9 | 0 | 0 | 0 | 111.8 | ||||
| 296 | T | 39 | Very low | 37.3 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | 23.5 | 108.9 | 152.5 | 50.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 297 | N | 34.2 | Very low | 37.8 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | -167.8 | 144.1 | 99 | -89.9 | -19.9 | 0 | 0 | 0 | 110.8 | |||||
| 298 | S | 35.7 | Very low | 38 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -146.3 | 93.1 | 176.8 | -65.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 299 | D | 44.8 | Very low | 38 | Very low | 151 Ų | 151 | 131.9 Ų | 131.9 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | trans | -96.7 | 137.2 | 156.8 | 172.2 | 32 | 0 | 0 | 0 | 108.7 | ||||
| 300 | S | 41.8 | Very low | 38.1 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 168.4 | 109 | 149.5 | -82.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 301 | G | 35.8 | Very low | 38.3 | Very low | 63 Ų | 63 | 129.3 Ų | 129.3 | 65% | 0.649 | 80% | 0.803 | S | S | * | * | trans | -100.2 | 133.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 302 | R | 40.7 | Very low | 38.2 | Very low | 241 Ų | 241 | 129.4 Ų | 129.4 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -176.2 | 98.8 | 154.6 | -104.1 | 154.1 | 176.6 | -90 | -1 | 109.2 | ||||
| 303 | S | 41.5 | Very low | 38.5 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | 71.3 | 116.7 | 68.1 | -58.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 304 | S | 42.8 | Very low | 38.8 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | 174.9 | 157.7 | 110.3 | -76.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 305 | S | 38 | Very low | 39.1 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | 82 | 142.9 | 167.2 | 79.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 306 | S | 38.9 | Very low | 38.9 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | cis | 162.8 | 105.8 | -37.8 | -92.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 307 | K | 41.2 | Very low | 39 | Very low | 216 Ų | 216 | 133.5 Ų | 133.5 | 94% | 0.939 | 83% | 0.829 | S | S | * | * | trans | -173.4 | 170.9 | 143.5 | -107.9 | 165.9 | -176.4 | -179.9 | 0 | 111.8 | ||||
| 308 | S | 40.3 | Very low | 39 | Very low | 108 Ų | 108 | 129 Ų | 129 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | -142.9 | 138.9 | -147.5 | 55.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 309 | T | 42.7 | Very low | 39.4 | Very low | 142 Ų | 142 | 131.2 Ų | 131.2 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | trans | -155.3 | 134 | 149.1 | 40 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 310 | G | 34.5 | Very low | 39.6 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | cis | 84.2 | 108.5 | 31.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 311 | S | 38.3 | Very low | 39.3 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | cis | -148.7 | 179.6 | 18.8 | -62.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 312 | G | 34.8 | Very low | 39.4 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | cis | -175.2 | 169.8 | 1.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 313 | S | 38.5 | Very low | 39.1 | Very low | 118 Ų | 118 | 129 Ų | 129 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -78.8 | 162.5 | -175.1 | -41.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 314 | I | 41.2 | Very low | 39.1 | Very low | 172 Ų | 172 | 129.9 Ų | 129.9 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | -162.7 | 151.2 | 105.9 | 41 | 168.6 | 0 | 0 | 0 | 112.5 | |||||
| 315 | S | 40.8 | Very low | 38.7 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -76.7 | 154.2 | 168 | -47.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 316 | G | 32.6 | Very low | 38.8 | Very low | 79 Ų | 79 | 128.2 Ų | 128.2 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | -154.7 | 56.5 | -173 | 0 | 0 | 0 | 0 | 0 | 116.8 | G318 | G316-G318 PolarHBondContact O-N 3.25Š| ||
| 317 | R | 40.8 | Very low | 38.9 | Very low | 258 Ų | 258 | 126 Ų | 126 | 97% | 0.974 | 82% | 0.815 | S | S | * | * | trans | -55 | 118.8 | 169.5 | 174.4 | -163.1 | -164.9 | -137.1 | 9.5 | 111.9 | ||||
| 318 | G | 33.6 | Very low | 38.8 | Very low | 66 Ų | 66 | 119.7 Ų | 119.7 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | trans | 165.9 | 119 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | G316 | G316-G318 PolarHBondContact O-N 3.25Š| ||
| 319 | Q | 44.9 | Very low | 38.6 | Very low | 177 Ų | 177 | 126 Ų | 126 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | trans | -72.7 | 156.2 | 133.9 | -78.5 | -170.1 | -28.1 | 0 | 0 | 108.2 | ||||
| 320 | P | 47.1 | Very low | 38.5 | Very low | 126 Ų | 126 | 125 Ų | 125 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | -128.9 | 174.6 | 110.3 | 37.9 | -32.9 | 0 | 0 | 0 | 113.5 | |||||
| 321 | L | 37.6 | Very low | 39.7 | Very low | 144 Ų | 144 | 128 Ų | 128 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | trans | -86.8 | -178.4 | 175.6 | -65.4 | 164.5 | 0 | 0 | 0 | 111.7 | ||||
| 322 | S | 37.7 | Very low | 39.6 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | 93.3 | 104 | 149.8 | -55.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 323 | D | 33.8 | Very low | 40.4 | Very low | 148 Ų | 148 | 127 Ų | 127 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | 62.2 | 121.6 | 112.8 | -162.8 | 12.2 | 0 | 0 | 0 | 119.4 | G325 | D323-G325 PolarHBondContact OD1-N 3.37Š| |||
| 324 | S | 41.6 | Very low | 41.2 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -160.6 | 65.3 | 161.1 | -79.5 | 0 | 0 | 0 | 0 | 110.5 | S326 | S324-S326 PolarHBondContact O-N 2.82Š| ||
| 325 | G | 33.4 | Very low | 41.8 | Very low | 73 Ų | 73 | 129.4 Ų | 129.4 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | -73.4 | 116.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D323 | D323-G325 PolarHBondContact OD1-N 3.37Š| ||
| 326 | S | 41.3 | Very low | 42.7 | Very low | 124 Ų | 124 | 126 Ų | 126 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -162.3 | 152.7 | 170.6 | -167.9 | 0 | 0 | 0 | 0 | 113.8 | S324 | S324-S326 PolarHBondContact O-N 2.82Š| ||
| 327 | G | 39.6 | Very low | 44.1 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | 90.3 | 51.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 119 | R329 | G327-R329 PolarHBondContact O-N 3.46Š| ||
| 328 | G | 39.4 | Very low | 45.7 | Very low | 83 Ų | 83 | 126.3 Ų | 126.3 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -67.4 | 110.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 329 | R | 36.6 | Very low | 47.9 | Very low | 241 Ų | 241 | 125.2 Ų | 125.2 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | trans | -150 | 136.9 | 166.7 | -84.3 | -173.9 | -175.9 | -86.6 | -4.2 | 112 | G327 | G327-R329 PolarHBondContact O-N 3.46Š| ||
| 330 | S | 40.2 | Very low | 49.7 | Very low | 120 Ų | 120 | 121.1 Ų | 121.1 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | trans | -133.2 | 165.2 | 165.9 | -69.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 331 | P | 60.7 | Low | 51.4 | Low | 133 Ų | 133 | 118.2 Ų | 118.2 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | cis | -126.4 | 173.6 | -13.1 | 35.5 | -18.8 | 0 | 0 | 0 | 113.9 | ||||
| 332 | G | 35.8 | Very low | 53.8 | Low | 57 Ų | 57 | 117.6 Ų | 117.6 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | trans | -177.3 | 136.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 333 | P | 52.2 | Low | 56.1 | Low | 128 Ų | 128 | 116.6 Ų | 116.6 | 83% | 0.831 | 71% | 0.711 | S | S | * | * | trans | -74.5 | 141.7 | -156.9 | 29.8 | -35.8 | 0 | 0 | 0 | 113.1 | ||||
| 334 | V | 54.7 | Low | 58.8 | Low | 135 Ų | 135 | 114.6 Ų | 114.6 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | cis | 71.8 | 67.3 | 31.2 | -165.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 335 | E | 53.4 | Low | 61.1 | Low | 205 Ų | 205 | 113.4 Ų | 113.4 | 96% | 0.958 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -164.6 | 71.7 | 155.3 | -124.5 | 173.3 | 177.6 | 0 | 0 | 111.1 | ||
| 336 | G | 58.9 | Low | 63.8 | Low | 50 Ų | 50 | 113.4 Ų | 113.4 | 52% | 0.515 | 66% | 0.664 | S | S | . | * | S | Bend | trans | 170.8 | -30.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | E338 G339 | G336-E338 VanDerWaalsContact C-N 3.28Å; G336-E338 PolarHBondContact O-N 3.49Å; G336-G339 PolarHBondContact O-N 2.84Å |
| 337 | Y | 62.2 | Low | 66.4 | Low | 207 Ų | 207 | 112.1 Ų | 112.1 | 81% | 0.812 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -61.8 | -34.7 | 176.2 | -92.5 | -96.8 | 0 | 0 | 0 | 112.8 | G339 V340 V341 | Y337-G339 VanDerWaalsContact C-N 3.31Å; Y337-G339 PolarHBondContact O-N 3.38Å; Y337-V340 PolarHBondContact O-N 2.9Å; Y337-V341 WeakPolarHBondContact O-CB 3.19Å; Y337-V341 VanDerWaalsContact O-CG2 3.32Å; Y337-V341 WeakPolarHBondContact O-CG2 3.5Å; Y337-V341 PolarHBondContact O-N 2.93Å |
| 338 | E | 74.6 | Confident | 68.9 | Low | 137 Ų | 137 | 113.7 Ų | 113.7 | 64% | 0.64 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -61.4 | -36.8 | -177.3 | -163.6 | -169.9 | 143.8 | 0 | 0 | 113 | G336 R342 | G336-E338 VanDerWaalsContact C-N 3.28Å; G336-E338 PolarHBondContact O-N 3.49Å; E338-R342 WeakPolarHBondContact O-CB 3.34Å; E338-R342 PolarHBondContact O-N 2.78Å; E338-R342 IonicContact OE1-NH2 2.76Å; E338-R342 PolarHBondContact OE1-NH2 2.84Å |
| 339 | G | 79.7 | Confident | 71.6 | Confident | 42 Ų | 42 | 115.4 Ų | 115.4 | 43% | 0.433 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.1 | -46.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | G336 Y337 V341 R342 D343 | G336-G339 PolarHBondContact O-N 2.84Å; Y337-G339 VanDerWaalsContact C-N 3.31Å; Y337-G339 PolarHBondContact O-N 3.38Å; G339-V341 VanDerWaalsContact C-N 3.34Å; G339-V341 PolarHBondContact O-N 3.17Å; G339-R342 PolarHBondContact O-N 2.9Å; G339-D343 WeakPolarHBondContact O-CB 3.24Å; G339-D343 PolarHBondContact O-N 3.11Å |
| 340 | V | 83.1 | Confident | 74.3 | Confident | 91 Ų | 91 | 109.1 Ų | 109.1 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.8 | -35.7 | 178.3 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | Y337 D343 L344 | Y337-V340 PolarHBondContact O-N 2.9Å; V340-D343 WeakPolarHBondContact O-CB 3.38Å; V340-L344 HydrophobicContact CG1-CD1 4.22Å; V340-L344 WeakPolarHBondContact O-CD1 3.31Å; V340-L344 VanDerWaalsContact O-CG 3.26Å; V340-L344 WeakPolarHBondContact O-CG 3.49Å; V340-L344 PolarHBondContact O-N 3.19Å; V340-L344 VanDerWaalsContact O-N 3.09Å |
| 341 | V | 83.2 | Confident | 76.9 | Confident | 65 Ų | 65 | 109.9 Ų | 109.9 | 39% | 0.394 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.9 | -48.1 | 172.9 | 168.2 | 0 | 0 | 0 | 0 | 110.5 | Y337 G339 D343 L344 E345 | Y337-V341 WeakPolarHBondContact O-CB 3.19Å; Y337-V341 VanDerWaalsContact O-CG2 3.32Å; Y337-V341 WeakPolarHBondContact O-CG2 3.5Å; Y337-V341 PolarHBondContact O-N 2.93Å; G339-V341 VanDerWaalsContact C-N 3.34Å; G339-V341 PolarHBondContact O-N 3.17Å; V341-D343 VanDerWaalsContact C-N 3.33Å; V341-D343 PolarHBondContact O-N 2.84Å; V341-L344 CarbonylContact O-C 3.57Å; V341-L344 WeakPolarHBondContact O-CA 3.08Å; V341-L344 WeakPolarHBondContact O-CB 3.48Å; V341-L344 PolarHBondContact O-N 3.42Å; V341-E345 HydrophobicContact CG1-CG 4.35Å; V341-E345 WeakPolarHBondContact CG1-OE1 3.09Å; V341-E345 WeakPolarHBondContact O-CG 3.31Å; V341-E345 PolarHBondContact O-N 2.93Å |
| 342 | R | 86.8 | Confident | 78.6 | Confident | 132 Ų | 132 | 108.6 Ų | 108.6 | 50% | 0.498 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -59.3 | -44.1 | 176.5 | -168.5 | 178.5 | -57.1 | 170.4 | 6.6 | 112.1 | E338 G339 L344 E345 D346 | E338-R342 WeakPolarHBondContact O-CB 3.34Å; E338-R342 PolarHBondContact O-N 2.78Å; E338-R342 IonicContact OE1-NH2 2.76Å; E338-R342 PolarHBondContact OE1-NH2 2.84Å; G339-R342 PolarHBondContact O-N 2.9Å; R342-L344 PolarHBondContact O-N 3.48Å; R342-E345 WeakPolarHBondContact O-CB 3.38Å; R342-E345 PolarHBondContact O-N 2.72Å; R342-E345 VanDerWaalsContact O-N 3.12Å; R342-D346 WeakPolarHBondContact O-CB 3.22Å; R342-D346 PolarHBondContact O-N 3.39Å |
| 343 | D | 87.8 | Confident | 81.4 | Confident | 88 Ų | 88 | 111.4 Ų | 111.4 | 47% | 0.471 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -58.3 | -29.8 | 173.7 | -108.4 | 48.6 | 0 | 0 | 0 | 113.6 | G339 V340 V341 K347 | G339-D343 WeakPolarHBondContact O-CB 3.24Å; G339-D343 PolarHBondContact O-N 3.11Å; V340-D343 WeakPolarHBondContact O-CB 3.38Å; V341-D343 VanDerWaalsContact C-N 3.33Å; V341-D343 PolarHBondContact O-N 2.84Å; D343-K347 WeakPolarHBondContact O-CD 3.16Å; D343-K347 WeakPolarHBondContact O-CG 3.33Å; D343-K347 PolarHBondContact O-N 3.25Å; D343-K347 PolarHBondContact O-NZ 2.7Å; D343-K347 IonicContact OD2-NZ 2.92Å; D343-K347 PolarHBondContact OD2-NZ 2.84Å |
| 344 | L | 89.4 | Confident | 83.4 | Confident | 106 Ų | 106 | 109.5 Ų | 109.5 | 56% | 0.555 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -85.4 | -32.8 | 175.9 | -72.3 | 167.3 | 0 | 0 | 0 | 111.8 | V340 V341 R342 L348 | V340-L344 HydrophobicContact CG1-CD1 4.22Å; V340-L344 WeakPolarHBondContact O-CD1 3.31Å; V340-L344 VanDerWaalsContact O-CG 3.26Å; V340-L344 WeakPolarHBondContact O-CG 3.49Å; V340-L344 PolarHBondContact O-N 3.19Å; V340-L344 VanDerWaalsContact O-N 3.09Å; V341-L344 CarbonylContact O-C 3.57Å; V341-L344 WeakPolarHBondContact O-CA 3.08Å; V341-L344 WeakPolarHBondContact O-CB 3.48Å; V341-L344 PolarHBondContact O-N 3.42Å; R342-L344 PolarHBondContact O-N 3.48Å; L344-L348 VanDerWaalsContact O-CB 3.28Å; L344-L348 WeakPolarHBondContact O-CB 3.48Å; L344-L348 PolarHBondContact O-N 3.29Å |
| 345 | E | 89.5 | Confident | 85.4 | Confident | 97 Ų | 97 | 108 Ų | 108 | 45% | 0.453 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.3 | -38.4 | 171.4 | -69.8 | 170.6 | 173.3 | 0 | 0 | 112 | V341 R342 L348 R349 | V341-E345 HydrophobicContact CG1-CG 4.35Å; V341-E345 WeakPolarHBondContact CG1-OE1 3.09Å; V341-E345 WeakPolarHBondContact O-CG 3.31Å; V341-E345 PolarHBondContact O-N 2.93Å; R342-E345 WeakPolarHBondContact O-CB 3.38Å; R342-E345 PolarHBondContact O-N 2.72Å; R342-E345 VanDerWaalsContact O-N 3.12Å; E345-L348 PolarHBondContact O-N 2.83Å; E345-R349 PolarHBondContact O-N 2.92Å; E345-R349 PolarHBondContact O-NE 3.06Å |
| 346 | D | 91.4 | Very high | 87.4 | Confident | 73 Ų | 73 | 102.1 Ų | 102.1 | 39% | 0.39 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 172.9 | -78.3 | -42.7 | 0 | 0 | 0 | 110.7 | R342 L348 R349 E350 | R342-D346 WeakPolarHBondContact O-CB 3.22Å; R342-D346 PolarHBondContact O-N 3.39Å; D346-L348 VanDerWaalsContact C-N 3.34Å; D346-L348 PolarHBondContact O-N 3.41Å; D346-R349 PolarHBondContact O-N 3Å; D346-R349 IonicContact OD1-CZ 2.72Å; D346-R349 IonicContact OD1-NH1 3.01Å; D346-R349 PolarHBondContact OD1-NH1 2.84Å; D346-R349 IonicContact OD1-NH2 2.71Å; D346-R349 PolarHBondContact OD1-NH2 2.71Å; D346-E350 WeakPolarHBondContact O-CB 3.47Å; D346-E350 PolarHBondContact O-N 3.16Å |
| 347 | K | 94.2 | Very high | 89.2 | Confident | 97 Ų | 97 | 105 Ų | 105 | 42% | 0.422 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.8 | -32.8 | 174.4 | -70.3 | 172.9 | -165.5 | 87 | 0 | 112.6 | D343 R351 | D343-K347 WeakPolarHBondContact O-CD 3.16Å; D343-K347 WeakPolarHBondContact O-CG 3.33Å; D343-K347 PolarHBondContact O-N 3.25Å; D343-K347 PolarHBondContact O-NZ 2.7Å; D343-K347 IonicContact OD2-NZ 2.92Å; D343-K347 PolarHBondContact OD2-NZ 2.84Å; K347-R351 WeakPolarHBondContact O-CB 3.28Å; K347-R351 VanDerWaalsContact O-CG 3.25Å; K347-R351 WeakPolarHBondContact O-CG 3.09Å; K347-R351 PolarHBondContact O-N 2.96Å |
| 348 | L | 93.9 | Very high | 90.8 | Very high | 100 Ų | 100 | 99.9 Ų | 99.9 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.1 | -47.2 | 173.3 | 179.8 | 60.5 | 0 | 0 | 0 | 110.2 | L344 E345 D346 E350 R351 E352 | L344-L348 VanDerWaalsContact O-CB 3.28Å; L344-L348 WeakPolarHBondContact O-CB 3.48Å; L344-L348 PolarHBondContact O-N 3.29Å; E345-L348 PolarHBondContact O-N 2.83Å; D346-L348 VanDerWaalsContact C-N 3.34Å; D346-L348 PolarHBondContact O-N 3.41Å; L348-E350 PolarHBondContact O-N 3.4Å; L348-R351 CarbonylContact O-C 3.55Å; L348-R351 PolarHBondContact O-N 2.92Å; L348-R351 VanDerWaalsContact O-N 3.13Å; L348-E352 HydrophobicContact CD1-CG 4.41Å; L348-E352 HydrophobicContact CG-CG 4.5Å; L348-E352 WeakPolarHBondContact O-CG 3.44Å; L348-E352 PolarHBondContact O-N 3.32Å |
| 349 | R | 94.7 | Very high | 91.9 | Very high | 119 Ų | 119 | 98.4 Ų | 98.4 | 45% | 0.449 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.9 | -36.2 | 175.9 | -77.8 | 179.4 | -83.4 | 100.5 | -3.1 | 113.2 | E345 D346 R351 E352 L353 | E345-R349 PolarHBondContact O-N 2.92Å; E345-R349 PolarHBondContact O-NE 3.06Å; D346-R349 PolarHBondContact O-N 3Å; D346-R349 IonicContact OD1-CZ 2.72Å; D346-R349 IonicContact OD1-NH1 3.01Å; D346-R349 PolarHBondContact OD1-NH1 2.84Å; D346-R349 IonicContact OD1-NH2 2.71Å; D346-R349 PolarHBondContact OD1-NH2 2.71Å; R349-R351 VanDerWaalsContact C-N 3.34Å; R349-E352 PolarHBondContact O-N 2.98Å; R349-L353 WeakPolarHBondContact O-CB 3.46Å; R349-L353 PolarHBondContact O-N 2.82Å |
| 350 | E | 94 | Very high | 92.7 | Very high | 109 Ų | 109 | 99.9 Ų | 99.9 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.5 | -45 | 170.1 | -176.6 | 177.5 | -127.8 | 0 | 0 | 110.7 | D346 L348 L353 E354 | D346-E350 WeakPolarHBondContact O-CB 3.47Å; D346-E350 PolarHBondContact O-N 3.16Å; L348-E350 PolarHBondContact O-N 3.4Å; E350-L353 PolarHBondContact O-N 3.2Å; E350-E354 PolarHBondContact O-N 2.93Å |
| 351 | R | 95.2 | Very high | 93.4 | Very high | 136 Ų | 136 | 99.1 Ų | 99.1 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -74.3 | -29.5 | 178.1 | -65.6 | -65.8 | 160.5 | 83.7 | 3.1 | 114.5 | K347 L348 R349 L353 E354 L355 | K347-R351 WeakPolarHBondContact O-CB 3.28Å; K347-R351 VanDerWaalsContact O-CG 3.25Å; K347-R351 WeakPolarHBondContact O-CG 3.09Å; K347-R351 PolarHBondContact O-N 2.96Å; L348-R351 CarbonylContact O-C 3.55Å; L348-R351 PolarHBondContact O-N 2.92Å; L348-R351 VanDerWaalsContact O-N 3.13Å; R349-R351 VanDerWaalsContact C-N 3.34Å; R351-L353 VanDerWaalsContact C-N 3.31Å; R351-E354 VanDerWaalsContact CD-CD 3.43Å; R351-E354 WeakPolarHBondContact CD-OE1 3.39Å; R351-E354 WeakPolarHBondContact CD-OE2 3.32Å; R351-E354 IonicContact CZ-OE1 2.93Å; R351-E354 VanDerWaalsContact NE-CD 3.34Å; R351-E354 IonicContact NE-OE1 2.69Å; R351-E354 PolarHBondContact NE-OE1 3.43Å; R351-E354 IonicContact NE-OE2 3.87Å; R351-E354 PolarHBondContact NE-OE2 2.96Å; R351-E354 VanDerWaalsContact NE-OE2 3.17Å; R351-L355 WeakPolarHBondContact O-CB 3.26Å; R351-L355 WeakPolarHBondContact O-CD1 3.45Å; R351-L355 WeakPolarHBondContact O-CG 3.47Å; R351-L355 PolarHBondContact O-N 3.33Å |
| 352 | E | 95.6 | Very high | 94 | Very high | 107 Ų | 107 | 101 Ų | 101 | 50% | 0.5 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 169 | -73.5 | 169.4 | 168.5 | 0 | 0 | 110.9 | L348 R349 Q356 | L348-E352 HydrophobicContact CD1-CG 4.41Å; L348-E352 HydrophobicContact CG-CG 4.5Å; L348-E352 WeakPolarHBondContact O-CG 3.44Å; L348-E352 PolarHBondContact O-N 3.32Å; R349-E352 PolarHBondContact O-N 2.98Å; E352-Q356 WeakPolarHBondContact O-CB 3.43Å; E352-Q356 PolarHBondContact O-N 2.97Å |
| 353 | L | 95.4 | Very high | 94.5 | Very high | 116 Ų | 116 | 99.6 Ų | 99.6 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71.8 | -45.2 | 174.5 | -167.4 | 155.3 | 0 | 0 | 0 | 111.9 | R349 E350 R351 L355 Q356 Q357 | R349-L353 WeakPolarHBondContact O-CB 3.46Å; R349-L353 PolarHBondContact O-N 2.82Å; E350-L353 PolarHBondContact O-N 3.2Å; R351-L353 VanDerWaalsContact C-N 3.31Å; L353-L355 VanDerWaalsContact C-N 3.3Å; L353-L355 PolarHBondContact O-N 2.88Å; L353-Q356 PolarHBondContact O-N 3.16Å; L353-Q357 WeakPolarHBondContact O-CB 3.4Å; L353-Q357 PolarHBondContact O-N 3.36Å |
| 354 | E | 94.9 | Very high | 94.9 | Very high | 88 Ų | 88 | 100.9 Ų | 100.9 | 41% | 0.411 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.3 | -43.8 | 171.1 | -74.3 | 178.9 | -154.7 | 0 | 0 | 111.2 | E350 R351 Q357 L358 | E350-E354 PolarHBondContact O-N 2.93Å; R351-E354 VanDerWaalsContact CD-CD 3.43Å; R351-E354 WeakPolarHBondContact CD-OE1 3.39Å; R351-E354 WeakPolarHBondContact CD-OE2 3.32Å; R351-E354 IonicContact CZ-OE1 2.93Å; R351-E354 VanDerWaalsContact NE-CD 3.34Å; R351-E354 IonicContact NE-OE1 2.69Å; R351-E354 PolarHBondContact NE-OE1 3.43Å; R351-E354 IonicContact NE-OE2 3.87Å; R351-E354 PolarHBondContact NE-OE2 2.96Å; R351-E354 VanDerWaalsContact NE-OE2 3.17Å; E354-Q357 PolarHBondContact O-N 2.95Å; E354-L358 WeakPolarHBondContact O-CB 3.38Å; E354-L358 PolarHBondContact O-N 3.43Å |
| 355 | L | 95.7 | Very high | 95.2 | Very high | 102 Ų | 102 | 100.1 Ų | 100.1 | 53% | 0.534 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.3 | -32.9 | 178.1 | -77.5 | 170.5 | 0 | 0 | 0 | 112.8 | R351 L353 K359 | R351-L355 WeakPolarHBondContact O-CB 3.26Å; R351-L355 WeakPolarHBondContact O-CD1 3.45Å; R351-L355 WeakPolarHBondContact O-CG 3.47Å; R351-L355 PolarHBondContact O-N 3.33Å; L353-L355 VanDerWaalsContact C-N 3.3Å; L353-L355 PolarHBondContact O-N 2.88Å; L355-K359 WeakPolarHBondContact O-CE 3.21Å; L355-K359 WeakPolarHBondContact O-CG 3.4Å; L355-K359 PolarHBondContact O-N 2.86Å |
| 356 | Q | 95.9 | Very high | 95.6 | Very high | 82 Ų | 82 | 101.6 Ų | 101.6 | 38% | 0.383 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.6 | -48.3 | 173 | -171.3 | 55.8 | 42.1 | 0 | 0 | 110.4 | E352 L353 L358 K359 D360 | E352-Q356 WeakPolarHBondContact O-CB 3.43Å; E352-Q356 PolarHBondContact O-N 2.97Å; L353-Q356 PolarHBondContact O-N 3.16Å; Q356-L358 PolarHBondContact O-N 2.98Å; Q356-K359 WeakPolarHBondContact O-CA 3.2Å; Q356-K359 WeakPolarHBondContact O-CB 3.45Å; Q356-K359 PolarHBondContact O-N 3.36Å; Q356-D360 PolarHBondContact NE2-OD1 3.12Å; Q356-D360 PolarHBondContact O-N 3.5Å |
| 357 | Q | 96.3 | Very high | 95.9 | Very high | 111 Ų | 111 | 101 Ų | 101 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.2 | -36.3 | 174.7 | -173.2 | 180 | 21.4 | 0 | 0 | 111.7 | L353 E354 D360 N361 | L353-Q357 WeakPolarHBondContact O-CB 3.4Å; L353-Q357 PolarHBondContact O-N 3.36Å; E354-Q357 PolarHBondContact O-N 2.95Å; Q357-D360 PolarHBondContact O-N 2.81Å; Q357-N361 WeakPolarHBondContact O-CB 3.32Å; Q357-N361 PolarHBondContact O-N 3.42Å; Q357-N361 PolarHBondContact O-ND2 3.46Å |
| 358 | L | 96.8 | Very high | 96 | Very high | 99 Ų | 99 | 98.7 Ų | 98.7 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -35.3 | 175.3 | -176.5 | 60.5 | 0 | 0 | 0 | 112.9 | E354 Q356 L362 | E354-L358 WeakPolarHBondContact O-CB 3.38Å; E354-L358 PolarHBondContact O-N 3.43Å; Q356-L358 PolarHBondContact O-N 2.98Å; L358-L362 HydrophobicContact CG-CD1 4.38Å; L358-L362 WeakPolarHBondContact O-CB 3.33Å; L358-L362 VanDerWaalsContact O-CG 3.24Å; L358-L362 WeakPolarHBondContact O-CG 3.35Å; L358-L362 PolarHBondContact O-N 3.36Å |
| 359 | K | 96.9 | Very high | 96.1 | Very high | 106 Ų | 106 | 98.5 Ų | 98.5 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.5 | -49.9 | 171.1 | -66.5 | 170 | -137.6 | 156.8 | 0 | 110.6 | L355 Q356 N361 L362 D363 | L355-K359 WeakPolarHBondContact O-CE 3.21Å; L355-K359 WeakPolarHBondContact O-CG 3.4Å; L355-K359 PolarHBondContact O-N 2.86Å; Q356-K359 WeakPolarHBondContact O-CA 3.2Å; Q356-K359 WeakPolarHBondContact O-CB 3.45Å; Q356-K359 PolarHBondContact O-N 3.36Å; K359-N361 PolarHBondContact O-N 2.83Å; K359-L362 CarbonylContact O-C 3.54Å; K359-L362 WeakPolarHBondContact O-CA 3.41Å; K359-L362 WeakPolarHBondContact O-CB 3.49Å; K359-L362 PolarHBondContact O-N 3.13Å; K359-D363 PolarHBondContact O-N 2.83Å |
| 360 | D | 96.6 | Very high | 96.2 | Very high | 74 Ų | 74 | 95.7 Ų | 95.7 | 40% | 0.396 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.4 | -42.6 | -179.9 | -52.8 | -24.3 | 0 | 0 | 0 | 110.3 | Q356 Q357 D363 D364 | Q356-D360 PolarHBondContact NE2-OD1 3.12Å; Q356-D360 PolarHBondContact O-N 3.5Å; Q357-D360 PolarHBondContact O-N 2.81Å; D360-D363 PolarHBondContact O-N 2.77Å; D360-D364 WeakPolarHBondContact O-CB 3.48Å; D360-D364 PolarHBondContact O-N 3.12Å |
| 361 | N | 96.9 | Very high | 96.4 | Very high | 74 Ų | 74 | 95.8 Ų | 95.8 | 40% | 0.396 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 172.4 | -85.2 | -87.5 | 0 | 0 | 0 | 113.4 | Q357 K359 N365 | Q357-N361 WeakPolarHBondContact O-CB 3.32Å; Q357-N361 PolarHBondContact O-N 3.42Å; Q357-N361 PolarHBondContact O-ND2 3.46Å; K359-N361 PolarHBondContact O-N 2.83Å; N361-N365 WeakPolarHBondContact O-CB 3.49Å; N361-N365 PolarHBondContact O-N 3.48Å; N361-N365 PolarHBondContact O-ND2 3.39Å |
| 362 | L | 96.8 | Very high | 96.6 | Very high | 104 Ų | 104 | 93.8 Ų | 93.8 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.2 | -41.1 | 177.5 | -77.2 | 167.7 | 0 | 0 | 0 | 111.2 | L358 K359 N365 E366 | L358-L362 HydrophobicContact CG-CD1 4.38Å; L358-L362 WeakPolarHBondContact O-CB 3.33Å; L358-L362 VanDerWaalsContact O-CG 3.24Å; L358-L362 WeakPolarHBondContact O-CG 3.35Å; L358-L362 PolarHBondContact O-N 3.36Å; K359-L362 CarbonylContact O-C 3.54Å; K359-L362 WeakPolarHBondContact O-CA 3.41Å; K359-L362 WeakPolarHBondContact O-CB 3.49Å; K359-L362 PolarHBondContact O-N 3.13Å; L362-N365 PolarHBondContact O-N 2.94Å; L362-E366 PolarHBondContact O-N 2.89Å |
| 363 | D | 96.4 | Very high | 96.7 | Very high | 103 Ų | 103 | 96.4 Ų | 96.4 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.1 | -44 | 175.8 | -64.2 | -10.6 | 0 | 0 | 0 | 110.8 | K359 D360 N365 E366 A367 | K359-D363 PolarHBondContact O-N 2.83Å; D360-D363 PolarHBondContact O-N 2.77Å; D363-N365 PolarHBondContact O-N 3.43Å; D363-E366 PolarHBondContact O-N 2.9Å; D363-A367 WeakPolarHBondContact O-CB 3.26Å; D363-A367 PolarHBondContact O-N 3.05Å |
| 364 | D | 96.5 | Very high | 96.7 | Very high | 115 Ų | 115 | 95.9 Ų | 95.9 | 62% | 0.615 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.8 | -41 | 172.3 | -86.5 | -19.9 | 0 | 0 | 0 | 112.2 | D360 A368 | D360-D364 WeakPolarHBondContact O-CB 3.48Å; D360-D364 PolarHBondContact O-N 3.12Å; D364-A368 WeakPolarHBondContact O-CB 3.38Å; D364-A368 PolarHBondContact O-N 3.25Å |
| 365 | N | 96.6 | Very high | 96.8 | Very high | 90 Ų | 90 | 94.6 Ų | 94.6 | 48% | 0.481 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.8 | -39.9 | 176.3 | -85.1 | -74.1 | 0 | 0 | 0 | 111.8 | N361 L362 D363 A368 I369 | N361-N365 WeakPolarHBondContact O-CB 3.49Å; N361-N365 PolarHBondContact O-N 3.48Å; N361-N365 PolarHBondContact O-ND2 3.39Å; L362-N365 PolarHBondContact O-N 2.94Å; D363-N365 PolarHBondContact O-N 3.43Å; N365-A368 PolarHBondContact O-N 3.08Å; N365-I369 WeakPolarHBondContact O-CB 3.3Å; N365-I369 WeakPolarHBondContact O-CD1 3.38Å; N365-I369 WeakPolarHBondContact O-CG1 3.34Å; N365-I369 PolarHBondContact O-N 3.32Å |
| 366 | E | 96.8 | Very high | 96.9 | Very high | 129 Ų | 129 | 94.8 Ų | 94.8 | 60% | 0.603 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.9 | -43.6 | 174.9 | -176.1 | 168.5 | 172.2 | 0 | 0 | 110.9 | L362 D363 A368 I369 C370 | L362-E366 PolarHBondContact O-N 2.89Å; D363-E366 PolarHBondContact O-N 2.9Å; E366-A368 PolarHBondContact O-N 3.16Å; E366-I369 PolarHBondContact O-N 3.19Å; E366-C370 WeakPolarHBondContact O-CB 3.13Å; E366-C370 PolarHBondContact O-N 3.44Å; E366-C370 PolarHBondContact O-SG 3.21Å |
| 367 | A | 96.9 | Very high | 97 | Very high | 59 Ų | 59 | 96.4 Ų | 96.4 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.4 | -45 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D363 C370 Q371 | D363-A367 WeakPolarHBondContact O-CB 3.26Å; D363-A367 PolarHBondContact O-N 3.05Å; A367-C370 PolarHBondContact O-N 3.17Å; A367-Q371 PolarHBondContact O-N 2.91Å |
| 368 | A | 97.5 | Very high | 97.1 | Very high | 50 Ų | 50 | 96 Ų | 96 | 41% | 0.413 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D364 N365 E366 Q371 V372 | D364-A368 WeakPolarHBondContact O-CB 3.38Å; D364-A368 PolarHBondContact O-N 3.25Å; N365-A368 PolarHBondContact O-N 3.08Å; E366-A368 PolarHBondContact O-N 3.16Å; A368-Q371 PolarHBondContact O-N 3.07Å; A368-V372 WeakPolarHBondContact O-CG2 3.26Å; A368-V372 PolarHBondContact O-N 3.28Å |
| 369 | I | 96.3 | Very high | 97.1 | Very high | 95 Ų | 95 | 97.9 Ų | 97.9 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -47.5 | 173.6 | -72.8 | 166.6 | 0 | 0 | 0 | 110.1 | N365 E366 V372 Y373 | N365-I369 WeakPolarHBondContact O-CB 3.3Å; N365-I369 WeakPolarHBondContact O-CD1 3.38Å; N365-I369 WeakPolarHBondContact O-CG1 3.34Å; N365-I369 PolarHBondContact O-N 3.32Å; E366-I369 PolarHBondContact O-N 3.19Å; I369-V372 PolarHBondContact O-N 3.06Å; I369-Y373 HydrophobicContact CG2-CD2 3.83Å; I369-Y373 HydrophobicContact CG2-CE2 3.77Å; I369-Y373 VanDerWaalsContact O-CD2 3.27Å; I369-Y373 WeakPolarHBondContact O-CD2 3.45Å; I369-Y373 PolarHBondContact O-N 2.85Å |
| 370 | C | 97.2 | Very high | 97.1 | Very high | 60 Ų | 60 | 98.4 Ų | 98.4 | 41% | 0.405 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 177.6 | -68.7 | 0 | 0 | 0 | 0 | 111.9 | E366 A367 V372 Y373 E374 | E366-C370 WeakPolarHBondContact O-CB 3.13Å; E366-C370 PolarHBondContact O-N 3.44Å; E366-C370 PolarHBondContact O-SG 3.21Å; A367-C370 PolarHBondContact O-N 3.17Å; C370-V372 PolarHBondContact O-N 3.19Å; C370-Y373 PolarHBondContact O-N 3.05Å; C370-E374 PolarHBondContact O-N 3.04Å |
| 371 | Q | 97.8 | Very high | 97.2 | Very high | 112 Ų | 112 | 99.8 Ų | 99.8 | 52% | 0.523 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 174.8 | -179.3 | -177.9 | -17.7 | 0 | 0 | 111.6 | A367 A368 Y373 E374 E375 | A367-Q371 PolarHBondContact O-N 2.91Å; A368-Q371 PolarHBondContact O-N 3.07Å; Q371-Y373 VanDerWaalsContact C-N 3.32Å; Q371-Y373 PolarHBondContact O-N 2.96Å; Q371-E374 PolarHBondContact O-N 3.31Å; Q371-E375 HydrophobicContact CG-CG 4.26Å; Q371-E375 PolarHBondContact NE2-OE1 3.41Å; Q371-E375 WeakPolarHBondContact O-CB 3.49Å; Q371-E375 WeakPolarHBondContact O-CG 3.49Å; Q371-E375 PolarHBondContact O-N 3.06Å |
| 372 | V | 97.9 | Very high | 97.2 | Very high | 93 Ų | 93 | 102.3 Ų | 102.3 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.7 | -38.4 | 179.1 | 168.6 | 0 | 0 | 0 | 0 | 111.6 | A368 I369 C370 K376 | A368-V372 WeakPolarHBondContact O-CG2 3.26Å; A368-V372 PolarHBondContact O-N 3.28Å; I369-V372 PolarHBondContact O-N 3.06Å; C370-V372 PolarHBondContact O-N 3.19Å; V372-K376 WeakPolarHBondContact O-CB 3.47Å; V372-K376 PolarHBondContact O-N 3.33Å |
| 373 | Y | 97.7 | Very high | 97.3 | Very high | 163 Ų | 163 | 102.7 Ų | 102.7 | 64% | 0.639 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.6 | -45.5 | 173.4 | -83.2 | -70.3 | 0 | 0 | 0 | 112.6 | I369 C370 Q371 K376 Q377 | I369-Y373 HydrophobicContact CG2-CD2 3.83Å; I369-Y373 HydrophobicContact CG2-CE2 3.77Å; I369-Y373 VanDerWaalsContact O-CD2 3.27Å; I369-Y373 WeakPolarHBondContact O-CD2 3.45Å; I369-Y373 PolarHBondContact O-N 2.85Å; C370-Y373 PolarHBondContact O-N 3.05Å; Q371-Y373 VanDerWaalsContact C-N 3.32Å; Q371-Y373 PolarHBondContact O-N 2.96Å; Y373-K376 PolarHBondContact O-N 2.94Å; Y373-Q377 PolarHBondContact O-N 3.33Å |
| 374 | E | 97.2 | Very high | 97.3 | Very high | 105 Ų | 105 | 103.5 Ų | 103.5 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 175.9 | -85.5 | -163.8 | -143.4 | 0 | 0 | 112.4 | C370 Q371 K376 Q377 K378 | C370-E374 PolarHBondContact O-N 3.04Å; Q371-E374 PolarHBondContact O-N 3.31Å; E374-K376 VanDerWaalsContact C-N 3.31Å; E374-K376 PolarHBondContact O-N 2.93Å; E374-Q377 PolarHBondContact O-N 2.76Å; E374-K378 WeakPolarHBondContact O-CB 3.47Å; E374-K378 WeakPolarHBondContact O-CD 3.41Å; E374-K378 VanDerWaalsContact O-CG 3.23Å; E374-K378 WeakPolarHBondContact O-CG 3.26Å; E374-K378 PolarHBondContact O-N 2.65Å; E374-K378 IonicContact OE2-NZ 3.65Å; E374-K378 PolarHBondContact OE2-NZ 2.94Å |
| 375 | E | 97.1 | Very high | 97.4 | Very high | 61 Ų | 61 | 102 Ų | 102 | 29% | 0.285 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -36 | 177.4 | -69.2 | -175.7 | -163.9 | 0 | 0 | 111.8 | Q371 K378 R379 | Q371-E375 HydrophobicContact CG-CG 4.26Å; Q371-E375 PolarHBondContact NE2-OE1 3.41Å; Q371-E375 WeakPolarHBondContact O-CB 3.49Å; Q371-E375 WeakPolarHBondContact O-CG 3.49Å; Q371-E375 PolarHBondContact O-N 3.06Å; E375-K378 PolarHBondContact O-N 3.05Å; E375-R379 WeakPolarHBondContact O-CB 3.38Å; E375-R379 VanDerWaalsContact O-CG 3.27Å; E375-R379 WeakPolarHBondContact O-CG 3.5Å; E375-R379 PolarHBondContact O-N 3.47Å; E375-R379 IonicContact OE2-CZ 3.99Å; E375-R379 IonicContact OE2-NH1 2.75Å; E375-R379 PolarHBondContact OE2-NH1 3.16Å; E375-R379 IonicContact OE2-NH2 3.14Å; E375-R379 PolarHBondContact OE2-NH2 3.32Å |
| 376 | K | 97.6 | Very high | 97.4 | Very high | 106 Ų | 106 | 104 Ų | 104 | 46% | 0.461 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.5 | -39.3 | 176.6 | -171.2 | 180 | -175.3 | -175.6 | 0 | 111.6 | V372 Y373 E374 R379 F380 | V372-K376 WeakPolarHBondContact O-CB 3.47Å; V372-K376 PolarHBondContact O-N 3.33Å; Y373-K376 PolarHBondContact O-N 2.94Å; E374-K376 VanDerWaalsContact C-N 3.31Å; E374-K376 PolarHBondContact O-N 2.93Å; K376-R379 PolarHBondContact O-N 3.06Å; K376-F380 HydrophobicContact CD-CE2 4.15Å; K376-F380 HydrophobicContact CG-CD2 4.13Å; K376-F380 HydrophobicContact CG-CE2 3.76Å; K376-F380 HydrophobicContact CG-CZ 4.35Å; K376-F380 VanDerWaalsContact O-CD2 3.31Å; K376-F380 WeakPolarHBondContact O-CD2 3.41Å; K376-F380 PolarHBondContact O-N 3.09Å |
| 377 | Q | 96.9 | Very high | 97.5 | Very high | 116 Ų | 116 | 102.8 Ų | 102.8 | 54% | 0.542 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -51.7 | 170.9 | 177.5 | 177.7 | -19.7 | 0 | 0 | 110.8 | Y373 E374 R379 F380 E381 | Y373-Q377 PolarHBondContact O-N 3.33Å; E374-Q377 PolarHBondContact O-N 2.76Å; Q377-R379 VanDerWaalsContact C-N 3.27Å; Q377-R379 PolarHBondContact O-N 3.46Å; Q377-F380 PolarHBondContact O-N 2.91Å; Q377-F380 VanDerWaalsContact O-N 3.09Å; Q377-E381 HydrophobicContact CG-CG 4.37Å; Q377-E381 VanDerWaalsContact CG-OE1 3.3Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.28Å; Q377-E381 PolarHBondContact NE2-OE1 3.45Å; Q377-E381 WeakPolarHBondContact O-CG 3.5Å; Q377-E381 PolarHBondContact O-N 3.01Å |
| 378 | K | 97.8 | Very high | 97.5 | Very high | 103 Ų | 103 | 108.4 Ų | 108.4 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.9 | -36.5 | 179 | -67.9 | 160.4 | -165.5 | 168.4 | 0 | 112.2 | E374 E375 L382 | E374-K378 WeakPolarHBondContact O-CB 3.47Å; E374-K378 WeakPolarHBondContact O-CD 3.41Å; E374-K378 VanDerWaalsContact O-CG 3.23Å; E374-K378 WeakPolarHBondContact O-CG 3.26Å; E374-K378 PolarHBondContact O-N 2.65Å; E374-K378 IonicContact OE2-NZ 3.65Å; E374-K378 PolarHBondContact OE2-NZ 2.94Å; E375-K378 PolarHBondContact O-N 3.05Å; K378-L382 VanDerWaalsContact O-CG 3.31Å; K378-L382 WeakPolarHBondContact O-CG 3.39Å; K378-L382 PolarHBondContact O-N 3.18Å; K378-L382 VanDerWaalsContact O-N 3.15Å |
| 379 | R | 97.3 | Very high | 97.6 | Very high | 137 Ų | 137 | 111.2 Ų | 111.2 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -48.3 | 172.3 | -74.6 | 172.8 | -174.2 | 112.2 | 9.6 | 112 | E375 K376 Q377 E381 L382 E383 | E375-R379 WeakPolarHBondContact O-CB 3.38Å; E375-R379 VanDerWaalsContact O-CG 3.27Å; E375-R379 WeakPolarHBondContact O-CG 3.5Å; E375-R379 PolarHBondContact O-N 3.47Å; E375-R379 IonicContact OE2-CZ 3.99Å; E375-R379 IonicContact OE2-NH1 2.75Å; E375-R379 PolarHBondContact OE2-NH1 3.16Å; E375-R379 IonicContact OE2-NH2 3.14Å; E375-R379 PolarHBondContact OE2-NH2 3.32Å; K376-R379 PolarHBondContact O-N 3.06Å; Q377-R379 VanDerWaalsContact C-N 3.27Å; Q377-R379 PolarHBondContact O-N 3.46Å; R379-E381 VanDerWaalsContact C-N 3.33Å; R379-E381 PolarHBondContact O-N 3.21Å; R379-L382 PolarHBondContact O-N 3.32Å; R379-E383 WeakPolarHBondContact O-CG 3.44Å; R379-E383 PolarHBondContact O-N 3.17Å |
| 380 | F | 97.9 | Very high | 97.7 | Very high | 117 Ų | 117 | 108.9 Ų | 108.9 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 176.5 | -74.1 | -43.9 | 0 | 0 | 0 | 113.3 | K376 Q377 E383 L384 | K376-F380 HydrophobicContact CD-CE2 4.15Å; K376-F380 HydrophobicContact CG-CD2 4.13Å; K376-F380 HydrophobicContact CG-CE2 3.76Å; K376-F380 HydrophobicContact CG-CZ 4.35Å; K376-F380 VanDerWaalsContact O-CD2 3.31Å; K376-F380 WeakPolarHBondContact O-CD2 3.41Å; K376-F380 PolarHBondContact O-N 3.09Å; Q377-F380 PolarHBondContact O-N 2.91Å; Q377-F380 VanDerWaalsContact O-N 3.09Å; F380-E383 PolarHBondContact O-N 3.46Å; F380-L384 VanDerWaalsContact O-CB 3.24Å; F380-L384 WeakPolarHBondContact O-CB 3.3Å; F380-L384 PolarHBondContact O-N 2.73Å |
| 381 | E | 97.6 | Very high | 97.7 | Very high | 104 Ų | 104 | 109.5 Ų | 109.5 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 175.4 | -73.2 | 170.5 | 178.6 | 0 | 0 | 111.5 | Q377 R379 E385 | Q377-E381 HydrophobicContact CG-CG 4.37Å; Q377-E381 VanDerWaalsContact CG-OE1 3.3Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.28Å; Q377-E381 PolarHBondContact NE2-OE1 3.45Å; Q377-E381 WeakPolarHBondContact O-CG 3.5Å; Q377-E381 PolarHBondContact O-N 3.01Å; R379-E381 VanDerWaalsContact C-N 3.33Å; R379-E381 PolarHBondContact O-N 3.21Å; E381-E385 PolarHBondContact O-N 2.92Å; E381-E385 VanDerWaalsContact O-N 3.12Å |
| 382 | L | 97.8 | Very high | 97.7 | Very high | 126 Ų | 126 | 106.6 Ų | 106.6 | 66% | 0.66 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.1 | -45.7 | 174.1 | -70.7 | 169 | 0 | 0 | 0 | 112.5 | K378 R379 L384 E385 E386 | K378-L382 VanDerWaalsContact O-CG 3.31Å; K378-L382 WeakPolarHBondContact O-CG 3.39Å; K378-L382 PolarHBondContact O-N 3.18Å; K378-L382 VanDerWaalsContact O-N 3.15Å; R379-L382 PolarHBondContact O-N 3.32Å; L382-L384 VanDerWaalsContact C-N 3.31Å; L382-L384 PolarHBondContact O-N 2.97Å; L382-E385 PolarHBondContact O-N 2.93Å; L382-E386 WeakPolarHBondContact O-CB 3.36Å; L382-E386 PolarHBondContact O-N 3.16Å |
| 383 | E | 97.7 | Very high | 97.7 | Very high | 113 Ų | 113 | 106 Ų | 106 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -40.1 | 176.5 | -74.1 | 172.6 | -167.1 | 0 | 0 | 111.9 | R379 F380 L387 | R379-E383 WeakPolarHBondContact O-CG 3.44Å; R379-E383 PolarHBondContact O-N 3.17Å; F380-E383 PolarHBondContact O-N 3.46Å; E383-L387 VanDerWaalsContact O-CB 3.26Å; E383-L387 WeakPolarHBondContact O-CB 3.43Å; E383-L387 PolarHBondContact O-N 3.32Å |
| 384 | L | 97.8 | Very high | 97.8 | Very high | 120 Ų | 120 | 105.8 Ų | 105.8 | 63% | 0.628 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.1 | -40.9 | 177.9 | -178.7 | 61.6 | 0 | 0 | 0 | 111.9 | F380 L382 L387 R388 | F380-L384 VanDerWaalsContact O-CB 3.24Å; F380-L384 WeakPolarHBondContact O-CB 3.3Å; F380-L384 PolarHBondContact O-N 2.73Å; L382-L384 VanDerWaalsContact C-N 3.31Å; L382-L384 PolarHBondContact O-N 2.97Å; L384-L387 PolarHBondContact O-N 2.96Å; L384-R388 WeakPolarHBondContact O-CB 3.37Å; L384-R388 PolarHBondContact O-N 3.17Å |
| 385 | E | 97.5 | Very high | 97.8 | Very high | 82 Ų | 82 | 107.1 Ų | 107.1 | 38% | 0.383 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.5 | -37.9 | 178 | -175.6 | 53.6 | -150.5 | 0 | 0 | 111.9 | E381 L382 L387 R388 Q389 | E381-E385 PolarHBondContact O-N 2.92Å; E381-E385 VanDerWaalsContact O-N 3.12Å; L382-E385 PolarHBondContact O-N 2.93Å; E385-L387 VanDerWaalsContact C-N 3.34Å; E385-L387 PolarHBondContact O-N 3.26Å; E385-R388 WeakPolarHBondContact O-CB 3.45Å; E385-R388 PolarHBondContact O-N 3.49Å; E385-R388 WeakPolarHBondContact OE2-CD 3.37Å; E385-Q389 WeakPolarHBondContact O-CB 3.34Å; E385-Q389 WeakPolarHBondContact O-CG 3.3Å; E385-Q389 PolarHBondContact O-N 2.85Å; E385-Q389 WeakPolarHBondContact OE1-CG 3.44Å; E385-Q389 PolarHBondContact OE1-NE2 3.03Å |
| 386 | E | 97.8 | Very high | 97.9 | Very high | 133 Ų | 133 | 110 Ų | 110 | 62% | 0.621 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.7 | -43 | 170.4 | -176.4 | 178.8 | -175.2 | 0 | 0 | 111.2 | L382 R388 Q389 S390 | L382-E386 WeakPolarHBondContact O-CB 3.36Å; L382-E386 PolarHBondContact O-N 3.16Å; E386-R388 VanDerWaalsContact C-N 3.35Å; E386-R388 PolarHBondContact O-N 2.92Å; E386-Q389 PolarHBondContact O-N 3.38Å; E386-S390 WeakPolarHBondContact O-CB 3.48Å; E386-S390 PolarHBondContact O-N 3.36Å; E386-S390 PolarHBondContact O-OG 3.18Å |
| 387 | L | 97.9 | Very high | 97.9 | Very high | 104 Ų | 104 | 109 Ų | 109 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 175.6 | -179 | 60.1 | 0 | 0 | 0 | 111.8 | E383 L384 E385 C391 | E383-L387 VanDerWaalsContact O-CB 3.26Å; E383-L387 WeakPolarHBondContact O-CB 3.43Å; E383-L387 PolarHBondContact O-N 3.32Å; L384-L387 PolarHBondContact O-N 2.96Å; E385-L387 VanDerWaalsContact C-N 3.34Å; E385-L387 PolarHBondContact O-N 3.26Å; L387-C391 VanDerWaalsContact O-CB 3.31Å; L387-C391 WeakPolarHBondContact O-CB 3.49Å; L387-C391 PolarHBondContact O-N 3.28Å |
| 388 | R | 98.3 | Very high | 98 | Very high | 176 Ų | 176 | 106.2 Ų | 106.2 | 66% | 0.664 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.2 | -50.1 | 175.3 | -172.7 | -168 | -176.5 | 83.3 | -0.1 | 111.2 | L384 E385 E386 C391 A392 | L384-R388 WeakPolarHBondContact O-CB 3.37Å; L384-R388 PolarHBondContact O-N 3.17Å; E385-R388 WeakPolarHBondContact O-CB 3.45Å; E385-R388 PolarHBondContact O-N 3.49Å; E385-R388 WeakPolarHBondContact OE2-CD 3.37Å; E386-R388 VanDerWaalsContact C-N 3.35Å; E386-R388 PolarHBondContact O-N 2.92Å; R388-C391 WeakPolarHBondContact O-CB 3.28Å; R388-C391 PolarHBondContact O-N 3.43Å; R388-A392 PolarHBondContact O-N 2.98Å |
| 389 | Q | 98.2 | Very high | 98 | Very high | 110 Ų | 110 | 105 Ų | 105 | 51% | 0.514 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 178.1 | -68.6 | 177.1 | 20.1 | 0 | 0 | 111.7 | E385 E386 C391 A392 T393 | E385-Q389 WeakPolarHBondContact O-CB 3.34Å; E385-Q389 WeakPolarHBondContact O-CG 3.3Å; E385-Q389 PolarHBondContact O-N 2.85Å; E385-Q389 WeakPolarHBondContact OE1-CG 3.44Å; E385-Q389 PolarHBondContact OE1-NE2 3.03Å; E386-Q389 PolarHBondContact O-N 3.38Å; Q389-C391 VanDerWaalsContact C-N 3.29Å; Q389-C391 PolarHBondContact O-N 3.29Å; Q389-A392 PolarHBondContact O-N 2.88Å; Q389-T393 WeakPolarHBondContact O-CB 3.46Å; Q389-T393 PolarHBondContact O-N 2.78Å; Q389-T393 PolarHBondContact O-OG1 3.22Å |
| 390 | S | 98.2 | Very high | 98 | Very high | 46 Ų | 46 | 101.8 Ų | 101.8 | 32% | 0.322 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.5 | -33.6 | 172.9 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | E386 R394 | E386-S390 WeakPolarHBondContact O-CB 3.48Å; E386-S390 PolarHBondContact O-N 3.36Å; E386-S390 PolarHBondContact O-OG 3.18Å; S390-R394 WeakPolarHBondContact O-CB 3.27Å; S390-R394 VanDerWaalsContact O-CG 3.24Å; S390-R394 WeakPolarHBondContact O-CG 3.45Å; S390-R394 PolarHBondContact O-N 2.99Å; S390-R394 PolarHBondContact O-NE 2.98Å |
| 391 | C | 98 | Very high | 98.1 | Very high | 73 Ų | 73 | 103.6 Ų | 103.6 | 49% | 0.493 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.2 | -51 | 172.5 | -168 | 0 | 0 | 0 | 0 | 111.3 | L387 R388 Q389 T393 R394 M395 | L387-C391 VanDerWaalsContact O-CB 3.31Å; L387-C391 WeakPolarHBondContact O-CB 3.49Å; L387-C391 PolarHBondContact O-N 3.28Å; R388-C391 WeakPolarHBondContact O-CB 3.28Å; R388-C391 PolarHBondContact O-N 3.43Å; Q389-C391 VanDerWaalsContact C-N 3.29Å; Q389-C391 PolarHBondContact O-N 3.29Å; C391-T393 PolarHBondContact O-N 3.03Å; C391-R394 PolarHBondContact O-N 2.9Å; C391-M395 WeakPolarHBondContact O-CB 3.41Å; C391-M395 PolarHBondContact O-N 3.21Å |
| 392 | A | 98.3 | Very high | 98.1 | Very high | 51 Ų | 51 | 101.5 Ų | 101.5 | 42% | 0.421 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58 | -45.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R388 Q389 M395 Q396 | R388-A392 PolarHBondContact O-N 2.98Å; Q389-A392 PolarHBondContact O-N 2.88Å; A392-M395 PolarHBondContact O-N 2.92Å; A392-Q396 WeakPolarHBondContact O-CB 3.22Å; A392-Q396 PolarHBondContact O-N 2.9Å |
| 393 | T | 98.2 | Very high | 98.1 | Very high | 81 Ų | 81 | 100.7 Ų | 100.7 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 178.7 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | Q389 C391 M395 Q396 V397 | Q389-T393 WeakPolarHBondContact O-CB 3.46Å; Q389-T393 PolarHBondContact O-N 2.78Å; Q389-T393 PolarHBondContact O-OG1 3.22Å; C391-T393 PolarHBondContact O-N 3.03Å; T393-M395 VanDerWaalsContact C-N 3.35Å; T393-M395 PolarHBondContact O-N 2.84Å; T393-Q396 PolarHBondContact O-N 3.33Å; T393-V397 HydrophobicContact CG2-CG2 4.49Å; T393-V397 WeakPolarHBondContact O-CB 3.44Å; T393-V397 WeakPolarHBondContact O-CG2 3.47Å; T393-V397 PolarHBondContact O-N 3.4Å |
| 394 | R | 98.4 | Very high | 98.2 | Very high | 158 Ų | 158 | 102.2 Ų | 102.2 | 60% | 0.596 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -41.9 | 175.3 | -77.1 | 179.3 | -68.5 | -175.9 | -0.2 | 111.9 | S390 C391 A398 | S390-R394 WeakPolarHBondContact O-CB 3.27Å; S390-R394 VanDerWaalsContact O-CG 3.24Å; S390-R394 WeakPolarHBondContact O-CG 3.45Å; S390-R394 PolarHBondContact O-N 2.99Å; S390-R394 PolarHBondContact O-NE 2.98Å; C391-R394 PolarHBondContact O-N 2.9Å; R394-A398 VanDerWaalsContact O-CB 3.26Å; R394-A398 WeakPolarHBondContact O-CB 3.47Å; R394-A398 PolarHBondContact O-N 3.43Å |
| 395 | M | 98.1 | Very high | 98.2 | Very high | 133 Ų | 133 | 98.9 Ų | 98.9 | 66% | 0.655 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.4 | -43.4 | 175.9 | -175.7 | 174.2 | 65.5 | 0 | 0 | 112.1 | C391 A392 T393 A398 S399 | C391-M395 WeakPolarHBondContact O-CB 3.41Å; C391-M395 PolarHBondContact O-N 3.21Å; A392-M395 PolarHBondContact O-N 2.92Å; T393-M395 VanDerWaalsContact C-N 3.35Å; T393-M395 PolarHBondContact O-N 2.84Å; M395-A398 PolarHBondContact O-N 3.07Å; M395-S399 WeakPolarHBondContact O-CB 3.35Å; M395-S399 PolarHBondContact O-N 3Å |
| 396 | Q | 98.4 | Very high | 98.2 | Very high | 121 Ų | 121 | 101.3 Ų | 101.3 | 57% | 0.565 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 177.4 | -168.3 | -173.4 | 25.8 | 0 | 0 | 111.7 | A392 T393 S399 Q400 | A392-Q396 WeakPolarHBondContact O-CB 3.22Å; A392-Q396 PolarHBondContact O-N 2.9Å; T393-Q396 PolarHBondContact O-N 3.33Å; Q396-S399 PolarHBondContact O-N 3.22Å; Q396-Q400 WeakPolarHBondContact O-CG 3.43Å; Q396-Q400 PolarHBondContact O-N 2.92Å |
| 397 | V | 98.3 | Very high | 98.3 | Very high | 85 Ų | 85 | 99.8 Ų | 99.8 | 52% | 0.515 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | T393 Q400 K401 | T393-V397 HydrophobicContact CG2-CG2 4.49Å; T393-V397 WeakPolarHBondContact O-CB 3.44Å; T393-V397 WeakPolarHBondContact O-CG2 3.47Å; T393-V397 PolarHBondContact O-N 3.4Å; V397-Q400 PolarHBondContact O-N 3.45Å; V397-K401 VanDerWaalsContact O-CB 3.32Å; V397-K401 WeakPolarHBondContact O-CB 3.46Å; V397-K401 PolarHBondContact O-N 3.14Å |
| 398 | A | 98.2 | Very high | 98.3 | Very high | 58 Ų | 58 | 99.3 Ų | 99.3 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | R394 M395 K401 A402 | R394-A398 VanDerWaalsContact O-CB 3.26Å; R394-A398 WeakPolarHBondContact O-CB 3.47Å; R394-A398 PolarHBondContact O-N 3.43Å; M395-A398 PolarHBondContact O-N 3.07Å; A398-K401 PolarHBondContact O-N 3.1Å; A398-A402 WeakPolarHBondContact O-CB 3.33Å; A398-A402 PolarHBondContact O-N 2.96Å |
| 399 | S | 97.9 | Very high | 98.3 | Very high | 76 Ų | 76 | 95.7 Ų | 95.7 | 53% | 0.531 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 176 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | M395 Q396 K401 A402 Q403 | M395-S399 WeakPolarHBondContact O-CB 3.35Å; M395-S399 PolarHBondContact O-N 3Å; Q396-S399 PolarHBondContact O-N 3.22Å; S399-K401 VanDerWaalsContact C-N 3.31Å; S399-K401 PolarHBondContact O-N 2.84Å; S399-A402 PolarHBondContact O-N 2.95Å; S399-Q403 PolarHBondContact O-N 3.26Å |
| 400 | Q | 98.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 97.1 Ų | 97.1 | 33% | 0.332 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 175 | -71.9 | -178 | 21.6 | 0 | 0 | 112.6 | Q396 V397 Q403 R404 | Q396-Q400 WeakPolarHBondContact O-CG 3.43Å; Q396-Q400 PolarHBondContact O-N 2.92Å; V397-Q400 PolarHBondContact O-N 3.45Å; Q400-Q403 PolarHBondContact O-N 3.42Å; Q400-R404 WeakPolarHBondContact O-CG 3.41Å; Q400-R404 PolarHBondContact O-N 2.98Å |
| 401 | K | 98.4 | Very high | 98.3 | Very high | 154 Ų | 154 | 100.8 Ų | 100.8 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.7 | -42.5 | 176.7 | -174.7 | 179.6 | 178.2 | -177.6 | 0 | 111.4 | V397 A398 S399 R404 A405 | V397-K401 VanDerWaalsContact O-CB 3.32Å; V397-K401 WeakPolarHBondContact O-CB 3.46Å; V397-K401 PolarHBondContact O-N 3.14Å; A398-K401 PolarHBondContact O-N 3.1Å; S399-K401 VanDerWaalsContact C-N 3.31Å; S399-K401 PolarHBondContact O-N 2.84Å; K401-R404 PolarHBondContact O-N 3.47Å; K401-A405 WeakPolarHBondContact O-CB 3.21Å; K401-A405 PolarHBondContact O-N 3.26Å |
| 402 | A | 98.1 | Very high | 98.4 | Very high | 61 Ų | 61 | 102.6 Ų | 102.6 | 50% | 0.504 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A398 S399 R404 A405 Q406 | A398-A402 WeakPolarHBondContact O-CB 3.33Å; A398-A402 PolarHBondContact O-N 2.96Å; S399-A402 PolarHBondContact O-N 2.95Å; A402-R404 PolarHBondContact O-N 2.91Å; A402-A405 PolarHBondContact O-N 3.28Å; A402-Q406 WeakPolarHBondContact O-CB 3.42Å; A402-Q406 PolarHBondContact O-N 3.46Å |
| 403 | Q | 98.6 | Very high | 98.4 | Very high | 108 Ų | 108 | 103.9 Ų | 103.9 | 51% | 0.505 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 176.9 | -169.7 | -176.7 | 20.7 | 0 | 0 | 112.3 | S399 Q400 Q406 Q407 | S399-Q403 PolarHBondContact O-N 3.26Å; Q400-Q403 PolarHBondContact O-N 3.42Å; Q403-Q406 PolarHBondContact O-N 3.38Å; Q403-Q407 WeakPolarHBondContact O-CG 3.32Å; Q403-Q407 PolarHBondContact O-N 2.93Å |
| 404 | R | 98.4 | Very high | 98.4 | Very high | 145 Ų | 145 | 106.4 Ų | 106.4 | 55% | 0.547 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 175.1 | -69.7 | 173.2 | -165.3 | 135.9 | 13 | 111.9 | Q400 K401 A402 Q407 V408 | Q400-R404 WeakPolarHBondContact O-CG 3.41Å; Q400-R404 PolarHBondContact O-N 2.98Å; K401-R404 PolarHBondContact O-N 3.47Å; A402-R404 PolarHBondContact O-N 2.91Å; R404-Q407 PolarHBondContact O-N 2.96Å; R404-V408 WeakPolarHBondContact O-CG2 3.38Å; R404-V408 PolarHBondContact O-N 2.94Å; R404-V408 VanDerWaalsContact O-N 3.07Å |
| 405 | A | 98.2 | Very high | 98.4 | Very high | 50 Ų | 50 | 103.1 Ų | 103.1 | 41% | 0.413 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K401 A402 Q407 V408 L409 | K401-A405 WeakPolarHBondContact O-CB 3.21Å; K401-A405 PolarHBondContact O-N 3.26Å; A402-A405 PolarHBondContact O-N 3.28Å; A405-Q407 PolarHBondContact O-N 3.01Å; A405-V408 PolarHBondContact O-N 3.36Å; A405-L409 WeakPolarHBondContact O-CB 3.47Å; A405-L409 WeakPolarHBondContact O-CG 3.46Å; A405-L409 PolarHBondContact O-N 3.4Å |
| 406 | Q | 98.4 | Very high | 98.5 | Very high | 133 Ų | 133 | 101.4 Ų | 101.4 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.9 | -43 | 174.9 | -175.1 | -178.1 | 3.3 | 0 | 0 | 111.9 | A402 Q403 L409 Q410 | A402-Q406 WeakPolarHBondContact O-CB 3.42Å; A402-Q406 PolarHBondContact O-N 3.46Å; Q403-Q406 PolarHBondContact O-N 3.38Å; Q406-L409 PolarHBondContact O-N 3.37Å; Q406-Q410 WeakPolarHBondContact O-CB 3.44Å; Q406-Q410 PolarHBondContact O-N 2.94Å |
| 407 | Q | 98.6 | Very high | 98.5 | Very high | 101 Ų | 101 | 101.3 Ų | 101.3 | 47% | 0.472 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 175.9 | -72.7 | 168.9 | -18.3 | 0 | 0 | 112 | Q403 R404 A405 Q410 L411 | Q403-Q407 WeakPolarHBondContact O-CG 3.32Å; Q403-Q407 PolarHBondContact O-N 2.93Å; R404-Q407 PolarHBondContact O-N 2.96Å; A405-Q407 PolarHBondContact O-N 3.01Å; Q407-Q410 PolarHBondContact O-N 3.41Å; Q407-L411 WeakPolarHBondContact O-CG 3.4Å; Q407-L411 PolarHBondContact O-N 2.74Å; Q407-L411 VanDerWaalsContact O-N 3.08Å |
| 408 | V | 98.6 | Very high | 98.5 | Very high | 94 Ų | 94 | 101.7 Ų | 101.7 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.4 | -42.9 | 176.8 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | R404 A405 Q410 L411 Q412 | R404-V408 WeakPolarHBondContact O-CG2 3.38Å; R404-V408 PolarHBondContact O-N 2.94Å; R404-V408 VanDerWaalsContact O-N 3.07Å; A405-V408 PolarHBondContact O-N 3.36Å; V408-Q410 VanDerWaalsContact C-N 3.34Å; V408-Q410 PolarHBondContact O-N 2.93Å; V408-L411 PolarHBondContact O-N 3.11Å; V408-Q412 PolarHBondContact O-N 3.01Å |
| 409 | L | 98.7 | Very high | 98.5 | Very high | 100 Ų | 100 | 103 Ų | 103 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 175.5 | -72.4 | 169.5 | 0 | 0 | 0 | 112.1 | A405 Q406 Q412 V413 | A405-L409 WeakPolarHBondContact O-CB 3.47Å; A405-L409 WeakPolarHBondContact O-CG 3.46Å; A405-L409 PolarHBondContact O-N 3.4Å; Q406-L409 PolarHBondContact O-N 3.37Å; L409-Q412 PolarHBondContact O-N 3.32Å; L409-V413 WeakPolarHBondContact O-CG2 3.35Å; L409-V413 PolarHBondContact O-N 3.26Å |
| 410 | Q | 98.7 | Very high | 98.5 | Very high | 141 Ų | 141 | 105.7 Ų | 105.7 | 66% | 0.659 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 176.3 | -171.5 | 175.6 | 15.3 | 0 | 0 | 111.8 | Q406 Q407 V408 V413 Y414 | Q406-Q410 WeakPolarHBondContact O-CB 3.44Å; Q406-Q410 PolarHBondContact O-N 2.94Å; Q407-Q410 PolarHBondContact O-N 3.41Å; V408-Q410 VanDerWaalsContact C-N 3.34Å; V408-Q410 PolarHBondContact O-N 2.93Å; Q410-V413 PolarHBondContact O-N 3.08Å; Q410-Y414 PolarHBondContact O-N 3.03Å |
| 411 | L | 98.6 | Very high | 98.6 | Very high | 123 Ų | 123 | 107.9 Ų | 107.9 | 64% | 0.644 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 173.3 | -68.6 | 171.6 | 0 | 0 | 0 | 112 | Q407 V408 Y414 Q415 | Q407-L411 WeakPolarHBondContact O-CG 3.4Å; Q407-L411 PolarHBondContact O-N 2.74Å; Q407-L411 VanDerWaalsContact O-N 3.08Å; V408-L411 PolarHBondContact O-N 3.11Å; L411-Y414 PolarHBondContact O-N 2.92Å; L411-Q415 WeakPolarHBondContact O-CB 3.24Å; L411-Q415 PolarHBondContact O-N 2.94Å |
| 412 | Q | 98.5 | Very high | 98.6 | Very high | 111 Ų | 111 | 106.3 Ų | 106.3 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 176.8 | -170.4 | 178.1 | 16.1 | 0 | 0 | 112.2 | V408 L409 Y414 Q415 L416 | V408-Q412 PolarHBondContact O-N 3.01Å; L409-Q412 PolarHBondContact O-N 3.32Å; Q412-Y414 VanDerWaalsContact C-N 3.34Å; Q412-Q415 PolarHBondContact O-N 3.32Å; Q412-L416 HydrophobicContact CG-CD1 4.19Å; Q412-L416 WeakPolarHBondContact O-CB 3.39Å; Q412-L416 VanDerWaalsContact O-CG 3.32Å; Q412-L416 WeakPolarHBondContact O-CG 3.41Å; Q412-L416 PolarHBondContact O-N 3.33Å |
| 413 | V | 98.6 | Very high | 98.6 | Very high | 78 Ų | 78 | 108.9 Ų | 108.9 | 47% | 0.473 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 174.1 | 168.1 | 0 | 0 | 0 | 0 | 111 | L409 Q410 L416 Q417 | L409-V413 WeakPolarHBondContact O-CG2 3.35Å; L409-V413 PolarHBondContact O-N 3.26Å; Q410-V413 PolarHBondContact O-N 3.08Å; V413-L416 PolarHBondContact O-N 3Å; V413-Q417 WeakPolarHBondContact O-CB 3.2Å; V413-Q417 VanDerWaalsContact O-CG 3.25Å; V413-Q417 WeakPolarHBondContact O-CG 3.34Å; V413-Q417 PolarHBondContact O-N 2.91Å |
| 414 | Y | 98.7 | Very high | 98.6 | Very high | 134 Ų | 134 | 109.1 Ų | 109.1 | 53% | 0.525 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 176.7 | -178.1 | -105.1 | 0 | 0 | 0 | 112.4 | Q410 L411 Q412 Q417 Q418 | Q410-Y414 PolarHBondContact O-N 3.03Å; L411-Y414 PolarHBondContact O-N 2.92Å; Q412-Y414 VanDerWaalsContact C-N 3.34Å; Y414-Q417 WeakPolarHBondContact O-CB 3.41Å; Y414-Q417 PolarHBondContact O-N 3.46Å; Y414-Q418 HydrophobicContact CE1-CG 4.26Å; Y414-Q418 VanDerWaalsContact CZ-NE2 3.31Å; Y414-Q418 PolarHBondContact O-N 3.34Å; Y414-Q418 PolarHBondContact OH-NE2 3.03Å |
| 415 | Q | 98.8 | Very high | 98.6 | Very high | 88 Ų | 88 | 106.9 Ų | 106.9 | 41% | 0.411 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 175 | -178.1 | 61.1 | 30.6 | 0 | 0 | 111.5 | L411 Q412 Q417 Q418 E419 | L411-Q415 WeakPolarHBondContact O-CB 3.24Å; L411-Q415 PolarHBondContact O-N 2.94Å; Q412-Q415 PolarHBondContact O-N 3.32Å; Q415-Q417 VanDerWaalsContact C-N 3.26Å; Q415-Q417 PolarHBondContact O-N 3.24Å; Q415-Q418 PolarHBondContact O-N 2.92Å; Q415-Q418 VanDerWaalsContact O-N 3.13Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.33Å; Q415-E419 PolarHBondContact NE2-OE1 3.25Å; Q415-E419 WeakPolarHBondContact O-CG 3.47Å; Q415-E419 PolarHBondContact O-N 2.99Å |
| 416 | L | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 108 Ų | 108 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -29.6 | 177.3 | -70.7 | 169.8 | 0 | 0 | 0 | 112.8 | Q412 V413 K420 | Q412-L416 HydrophobicContact CG-CD1 4.19Å; Q412-L416 WeakPolarHBondContact O-CB 3.39Å; Q412-L416 VanDerWaalsContact O-CG 3.32Å; Q412-L416 WeakPolarHBondContact O-CG 3.41Å; Q412-L416 PolarHBondContact O-N 3.33Å; V413-L416 PolarHBondContact O-N 3Å; L416-K420 VanDerWaalsContact O-CB 3.23Å; L416-K420 WeakPolarHBondContact O-CB 3.48Å; L416-K420 PolarHBondContact O-N 2.86Å |
| 417 | Q | 98.7 | Very high | 98.7 | Very high | 118 Ų | 118 | 107.9 Ų | 107.9 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.1 | -39.6 | 172.3 | -75.2 | 171.3 | 4.1 | 0 | 0 | 112.2 | V413 Y414 Q415 K421 | V413-Q417 WeakPolarHBondContact O-CB 3.2Å; V413-Q417 VanDerWaalsContact O-CG 3.25Å; V413-Q417 WeakPolarHBondContact O-CG 3.34Å; V413-Q417 PolarHBondContact O-N 2.91Å; Y414-Q417 WeakPolarHBondContact O-CB 3.41Å; Y414-Q417 PolarHBondContact O-N 3.46Å; Q415-Q417 VanDerWaalsContact C-N 3.26Å; Q415-Q417 PolarHBondContact O-N 3.24Å; Q417-K421 WeakPolarHBondContact O-CB 3.32Å; Q417-K421 PolarHBondContact O-N 2.9Å |
| 418 | Q | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 105.7 Ų | 105.7 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -46.7 | 172.5 | -69.1 | -165.4 | -5 | 0 | 0 | 111.6 | Y414 Q415 K420 K421 K422 | Y414-Q418 HydrophobicContact CE1-CG 4.26Å; Y414-Q418 VanDerWaalsContact CZ-NE2 3.31Å; Y414-Q418 PolarHBondContact O-N 3.34Å; Y414-Q418 PolarHBondContact OH-NE2 3.03Å; Q415-Q418 PolarHBondContact O-N 2.92Å; Q415-Q418 VanDerWaalsContact O-N 3.13Å; Q418-K420 PolarHBondContact O-N 3.37Å; Q418-K421 PolarHBondContact O-N 2.97Å; Q418-K422 PolarHBondContact O-N 3.04Å |
| 419 | E | 98.5 | Very high | 98.7 | Very high | 87 Ų | 87 | 105.9 Ų | 105.9 | 41% | 0.407 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 178.2 | -73.3 | 170.9 | -169.8 | 0 | 0 | 111.6 | Q415 K421 K422 L423 | Q415-E419 WeakPolarHBondContact CG-OE1 3.33Å; Q415-E419 PolarHBondContact NE2-OE1 3.25Å; Q415-E419 WeakPolarHBondContact O-CG 3.47Å; Q415-E419 PolarHBondContact O-N 2.99Å; E419-K421 PolarHBondContact O-N 3.07Å; E419-K422 PolarHBondContact O-N 2.88Å; E419-L423 WeakPolarHBondContact O-CD1 3.4Å; E419-L423 PolarHBondContact O-N 3.44Å |
| 420 | K | 98.6 | Very high | 98.7 | Very high | 131 Ų | 131 | 106.3 Ų | 106.3 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.2 | -49.2 | 171.7 | 178.6 | -174.4 | 172.3 | -176.5 | 0 | 111.5 | L416 Q418 K422 L423 Q424 | L416-K420 VanDerWaalsContact O-CB 3.23Å; L416-K420 WeakPolarHBondContact O-CB 3.48Å; L416-K420 PolarHBondContact O-N 2.86Å; Q418-K420 PolarHBondContact O-N 3.37Å; K420-K422 VanDerWaalsContact C-N 3.33Å; K420-K422 PolarHBondContact O-N 3.41Å; K420-L423 PolarHBondContact O-N 2.86Å; K420-Q424 VanDerWaalsContact O-CG 3.31Å; K420-Q424 WeakPolarHBondContact O-CG 3.22Å; K420-Q424 PolarHBondContact O-N 3.21Å |
| 421 | K | 98.8 | Very high | 98.7 | Very high | 117 Ų | 117 | 103 Ų | 103 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 179.9 | -179 | 174.4 | 179.5 | -69.4 | 0 | 111.2 | Q417 Q418 E419 Q424 E425 | Q417-K421 WeakPolarHBondContact O-CB 3.32Å; Q417-K421 PolarHBondContact O-N 2.9Å; Q418-K421 PolarHBondContact O-N 2.97Å; E419-K421 PolarHBondContact O-N 3.07Å; K421-Q424 WeakPolarHBondContact O-CB 3.44Å; K421-Q424 PolarHBondContact O-N 3.01Å; K421-E425 IonicContact NZ-OE1 2.69Å; K421-E425 PolarHBondContact NZ-OE1 3.31Å; K421-E425 IonicContact NZ-OE2 2.94Å; K421-E425 WeakPolarHBondContact O-CG 3.43Å; K421-E425 PolarHBondContact O-N 2.93Å |
| 422 | K | 98.8 | Very high | 98.7 | Very high | 122 Ų | 122 | 102.3 Ų | 102.3 | 53% | 0.53 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 176.1 | -165.9 | -160.5 | 169.4 | -162.1 | 0 | 111.7 | Q418 E419 K420 Q424 E425 D426 | Q418-K422 PolarHBondContact O-N 3.04Å; E419-K422 PolarHBondContact O-N 2.88Å; K420-K422 VanDerWaalsContact C-N 3.33Å; K420-K422 PolarHBondContact O-N 3.41Å; K422-Q424 PolarHBondContact O-N 3.38Å; K422-E425 WeakPolarHBondContact O-CB 3.22Å; K422-E425 PolarHBondContact O-N 2.95Å; K422-D426 VanDerWaalsContact CE-OD2 3.3Å; K422-D426 WeakPolarHBondContact CE-OD2 3.38Å; K422-D426 IonicContact NZ-OD2 3.56Å; K422-D426 PolarHBondContact O-N 3.19Å |
| 423 | L | 98.7 | Very high | 98.7 | Very high | 115 Ų | 115 | 101 Ų | 101 | 60% | 0.602 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.8 | -30.3 | 176.7 | -96.5 | 63.6 | 0 | 0 | 0 | 112.6 | E419 K420 F427 | E419-L423 WeakPolarHBondContact O-CD1 3.4Å; E419-L423 PolarHBondContact O-N 3.44Å; K420-L423 PolarHBondContact O-N 2.86Å; L423-F427 WeakPolarHBondContact O-CB 3.38Å; L423-F427 PolarHBondContact O-N 3.48Å |
| 424 | Q | 98.7 | Very high | 98.6 | Very high | 112 Ų | 112 | 103.3 Ų | 103.3 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.7 | -36.3 | 172.6 | -70 | 176.8 | -70.2 | 0 | 0 | 112.3 | K420 K421 K422 A428 | K420-Q424 VanDerWaalsContact O-CG 3.31Å; K420-Q424 WeakPolarHBondContact O-CG 3.22Å; K420-Q424 PolarHBondContact O-N 3.21Å; K421-Q424 WeakPolarHBondContact O-CB 3.44Å; K421-Q424 PolarHBondContact O-N 3.01Å; K422-Q424 PolarHBondContact O-N 3.38Å; Q424-A428 WeakPolarHBondContact O-CB 3.46Å; Q424-A428 PolarHBondContact O-N 3.4Å |
| 425 | E | 98.8 | Very high | 98.6 | Very high | 99 Ų | 99 | 102.1 Ų | 102.1 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.8 | -47.7 | 174.3 | -70.6 | 165.3 | 173.5 | 0 | 0 | 111.4 | K421 K422 F427 A428 Q429 | K421-E425 IonicContact NZ-OE1 2.69Å; K421-E425 PolarHBondContact NZ-OE1 3.31Å; K421-E425 IonicContact NZ-OE2 2.94Å; K421-E425 WeakPolarHBondContact O-CG 3.43Å; K421-E425 PolarHBondContact O-N 2.93Å; K422-E425 WeakPolarHBondContact O-CB 3.22Å; K422-E425 PolarHBondContact O-N 2.95Å; E425-F427 VanDerWaalsContact C-N 3.3Å; E425-F427 PolarHBondContact O-N 2.87Å; E425-A428 PolarHBondContact O-N 3.45Å; E425-Q429 PolarHBondContact O-N 2.91Å |
| 426 | D | 98.6 | Very high | 98.6 | Very high | 72 Ų | 72 | 102.3 Ų | 102.3 | 39% | 0.385 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.9 | -40.5 | 174.9 | -67 | -27.3 | 0 | 0 | 0 | 110.9 | K422 Q429 L430 | K422-D426 VanDerWaalsContact CE-OD2 3.3Å; K422-D426 WeakPolarHBondContact CE-OD2 3.38Å; K422-D426 IonicContact NZ-OD2 3.56Å; K422-D426 PolarHBondContact O-N 3.19Å; D426-Q429 PolarHBondContact O-N 3.32Å; D426-L430 WeakPolarHBondContact O-CG 3.48Å; D426-L430 PolarHBondContact O-N 2.69Å |
| 427 | F | 98.6 | Very high | 98.6 | Very high | 131 Ų | 131 | 101.9 Ų | 101.9 | 58% | 0.575 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -69.1 | -40.1 | 176.4 | -177.2 | -105.4 | 0 | 0 | 0 | 113.1 | L423 E425 Q429 L430 L431 | L423-F427 WeakPolarHBondContact O-CB 3.38Å; L423-F427 PolarHBondContact O-N 3.48Å; E425-F427 VanDerWaalsContact C-N 3.3Å; E425-F427 PolarHBondContact O-N 2.87Å; F427-Q429 VanDerWaalsContact C-N 3.32Å; F427-Q429 PolarHBondContact O-N 3.26Å; F427-L430 PolarHBondContact O-N 3.39Å; F427-L431 HydrophobicContact CD1-CD1 3.98Å; F427-L431 HydrophobicContact CD1-CG 4.41Å; F427-L431 HydrophobicContact CE1-CD1 3.57Å; F427-L431 HydrophobicContact CE1-CG 4.09Å; F427-L431 HydrophobicContact CZ-CD1 4.12Å; F427-L431 HydrophobicContact CZ-CD2 4.3Å; F427-L431 HydrophobicContact CZ-CG 4.23Å; F427-L431 WeakPolarHBondContact O-CG 3.44Å; F427-L431 PolarHBondContact O-N 3.03Å |
| 428 | A | 98.6 | Very high | 98.6 | Very high | 55 Ų | 55 | 100.8 Ų | 100.8 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65 | -36.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q424 E425 K432 | Q424-A428 WeakPolarHBondContact O-CB 3.46Å; Q424-A428 PolarHBondContact O-N 3.4Å; E425-A428 PolarHBondContact O-N 3.45Å; A428-K432 PolarHBondContact O-N 3.34Å |
| 429 | Q | 98.8 | Very high | 98.6 | Very high | 98 Ų | 98 | 102.8 Ų | 102.8 | 46% | 0.458 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 172.6 | 179.9 | 62.6 | 23.7 | 0 | 0 | 111.4 | E425 D426 F427 L431 K432 E433 | E425-Q429 PolarHBondContact O-N 2.91Å; D426-Q429 PolarHBondContact O-N 3.32Å; F427-Q429 VanDerWaalsContact C-N 3.32Å; F427-Q429 PolarHBondContact O-N 3.26Å; Q429-L431 PolarHBondContact O-N 3.36Å; Q429-K432 PolarHBondContact O-N 2.8Å; Q429-E433 WeakPolarHBondContact CG-OE1 3.4Å; Q429-E433 PolarHBondContact NE2-OE1 3Å; Q429-E433 WeakPolarHBondContact O-CG 3.06Å; Q429-E433 PolarHBondContact O-N 3.14Å |
| 430 | L | 98.6 | Very high | 98.6 | Very high | 110 Ų | 110 | 104.5 Ų | 104.5 | 58% | 0.576 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64 | -35.1 | 177.2 | -73.5 | 170 | 0 | 0 | 0 | 113.5 | D426 F427 E433 R434 | D426-L430 WeakPolarHBondContact O-CG 3.48Å; D426-L430 PolarHBondContact O-N 2.69Å; F427-L430 PolarHBondContact O-N 3.39Å; L430-E433 PolarHBondContact O-N 2.89Å; L430-R434 WeakPolarHBondContact O-CB 3.32Å; L430-R434 PolarHBondContact O-N 3.41Å |
| 431 | L | 98.7 | Very high | 98.5 | Very high | 70 Ų | 70 | 101.7 Ų | 101.7 | 37% | 0.366 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 172.5 | -76.9 | 175.6 | 0 | 0 | 0 | 111.6 | F427 Q429 E433 R434 E435 | F427-L431 HydrophobicContact CD1-CD1 3.98Å; F427-L431 HydrophobicContact CD1-CG 4.41Å; F427-L431 HydrophobicContact CE1-CD1 3.57Å; F427-L431 HydrophobicContact CE1-CG 4.09Å; F427-L431 HydrophobicContact CZ-CD1 4.12Å; F427-L431 HydrophobicContact CZ-CD2 4.3Å; F427-L431 HydrophobicContact CZ-CG 4.23Å; F427-L431 WeakPolarHBondContact O-CG 3.44Å; F427-L431 PolarHBondContact O-N 3.03Å; Q429-L431 PolarHBondContact O-N 3.36Å; L431-E433 VanDerWaalsContact C-N 3.33Å; L431-E433 PolarHBondContact O-N 2.95Å; L431-R434 WeakPolarHBondContact O-CB 3.44Å; L431-R434 PolarHBondContact O-N 3.49Å; L431-E435 WeakPolarHBondContact O-CG 3.37Å; L431-E435 PolarHBondContact O-N 3.16Å |
| 432 | K | 98.8 | Very high | 98.5 | Very high | 110 Ų | 110 | 99.1 Ų | 99.1 | 48% | 0.478 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63 | -38.9 | 176.8 | -176 | -179.4 | 177.9 | -176.8 | 0 | 112.4 | A428 Q429 E435 Q436 | A428-K432 PolarHBondContact O-N 3.34Å; Q429-K432 PolarHBondContact O-N 2.8Å; K432-E435 PolarHBondContact O-N 3.3Å; K432-Q436 WeakPolarHBondContact O-CB 3.42Å; K432-Q436 VanDerWaalsContact O-CG 3.31Å; K432-Q436 WeakPolarHBondContact O-CG 3.48Å; K432-Q436 PolarHBondContact O-N 2.94Å |
| 433 | E | 98.4 | Very high | 98.5 | Very high | 82 Ų | 82 | 96.1 Ų | 96.1 | 38% | 0.383 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.4 | -36.3 | 175 | -73.2 | 174.8 | -165.2 | 0 | 0 | 112.2 | Q429 L430 L431 L437 | Q429-E433 WeakPolarHBondContact CG-OE1 3.4Å; Q429-E433 PolarHBondContact NE2-OE1 3Å; Q429-E433 WeakPolarHBondContact O-CG 3.06Å; Q429-E433 PolarHBondContact O-N 3.14Å; L430-E433 PolarHBondContact O-N 2.89Å; L431-E433 VanDerWaalsContact C-N 3.33Å; L431-E433 PolarHBondContact O-N 2.95Å; E433-L437 WeakPolarHBondContact O-CB 3.46Å; E433-L437 WeakPolarHBondContact O-CG 3.45Å; E433-L437 PolarHBondContact O-N 2.83Å |
| 434 | R | 98.1 | Very high | 98.4 | Very high | 127 Ų | 127 | 97.5 Ų | 97.5 | 48% | 0.479 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 169.7 | 175.5 | -165 | 169 | -74 | -16.5 | 111 | L430 L431 Q436 L437 E438 | L430-R434 WeakPolarHBondContact O-CB 3.32Å; L430-R434 PolarHBondContact O-N 3.41Å; L431-R434 WeakPolarHBondContact O-CB 3.44Å; L431-R434 PolarHBondContact O-N 3.49Å; R434-Q436 VanDerWaalsContact C-N 3.33Å; R434-Q436 PolarHBondContact O-N 3.34Å; R434-L437 WeakPolarHBondContact O-CB 3.32Å; R434-L437 PolarHBondContact O-N 3.29Å; R434-L437 VanDerWaalsContact O-N 3.08Å; R434-E438 IonicContact CZ-OE1 3.4Å; R434-E438 IonicContact CZ-OE2 2.71Å; R434-E438 IonicContact NH1-OE2 2.65Å; R434-E438 PolarHBondContact NH1-OE2 2.94Å; R434-E438 IonicContact NH2-OE1 3.2Å; R434-E438 PolarHBondContact NH2-OE1 2.75Å; R434-E438 IonicContact NH2-OE2 3.98Å; R434-E438 PolarHBondContact NH2-OE2 3.31Å; R434-E438 WeakPolarHBondContact O-CB 3.35Å; R434-E438 PolarHBondContact O-N 2.84Å |
| 435 | E | 98.7 | Very high | 98.4 | Very high | 109 Ų | 109 | 97.7 Ų | 97.7 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 179.8 | -71.4 | 162.9 | -176.1 | 0 | 0 | 111.4 | L431 K432 L437 E438 E439 | L431-E435 WeakPolarHBondContact O-CG 3.37Å; L431-E435 PolarHBondContact O-N 3.16Å; K432-E435 PolarHBondContact O-N 3.3Å; E435-L437 VanDerWaalsContact C-N 3.3Å; E435-L437 PolarHBondContact O-N 2.62Å; E435-E438 PolarHBondContact O-N 2.91Å; E435-E439 WeakPolarHBondContact O-CB 3.25Å; E435-E439 PolarHBondContact O-N 3.49Å |
| 436 | Q | 98.7 | Very high | 98.4 | Very high | 92 Ų | 92 | 98.7 Ų | 98.7 | 43% | 0.43 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.4 | -19.9 | 175 | -70.2 | 179 | -10.5 | 0 | 0 | 114.5 | K432 R434 R440 | K432-Q436 WeakPolarHBondContact O-CB 3.42Å; K432-Q436 VanDerWaalsContact O-CG 3.31Å; K432-Q436 WeakPolarHBondContact O-CG 3.48Å; K432-Q436 PolarHBondContact O-N 2.94Å; R434-Q436 VanDerWaalsContact C-N 3.33Å; R434-Q436 PolarHBondContact O-N 3.34Å; Q436-R440 WeakPolarHBondContact O-CG 3.4Å; Q436-R440 PolarHBondContact O-NE 3.47Å |
| 437 | L | 98.1 | Very high | 98.3 | Very high | 90 Ų | 90 | 99.8 Ų | 99.8 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -79.3 | -43.3 | 168.7 | -83.5 | 160.3 | 0 | 0 | 0 | 110.7 | E433 R434 E435 R440 C441 | E433-L437 WeakPolarHBondContact O-CB 3.46Å; E433-L437 WeakPolarHBondContact O-CG 3.45Å; E433-L437 PolarHBondContact O-N 2.83Å; R434-L437 WeakPolarHBondContact O-CB 3.32Å; R434-L437 PolarHBondContact O-N 3.29Å; R434-L437 VanDerWaalsContact O-N 3.08Å; E435-L437 VanDerWaalsContact C-N 3.3Å; E435-L437 PolarHBondContact O-N 2.62Å; L437-R440 PolarHBondContact O-N 2.69Å; L437-C441 PolarHBondContact O-N 3.08Å; L437-C441 PolarHBondContact O-SG 3.29Å |
| 438 | E | 98.4 | Very high | 98.2 | Very high | 94 Ų | 94 | 101.1 Ų | 101.1 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 179.7 | -168.6 | 162.8 | -137.7 | 0 | 0 | 111.5 | R434 E435 R440 C441 T442 | R434-E438 IonicContact CZ-OE1 3.4Å; R434-E438 IonicContact CZ-OE2 2.71Å; R434-E438 IonicContact NH1-OE2 2.65Å; R434-E438 PolarHBondContact NH1-OE2 2.94Å; R434-E438 IonicContact NH2-OE1 3.2Å; R434-E438 PolarHBondContact NH2-OE1 2.75Å; R434-E438 IonicContact NH2-OE2 3.98Å; R434-E438 PolarHBondContact NH2-OE2 3.31Å; R434-E438 WeakPolarHBondContact O-CB 3.35Å; R434-E438 PolarHBondContact O-N 2.84Å; E435-E438 PolarHBondContact O-N 2.91Å; E438-R440 PolarHBondContact O-N 3.1Å; E438-C441 PolarHBondContact O-N 3.46Å; E438-T442 PolarHBondContact O-N 3.41Å |
| 439 | E | 98.7 | Very high | 98.2 | Very high | 136 Ų | 136 | 104.3 Ų | 104.3 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -55 | -49.3 | 172.3 | -175.9 | 178 | -152.3 | 0 | 0 | 111.5 | E435 C441 T442 S443 | E435-E439 WeakPolarHBondContact O-CB 3.25Å; E435-E439 PolarHBondContact O-N 3.49Å; E439-C441 PolarHBondContact O-N 2.97Å; E439-T442 PolarHBondContact O-N 2.99Å; E439-T442 PolarHBondContact O-OG1 3.01Å; E439-S443 PolarHBondContact O-N 3.16Å |
| 440 | R | 98.5 | Very high | 98.1 | Very high | 122 Ų | 122 | 105.3 Ų | 105.3 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.2 | -38.5 | 178 | -75.7 | -177.8 | -68 | 134.8 | -6.4 | 113.1 | Q436 L437 E438 S443 Y444 | Q436-R440 WeakPolarHBondContact O-CG 3.4Å; Q436-R440 PolarHBondContact O-NE 3.47Å; L437-R440 PolarHBondContact O-N 2.69Å; E438-R440 PolarHBondContact O-N 3.1Å; R440-S443 WeakPolarHBondContact O-CB 3.06Å; R440-S443 PolarHBondContact O-N 3.41Å; R440-Y444 HydrophobicContact CB-CE2 4.33Å; R440-Y444 WeakPolarHBondContact O-CD2 3.49Å; R440-Y444 PolarHBondContact O-N 2.98Å |
| 441 | C | 97.6 | Very high | 98.1 | Very high | 72 Ų | 72 | 105 Ų | 105 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59 | -48.4 | 173 | -72.2 | 0 | 0 | 0 | 0 | 110.9 | L437 E438 E439 S443 Y444 E445 | L437-C441 PolarHBondContact O-N 3.08Å; L437-C441 PolarHBondContact O-SG 3.29Å; E438-C441 PolarHBondContact O-N 3.46Å; E439-C441 PolarHBondContact O-N 2.97Å; C441-S443 VanDerWaalsContact C-N 3.31Å; C441-S443 PolarHBondContact O-N 2.96Å; C441-Y444 PolarHBondContact O-N 2.97Å; C441-E445 WeakPolarHBondContact O-CG 3.41Å; C441-E445 PolarHBondContact O-N 3.24Å |
| 442 | T | 98.3 | Very high | 98 | Very high | 63 Ų | 63 | 102.9 Ų | 102.9 | 39% | 0.387 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.7 | -36.4 | 176.3 | 64.9 | 0 | 0 | 0 | 0 | 112.3 | E438 E439 E445 H446 | E438-T442 PolarHBondContact O-N 3.41Å; E439-T442 PolarHBondContact O-N 2.99Å; E439-T442 PolarHBondContact O-OG1 3.01Å; T442-E445 PolarHBondContact O-N 2.93Å; T442-H446 PolarHBondContact O-N 2.9Å; T442-H446 PolarHBondContact O-ND1 2.93Å |
| 443 | S | 98.4 | Very high | 97.9 | Very high | 59 Ų | 59 | 101.4 Ų | 101.4 | 41% | 0.413 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 174.7 | -166.8 | 0 | 0 | 0 | 0 | 111.9 | E439 R440 C441 E445 H446 E447 | E439-S443 PolarHBondContact O-N 3.16Å; R440-S443 WeakPolarHBondContact O-CB 3.06Å; R440-S443 PolarHBondContact O-N 3.41Å; C441-S443 VanDerWaalsContact C-N 3.31Å; C441-S443 PolarHBondContact O-N 2.96Å; S443-E445 VanDerWaalsContact C-N 3.31Å; S443-E445 PolarHBondContact O-N 3.02Å; S443-H446 PolarHBondContact O-N 3.46Å; S443-E447 WeakPolarHBondContact O-CG 3.41Å; S443-E447 PolarHBondContact O-N 2.93Å |
| 444 | Y | 97.4 | Very high | 97.9 | Very high | 144 Ų | 144 | 105 Ų | 105 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.9 | -32.1 | 176.8 | -63.3 | -46.7 | 0 | 0 | 0 | 112.8 | R440 C441 K448 | R440-Y444 HydrophobicContact CB-CE2 4.33Å; R440-Y444 WeakPolarHBondContact O-CD2 3.49Å; R440-Y444 PolarHBondContact O-N 2.98Å; C441-Y444 PolarHBondContact O-N 2.97Å; Y444-K448 VanDerWaalsContact O-CB 3.26Å; Y444-K448 WeakPolarHBondContact O-CB 3.24Å; Y444-K448 PolarHBondContact O-N 3.39Å |
| 445 | E | 98.1 | Very high | 97.9 | Very high | 117 Ų | 117 | 103.7 Ų | 103.7 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 171.7 | -71.2 | -178.1 | 154.3 | 0 | 0 | 111.9 | C441 T442 S443 K448 I449 | C441-E445 WeakPolarHBondContact O-CG 3.41Å; C441-E445 PolarHBondContact O-N 3.24Å; T442-E445 PolarHBondContact O-N 2.93Å; S443-E445 VanDerWaalsContact C-N 3.31Å; S443-E445 PolarHBondContact O-N 3.02Å; E445-K448 PolarHBondContact O-N 2.91Å; E445-I449 WeakPolarHBondContact O-CB 3.43Å; E445-I449 WeakPolarHBondContact O-CD1 3.33Å; E445-I449 VanDerWaalsContact O-CG1 3.22Å; E445-I449 WeakPolarHBondContact O-CG1 3.41Å; E445-I449 PolarHBondContact O-N 2.73Å |
| 446 | H | 98.3 | Very high | 97.9 | Very high | 119 Ų | 119 | 104 Ų | 104 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.6 | -39.1 | 173.9 | -75.3 | 83 | 0 | 0 | 0 | 112.4 | T442 S443 Q450 | T442-H446 PolarHBondContact O-N 2.9Å; T442-H446 PolarHBondContact O-ND1 2.93Å; S443-H446 PolarHBondContact O-N 3.46Å; H446-Q450 WeakPolarHBondContact O-CB 3.48Å; H446-Q450 VanDerWaalsContact O-CG 3.3Å; H446-Q450 WeakPolarHBondContact O-CG 3.3Å; H446-Q450 PolarHBondContact O-N 3.07Å; H446-Q450 PolarHBondContact O-NE2 3.11Å |
| 447 | E | 97.7 | Very high | 97.8 | Very high | 95 Ų | 95 | 105.5 Ų | 105.5 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -47.4 | 173.5 | -74.3 | 179.6 | 172.2 | 0 | 0 | 111.3 | S443 I449 Q450 L451 | S443-E447 WeakPolarHBondContact O-CG 3.41Å; S443-E447 PolarHBondContact O-N 2.93Å; E447-I449 VanDerWaalsContact C-N 3.32Å; E447-I449 PolarHBondContact O-N 3.14Å; E447-Q450 PolarHBondContact O-N 3.34Å; E447-Q450 VanDerWaalsContact O-N 3.16Å; E447-L451 WeakPolarHBondContact O-CB 3.4Å; E447-L451 VanDerWaalsContact O-CG 3.31Å; E447-L451 WeakPolarHBondContact O-CG 3.36Å; E447-L451 PolarHBondContact O-N 3.48Å |
| 448 | K | 95.9 | Very high | 97.8 | Very high | 160 Ų | 160 | 104.3 Ų | 104.3 | 70% | 0.696 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -56.8 | -44.1 | 176 | 176.8 | -173.1 | 172.6 | -169.5 | 0 | 112 | Y444 E445 G452 | Y444-K448 VanDerWaalsContact O-CB 3.26Å; Y444-K448 WeakPolarHBondContact O-CB 3.24Å; Y444-K448 PolarHBondContact O-N 3.39Å; E445-K448 PolarHBondContact O-N 2.91Å; K448-G452 PolarHBondContact O-N 3.34Å; K448-G452 VanDerWaalsContact O-N 3.08Å |
| 449 | I | 97.9 | Very high | 97.8 | Very high | 122 Ų | 122 | 105.3 Ų | 105.3 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.2 | -37 | 178 | -70.2 | 164.4 | 0 | 0 | 0 | 111.4 | E445 E447 P453 | E445-I449 WeakPolarHBondContact O-CB 3.43Å; E445-I449 WeakPolarHBondContact O-CD1 3.33Å; E445-I449 VanDerWaalsContact O-CG1 3.22Å; E445-I449 WeakPolarHBondContact O-CG1 3.41Å; E445-I449 PolarHBondContact O-N 2.73Å; E447-I449 VanDerWaalsContact C-N 3.32Å; E447-I449 PolarHBondContact O-N 3.14Å; I449-P453 WeakPolarHBondContact O-CD 3.5Å |
| 450 | Q | 97.8 | Very high | 97.8 | Very high | 119 Ų | 119 | 108.3 Ų | 108.3 | 56% | 0.556 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -75 | -34.6 | 177.2 | -74.8 | 171.9 | 78 | 0 | 0 | 113.7 | H446 E447 | H446-Q450 WeakPolarHBondContact O-CB 3.48Å; H446-Q450 VanDerWaalsContact O-CG 3.3Å; H446-Q450 WeakPolarHBondContact O-CG 3.3Å; H446-Q450 PolarHBondContact O-N 3.07Å; H446-Q450 PolarHBondContact O-NE2 3.11Å; E447-Q450 PolarHBondContact O-N 3.34Å; E447-Q450 VanDerWaalsContact O-N 3.16Å |
| 451 | L | 97.3 | Very high | 97.8 | Very high | 103 Ų | 103 | 107.7 Ų | 107.7 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -81.8 | -28.3 | -177.3 | -68.9 | 174 | 0 | 0 | 0 | 113.1 | E447 R454 L455 | E447-L451 WeakPolarHBondContact O-CB 3.4Å; E447-L451 VanDerWaalsContact O-CG 3.31Å; E447-L451 WeakPolarHBondContact O-CG 3.36Å; E447-L451 PolarHBondContact O-N 3.48Å; L451-R454 PolarHBondContact O-N 2.97Å; L451-L455 WeakPolarHBondContact O-CB 3.43Å; L451-L455 PolarHBondContact O-N 2.96Å |
| 452 | G | 97.9 | Very high | 97.9 | Very high | 26 Ų | 26 | 109.1 Ų | 109.1 | 27% | 0.268 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -52.7 | -60.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K448 R454 L455 E456 | K448-G452 PolarHBondContact O-N 3.34Å; K448-G452 VanDerWaalsContact O-N 3.08Å; G452-R454 VanDerWaalsContact C-N 3.31Å; G452-R454 PolarHBondContact O-N 2.89Å; G452-L455 WeakPolarHBondContact O-CB 3.45Å; G452-L455 PolarHBondContact O-N 3.24Å; G452-L455 VanDerWaalsContact O-N 3.09Å; G452-E456 PolarHBondContact O-N 3.1Å |
| 453 | P | 96.3 | Very high | 97.9 | Very high | 79 Ų | 79 | 110 Ų | 110 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.9 | -36.2 | 179.8 | -26.5 | 36 | 0 | 0 | 0 | 113.8 | I449 E456 E457 | I449-P453 WeakPolarHBondContact O-CD 3.5Å; P453-E456 PolarHBondContact O-N 2.76Å; P453-E457 WeakPolarHBondContact O-CB 3.39Å; P453-E457 PolarHBondContact O-N 3.41Å |
| 454 | R | 97.8 | Very high | 97.9 | Very high | 158 Ų | 158 | 112.6 Ų | 112.6 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.8 | -35.8 | 175.7 | -71.2 | 179.1 | 171.1 | 172.1 | 0.1 | 112.6 | L451 G452 E456 T458 | L451-R454 PolarHBondContact O-N 2.97Å; G452-R454 VanDerWaalsContact C-N 3.31Å; G452-R454 PolarHBondContact O-N 2.89Å; R454-E456 VanDerWaalsContact C-N 3.32Å; R454-T458 WeakPolarHBondContact O-CG2 3.18Å; R454-T458 PolarHBondContact O-N 3.27Å; R454-T458 PolarHBondContact O-OG1 2.91Å |
| 455 | L | 98.2 | Very high | 98 | Very high | 98 Ų | 98 | 110.5 Ų | 110.5 | 51% | 0.513 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -71.9 | -28.3 | 173.9 | -179.1 | 60.6 | 0 | 0 | 0 | 111.8 | L451 G452 T458 K459 | L451-L455 WeakPolarHBondContact O-CB 3.43Å; L451-L455 PolarHBondContact O-N 2.96Å; G452-L455 WeakPolarHBondContact O-CB 3.45Å; G452-L455 PolarHBondContact O-N 3.24Å; G452-L455 VanDerWaalsContact O-N 3.09Å; L455-T458 WeakPolarHBondContact CA-OG1 3.34Å; L455-T458 PolarHBondContact O-OG1 3.48Å; L455-K459 WeakPolarHBondContact O-CB 3.31Å; L455-K459 VanDerWaalsContact O-CD 3.25Å; L455-K459 WeakPolarHBondContact O-CD 3.47Å; L455-K459 WeakPolarHBondContact O-CG 3.29Å; L455-K459 PolarHBondContact O-N 3.46Å |
| 456 | E | 98.1 | Very high | 98 | Very high | 117 Ų | 117 | 108.2 Ų | 108.2 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -75.3 | -45.8 | 172.9 | -70.5 | 173.9 | -178.9 | 0 | 0 | 111.6 | G452 P453 R454 K459 W460 | G452-E456 PolarHBondContact O-N 3.1Å; P453-E456 PolarHBondContact O-N 2.76Å; R454-E456 VanDerWaalsContact C-N 3.32Å; E456-K459 WeakPolarHBondContact O-CB 3.5Å; E456-K459 PolarHBondContact O-N 2.67Å; E456-W460 PolarHBondContact O-N 2.99Å |
| 457 | E | 97.5 | Very high | 98 | Very high | 122 Ų | 122 | 104.4 Ų | 104.4 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -54.2 | -53.8 | 174 | -177.8 | 171.7 | -136.9 | 0 | 0 | 111.6 | P453 K459 W460 E461 | P453-E457 WeakPolarHBondContact O-CB 3.39Å; P453-E457 PolarHBondContact O-N 3.41Å; E457-K459 VanDerWaalsContact C-N 3.31Å; E457-K459 PolarHBondContact O-N 2.73Å; E457-W460 WeakPolarHBondContact O-CB 3.5Å; E457-W460 PolarHBondContact O-N 2.96Å; E457-E461 PolarHBondContact O-N 3.32Å |
| 458 | T | 98.3 | Very high | 98 | Very high | 65 Ų | 65 | 103.3 Ų | 103.3 | 40% | 0.399 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -29.9 | 177.7 | 49 | 0 | 0 | 0 | 0 | 113.6 | R454 L455 V462 | R454-T458 WeakPolarHBondContact O-CG2 3.18Å; R454-T458 PolarHBondContact O-N 3.27Å; R454-T458 PolarHBondContact O-OG1 2.91Å; L455-T458 WeakPolarHBondContact CA-OG1 3.34Å; L455-T458 PolarHBondContact O-OG1 3.48Å; T458-V462 VanDerWaalsContact O-CG2 3.3Å; T458-V462 WeakPolarHBondContact O-CG2 3.37Å; T458-V462 PolarHBondContact O-N 3.43Å |
| 459 | K | 98.7 | Very high | 98.1 | Very high | 116 Ų | 116 | 99.9 Ų | 99.9 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 169.7 | -78.1 | 166.9 | -174.1 | 169.1 | 0 | 111.8 | L455 E456 E457 V462 C463 | L455-K459 WeakPolarHBondContact O-CB 3.31Å; L455-K459 VanDerWaalsContact O-CD 3.25Å; L455-K459 WeakPolarHBondContact O-CD 3.47Å; L455-K459 WeakPolarHBondContact O-CG 3.29Å; L455-K459 PolarHBondContact O-N 3.46Å; E456-K459 WeakPolarHBondContact O-CB 3.5Å; E456-K459 PolarHBondContact O-N 2.67Å; E457-K459 VanDerWaalsContact C-N 3.31Å; E457-K459 PolarHBondContact O-N 2.73Å; K459-V462 PolarHBondContact O-N 3.4Å; K459-C463 WeakPolarHBondContact O-CB 3.41Å; K459-C463 PolarHBondContact O-N 3.37Å; K459-C463 PolarHBondContact O-SG 2.94Å; K459-C463 VanDerWaalsContact O-SG 3.36Å |
| 460 | W | 98.6 | Very high | 98.2 | Very high | 198 Ų | 198 | 97.1 Ų | 97.1 | 75% | 0.75 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63 | -42.8 | 175.7 | -76.4 | 114.6 | 0 | 0 | 0 | 111.7 | E456 E457 C463 Q464 | E456-W460 PolarHBondContact O-N 2.99Å; E457-W460 WeakPolarHBondContact O-CB 3.5Å; E457-W460 PolarHBondContact O-N 2.96Å; W460-C463 PolarHBondContact O-N 2.9Å; W460-Q464 WeakPolarHBondContact O-CB 3.33Å; W460-Q464 PolarHBondContact O-N 2.67Å |
| 461 | E | 98.7 | Very high | 98.2 | Very high | 110 Ų | 110 | 96.4 Ų | 96.4 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.3 | -48.4 | 173.2 | -69 | -172.9 | 135.7 | 0 | 0 | 112 | E457 C463 Q464 K465 | E457-E461 PolarHBondContact O-N 3.32Å; E461-C463 PolarHBondContact O-N 2.96Å; E461-Q464 PolarHBondContact O-N 2.92Å; E461-K465 WeakPolarHBondContact O-CB 3.41Å; E461-K465 VanDerWaalsContact O-CG 3.31Å; E461-K465 WeakPolarHBondContact O-CG 3.48Å; E461-K465 PolarHBondContact O-N 3.2Å |
| 462 | V | 98.7 | Very high | 98.3 | Very high | 102 Ų | 102 | 96.5 Ų | 96.5 | 62% | 0.618 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.3 | -42.9 | 178.1 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | T458 K459 K465 S466 | T458-V462 VanDerWaalsContact O-CG2 3.3Å; T458-V462 WeakPolarHBondContact O-CG2 3.37Å; T458-V462 PolarHBondContact O-N 3.43Å; K459-V462 PolarHBondContact O-N 3.4Å; V462-K465 PolarHBondContact O-N 3.48Å; V462-S466 WeakPolarHBondContact O-CB 3.35Å; V462-S466 PolarHBondContact O-N 2.96Å |
| 463 | C | 98.5 | Very high | 98.3 | Very high | 82 Ų | 82 | 102 Ų | 102 | 55% | 0.554 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -46.3 | 174.8 | -74.7 | 0 | 0 | 0 | 0 | 112 | K459 W460 E461 S466 G467 | K459-C463 WeakPolarHBondContact O-CB 3.41Å; K459-C463 PolarHBondContact O-N 3.37Å; K459-C463 PolarHBondContact O-SG 2.94Å; K459-C463 VanDerWaalsContact O-SG 3.36Å; W460-C463 PolarHBondContact O-N 2.9Å; E461-C463 PolarHBondContact O-N 2.96Å; C463-S466 PolarHBondContact O-N 3.44Å; C463-G467 PolarHBondContact O-N 2.92Å |
| 464 | Q | 98.6 | Very high | 98.4 | Very high | 113 Ų | 113 | 102.2 Ų | 102.2 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 176.2 | -178.2 | -172.5 | -33.1 | 0 | 0 | 111.2 | W460 E461 S466 G467 E468 | W460-Q464 WeakPolarHBondContact O-CB 3.33Å; W460-Q464 PolarHBondContact O-N 2.67Å; E461-Q464 PolarHBondContact O-N 2.92Å; Q464-S466 VanDerWaalsContact C-N 3.34Å; Q464-S466 PolarHBondContact O-N 3.13Å; Q464-G467 WeakPolarHBondContact O-CA 3.46Å; Q464-G467 PolarHBondContact O-N 3.2Å; Q464-G467 VanDerWaalsContact O-N 3.08Å; Q464-E468 WeakPolarHBondContact CG-OE1 3.3Å; Q464-E468 PolarHBondContact NE2-OE1 3.4Å; Q464-E468 PolarHBondContact O-N 3.06Å |
| 465 | K | 98.4 | Very high | 98.5 | Very high | 99 Ų | 99 | 99 Ų | 99 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.9 | -33.3 | -179 | -64.6 | -59.3 | 170.1 | -152.1 | 0 | 112.8 | E461 V462 G467 E468 I469 | E461-K465 WeakPolarHBondContact O-CB 3.41Å; E461-K465 VanDerWaalsContact O-CG 3.31Å; E461-K465 WeakPolarHBondContact O-CG 3.48Å; E461-K465 PolarHBondContact O-N 3.2Å; V462-K465 PolarHBondContact O-N 3.48Å; K465-G467 VanDerWaalsContact C-N 3.32Å; K465-E468 VanDerWaalsContact CD-OE2 3.29Å; K465-E468 WeakPolarHBondContact CD-OE2 3.29Å; K465-E468 IonicContact NZ-OE1 2.77Å; K465-E468 PolarHBondContact NZ-OE1 2.9Å; K465-E468 IonicContact NZ-OE2 3.15Å; K465-E468 PolarHBondContact NZ-OE2 3.44Å; K465-E468 PolarHBondContact O-N 3.34Å; K465-I469 WeakPolarHBondContact O-CB 3.46Å; K465-I469 WeakPolarHBondContact O-CD1 3.25Å; K465-I469 WeakPolarHBondContact O-CG1 3.49Å; K465-I469 PolarHBondContact O-N 3.41Å |
| 466 | S | 98.1 | Very high | 98.5 | Very high | 69 Ų | 69 | 99 Ų | 99 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 170 | -167.4 | 0 | 0 | 0 | 0 | 112 | V462 C463 Q464 S470 | V462-S466 WeakPolarHBondContact O-CB 3.35Å; V462-S466 PolarHBondContact O-N 2.96Å; C463-S466 PolarHBondContact O-N 3.44Å; Q464-S466 VanDerWaalsContact C-N 3.34Å; Q464-S466 PolarHBondContact O-N 3.13Å; S466-S470 WeakPolarHBondContact O-CB 3.49Å; S466-S470 PolarHBondContact O-N 3.41Å; S466-S470 PolarHBondContact O-OG 2.9Å |
| 467 | G | 98.5 | Very high | 98.5 | Very high | 40 Ų | 40 | 99.8 Ų | 99.8 | 41% | 0.412 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -49.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | C463 Q464 K465 I469 S470 L471 | C463-G467 PolarHBondContact O-N 2.92Å; Q464-G467 WeakPolarHBondContact O-CA 3.46Å; Q464-G467 PolarHBondContact O-N 3.2Å; Q464-G467 VanDerWaalsContact O-N 3.08Å; K465-G467 VanDerWaalsContact C-N 3.32Å; G467-I469 PolarHBondContact O-N 3.12Å; G467-S470 WeakPolarHBondContact O-CB 3.14Å; G467-S470 PolarHBondContact O-N 3.45Å; G467-S470 VanDerWaalsContact O-N 3.12Å; G467-L471 PolarHBondContact O-N 2.72Å |
| 468 | E | 98.5 | Very high | 98.6 | Very high | 72 Ų | 72 | 98 Ų | 98 | 34% | 0.336 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56.9 | -47.2 | 175.6 | -71.6 | 173.6 | -150.6 | 0 | 0 | 111.7 | Q464 K465 S470 L471 L472 | Q464-E468 WeakPolarHBondContact CG-OE1 3.3Å; Q464-E468 PolarHBondContact NE2-OE1 3.4Å; Q464-E468 PolarHBondContact O-N 3.06Å; K465-E468 VanDerWaalsContact CD-OE2 3.29Å; K465-E468 WeakPolarHBondContact CD-OE2 3.29Å; K465-E468 IonicContact NZ-OE1 2.77Å; K465-E468 PolarHBondContact NZ-OE1 2.9Å; K465-E468 IonicContact NZ-OE2 3.15Å; K465-E468 PolarHBondContact NZ-OE2 3.44Å; K465-E468 PolarHBondContact O-N 3.34Å; E468-S470 VanDerWaalsContact C-N 3.28Å; E468-S470 PolarHBondContact O-N 3.44Å; E468-L471 PolarHBondContact O-N 2.72Å; E468-L472 WeakPolarHBondContact O-CB 3.44Å; E468-L472 VanDerWaalsContact O-CG 3.31Å; E468-L472 WeakPolarHBondContact O-CG 3.44Å; E468-L472 PolarHBondContact O-N 3.08Å |
| 469 | I | 98.5 | Very high | 98.6 | Very high | 87 Ų | 87 | 99.2 Ų | 99.2 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -37.5 | 176.4 | -71.8 | 165 | 0 | 0 | 0 | 111.4 | K465 G467 K473 | K465-I469 WeakPolarHBondContact O-CB 3.46Å; K465-I469 WeakPolarHBondContact O-CD1 3.25Å; K465-I469 WeakPolarHBondContact O-CG1 3.49Å; K465-I469 PolarHBondContact O-N 3.41Å; G467-I469 PolarHBondContact O-N 3.12Å; I469-K473 HydrophobicContact CG2-CD 4.03Å; I469-K473 WeakPolarHBondContact O-CB 3.44Å; I469-K473 VanDerWaalsContact O-CG 3.24Å; I469-K473 WeakPolarHBondContact O-CG 3.42Å; I469-K473 PolarHBondContact O-N 3.01Å |
| 470 | S | 98.6 | Very high | 98.6 | Very high | 65 Ų | 65 | 99.1 Ų | 99.1 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.2 | -40.1 | 179.3 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | S466 G467 E468 K473 Q474 | S466-S470 WeakPolarHBondContact O-CB 3.49Å; S466-S470 PolarHBondContact O-N 3.41Å; S466-S470 PolarHBondContact O-OG 2.9Å; G467-S470 WeakPolarHBondContact O-CB 3.14Å; G467-S470 PolarHBondContact O-N 3.45Å; G467-S470 VanDerWaalsContact O-N 3.12Å; E468-S470 VanDerWaalsContact C-N 3.28Å; E468-S470 PolarHBondContact O-N 3.44Å; S470-K473 PolarHBondContact O-N 2.85Å; S470-Q474 PolarHBondContact O-N 2.75Å; S470-Q474 VanDerWaalsContact O-N 3.07Å |
| 471 | L | 98.6 | Very high | 98.6 | Very high | 104 Ų | 104 | 93 Ų | 93 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -47.2 | 172.8 | 179.2 | 60.9 | 0 | 0 | 0 | 111.6 | G467 E468 K473 Q474 Q475 | G467-L471 PolarHBondContact O-N 2.72Å; E468-L471 PolarHBondContact O-N 2.72Å; L471-K473 VanDerWaalsContact C-N 3.32Å; L471-K473 PolarHBondContact O-N 2.77Å; L471-Q474 PolarHBondContact O-N 2.83Å; L471-Q474 VanDerWaalsContact O-N 3.14Å; L471-Q475 HydrophobicContact CD1-CG 4.44Å; L471-Q475 WeakPolarHBondContact O-CG 3.45Å; L471-Q475 PolarHBondContact O-N 3.34Å |
| 472 | L | 98.8 | Very high | 98.6 | Very high | 105 Ų | 105 | 93.2 Ų | 93.2 | 55% | 0.55 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 177.7 | -70.4 | 168.9 | 0 | 0 | 0 | 112.4 | E468 L476 | E468-L472 WeakPolarHBondContact O-CB 3.44Å; E468-L472 VanDerWaalsContact O-CG 3.31Å; E468-L472 WeakPolarHBondContact O-CG 3.44Å; E468-L472 PolarHBondContact O-N 3.08Å; L472-L476 WeakPolarHBondContact O-CB 3.47Å; L472-L476 PolarHBondContact O-N 3.32Å |
| 473 | K | 98.7 | Very high | 98.6 | Very high | 141 Ų | 141 | 93.7 Ų | 93.7 | 61% | 0.613 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.8 | -40.1 | 172.8 | -78.5 | 169.3 | 179.4 | 174.1 | 0 | 112.4 | I469 S470 L471 K477 | I469-K473 HydrophobicContact CG2-CD 4.03Å; I469-K473 WeakPolarHBondContact O-CB 3.44Å; I469-K473 VanDerWaalsContact O-CG 3.24Å; I469-K473 WeakPolarHBondContact O-CG 3.42Å; I469-K473 PolarHBondContact O-N 3.01Å; S470-K473 PolarHBondContact O-N 2.85Å; L471-K473 VanDerWaalsContact C-N 3.32Å; L471-K473 PolarHBondContact O-N 2.77Å; K473-K477 WeakPolarHBondContact O-CB 3.49Å; K473-K477 PolarHBondContact O-N 3.44Å; K473-K477 VanDerWaalsContact O-N 3.08Å |
| 474 | Q | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 92.9 Ų | 92.9 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.6 | -45.7 | 177.5 | 177.9 | 57.4 | 24 | 0 | 0 | 111.3 | S470 L471 L476 K477 E478 | S470-Q474 PolarHBondContact O-N 2.75Å; S470-Q474 VanDerWaalsContact O-N 3.07Å; L471-Q474 PolarHBondContact O-N 2.83Å; L471-Q474 VanDerWaalsContact O-N 3.14Å; Q474-L476 VanDerWaalsContact C-N 3.32Å; Q474-L476 PolarHBondContact O-N 3.2Å; Q474-K477 WeakPolarHBondContact O-CB 3.45Å; Q474-K477 PolarHBondContact O-N 2.89Å; Q474-K477 VanDerWaalsContact O-N 3.1Å; Q474-E478 WeakPolarHBondContact CG-OE1 3.23Å; Q474-E478 PolarHBondContact NE2-OE1 2.94Å; Q474-E478 WeakPolarHBondContact O-CG 3.31Å; Q474-E478 PolarHBondContact O-N 2.92Å |
| 475 | Q | 98.8 | Very high | 98.6 | Very high | 90 Ų | 90 | 92.9 Ų | 92.9 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 174.6 | -71.2 | 175.1 | -19.5 | 0 | 0 | 112.3 | L471 K477 E478 V479 | L471-Q475 HydrophobicContact CD1-CG 4.44Å; L471-Q475 WeakPolarHBondContact O-CG 3.45Å; L471-Q475 PolarHBondContact O-N 3.34Å; Q475-K477 VanDerWaalsContact C-N 3.33Å; Q475-K477 PolarHBondContact O-N 2.66Å; Q475-E478 PolarHBondContact O-N 3.08Å; Q475-V479 WeakPolarHBondContact O-CG2 3.46Å; Q475-V479 PolarHBondContact O-N 2.86Å |
| 476 | L | 98.8 | Very high | 98.6 | Very high | 100 Ų | 100 | 94.5 Ų | 94.5 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 174.7 | 178.7 | 61.2 | 0 | 0 | 0 | 112.1 | L472 Q474 Q480 | L472-L476 WeakPolarHBondContact O-CB 3.47Å; L472-L476 PolarHBondContact O-N 3.32Å; Q474-L476 VanDerWaalsContact C-N 3.32Å; Q474-L476 PolarHBondContact O-N 3.2Å; L476-Q480 WeakPolarHBondContact O-CB 3.5Å; L476-Q480 VanDerWaalsContact O-CG 3.25Å; L476-Q480 WeakPolarHBondContact O-CG 3.42Å; L476-Q480 PolarHBondContact O-N 3.01Å |
| 477 | K | 98.8 | Very high | 98.6 | Very high | 133 Ų | 133 | 95 Ų | 95 | 58% | 0.578 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.1 | -39.5 | 176.7 | -177.8 | -174.3 | 174.1 | -170.3 | 0 | 112 | K473 Q474 Q475 Q480 S481 | K473-K477 WeakPolarHBondContact O-CB 3.49Å; K473-K477 PolarHBondContact O-N 3.44Å; K473-K477 VanDerWaalsContact O-N 3.08Å; Q474-K477 WeakPolarHBondContact O-CB 3.45Å; Q474-K477 PolarHBondContact O-N 2.89Å; Q474-K477 VanDerWaalsContact O-N 3.1Å; Q475-K477 VanDerWaalsContact C-N 3.33Å; Q475-K477 PolarHBondContact O-N 2.66Å; K477-Q480 PolarHBondContact O-N 2.92Å; K477-S481 PolarHBondContact O-N 2.95Å |
| 478 | E | 98.7 | Very high | 98.6 | Very high | 85 Ų | 85 | 95.1 Ų | 95.1 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -53.3 | 174.7 | -73.6 | 161.7 | 178.5 | 0 | 0 | 110.5 | Q474 Q475 Q480 S481 E482 | Q474-E478 WeakPolarHBondContact CG-OE1 3.23Å; Q474-E478 PolarHBondContact NE2-OE1 2.94Å; Q474-E478 WeakPolarHBondContact O-CG 3.31Å; Q474-E478 PolarHBondContact O-N 2.92Å; Q475-E478 PolarHBondContact O-N 3.08Å; E478-Q480 VanDerWaalsContact C-N 3.29Å; E478-Q480 PolarHBondContact O-N 3.36Å; E478-S481 WeakPolarHBondContact O-CA 3.43Å; E478-S481 PolarHBondContact O-N 3.45Å; E478-S481 PolarHBondContact O-OG 3.37Å; E478-E482 PolarHBondContact O-N 3.06Å |
| 479 | V | 98.6 | Very high | 98.7 | Very high | 89 Ų | 89 | 94.9 Ų | 94.9 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -35.7 | 176.8 | 173.5 | 0 | 0 | 0 | 0 | 112.4 | Q475 L483 | Q475-V479 WeakPolarHBondContact O-CG2 3.46Å; Q475-V479 PolarHBondContact O-N 2.86Å; V479-L483 VanDerWaalsContact O-CB 3.32Å; V479-L483 WeakPolarHBondContact O-CB 3.33Å; V479-L483 PolarHBondContact O-N 3.03Å |
| 480 | Q | 98.7 | Very high | 98.7 | Very high | 114 Ų | 114 | 94.7 Ų | 94.7 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -38.8 | 172.1 | -77.3 | 175.5 | 10.6 | 0 | 0 | 112.6 | L476 K477 E478 L483 A484 | L476-Q480 WeakPolarHBondContact O-CB 3.5Å; L476-Q480 VanDerWaalsContact O-CG 3.25Å; L476-Q480 WeakPolarHBondContact O-CG 3.42Å; L476-Q480 PolarHBondContact O-N 3.01Å; K477-Q480 PolarHBondContact O-N 2.92Å; E478-Q480 VanDerWaalsContact C-N 3.29Å; E478-Q480 PolarHBondContact O-N 3.36Å; Q480-L483 PolarHBondContact O-N 3.27Å; Q480-A484 WeakPolarHBondContact O-CB 3.45Å; Q480-A484 PolarHBondContact O-N 2.94Å |
| 481 | S | 98.6 | Very high | 98.7 | Very high | 71 Ų | 71 | 95.9 Ų | 95.9 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.1 | -39.3 | 176.8 | 72.8 | 0 | 0 | 0 | 0 | 112.5 | K477 E478 A484 Q485 | K477-S481 PolarHBondContact O-N 2.95Å; E478-S481 WeakPolarHBondContact O-CA 3.43Å; E478-S481 PolarHBondContact O-N 3.45Å; E478-S481 PolarHBondContact O-OG 3.37Å; S481-A484 PolarHBondContact O-N 3.34Å; S481-Q485 PolarHBondContact O-N 3.19Å |
| 482 | E | 98.7 | Very high | 98.7 | Very high | 114 Ų | 114 | 94 Ų | 94 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 171.7 | -70.8 | -173.9 | -167.2 | 0 | 0 | 111.3 | E478 A484 Q485 R486 | E478-E482 PolarHBondContact O-N 3.06Å; E482-A484 VanDerWaalsContact C-N 3.32Å; E482-A484 PolarHBondContact O-N 3.05Å; E482-Q485 WeakPolarHBondContact O-CB 3.4Å; E482-Q485 PolarHBondContact O-N 3.32Å; E482-Q485 VanDerWaalsContact O-N 3.16Å; E482-R486 WeakPolarHBondContact O-CG 3.45Å; E482-R486 PolarHBondContact O-N 2.88Å |
| 483 | L | 98.7 | Very high | 98.7 | Very high | 112 Ų | 112 | 94 Ų | 94 | 59% | 0.586 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.2 | -43.1 | 176.4 | 178.3 | 61 | 0 | 0 | 0 | 111.5 | V479 Q480 R486 V487 | V479-L483 VanDerWaalsContact O-CB 3.32Å; V479-L483 WeakPolarHBondContact O-CB 3.33Å; V479-L483 PolarHBondContact O-N 3.03Å; Q480-L483 PolarHBondContact O-N 3.27Å; L483-R486 PolarHBondContact O-N 2.92Å; L483-V487 HydrophobicContact CD1-CG2 4.44Å; L483-V487 WeakPolarHBondContact O-CG2 3.31Å; L483-V487 PolarHBondContact O-N 3.23Å |
| 484 | A | 98.6 | Very high | 98.7 | Very high | 65 Ų | 65 | 95.1 Ų | 95.1 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | Q480 S481 E482 V487 G488 | Q480-A484 WeakPolarHBondContact O-CB 3.45Å; Q480-A484 PolarHBondContact O-N 2.94Å; S481-A484 PolarHBondContact O-N 3.34Å; E482-A484 VanDerWaalsContact C-N 3.32Å; E482-A484 PolarHBondContact O-N 3.05Å; A484-V487 PolarHBondContact O-N 3.46Å; A484-G488 PolarHBondContact O-N 3.07Å |
| 485 | Q | 98.7 | Very high | 98.6 | Very high | 113 Ų | 113 | 92.5 Ų | 92.5 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.5 | -49 | 173.4 | -177.3 | -174.6 | -37 | 0 | 0 | 111.5 | S481 E482 V487 G488 E489 | S481-Q485 PolarHBondContact O-N 3.19Å; E482-Q485 WeakPolarHBondContact O-CB 3.4Å; E482-Q485 PolarHBondContact O-N 3.32Å; E482-Q485 VanDerWaalsContact O-N 3.16Å; Q485-V487 VanDerWaalsContact C-N 3.3Å; Q485-V487 PolarHBondContact O-N 3.28Å; Q485-G488 CarbonylContact O-C 3.58Å; Q485-G488 WeakPolarHBondContact O-CA 3.27Å; Q485-G488 PolarHBondContact O-N 3.26Å; Q485-E489 HydrophobicContact CG-CG 4.5Å; Q485-E489 PolarHBondContact NE2-OE1 2.89Å; Q485-E489 WeakPolarHBondContact O-CG 3.48Å; Q485-E489 PolarHBondContact O-N 3.49Å |
| 486 | R | 98.5 | Very high | 98.6 | Very high | 133 Ų | 133 | 92.9 Ų | 92.9 | 50% | 0.502 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.2 | -35.9 | 178.9 | -63.2 | -46.8 | -178.8 | -175.6 | -4.1 | 112.4 | E482 L483 E489 I490 | E482-R486 WeakPolarHBondContact O-CG 3.45Å; E482-R486 PolarHBondContact O-N 2.88Å; L483-R486 PolarHBondContact O-N 2.92Å; R486-E489 WeakPolarHBondContact CD-OE2 3.26Å; R486-E489 IonicContact CZ-OE1 3.09Å; R486-E489 IonicContact CZ-OE2 2.78Å; R486-E489 IonicContact NE-OE2 2.7Å; R486-E489 VanDerWaalsContact NH1-CD 3.34Å; R486-E489 IonicContact NH1-OE1 3.75Å; R486-E489 PolarHBondContact NH1-OE1 3.12Å; R486-E489 VanDerWaalsContact NH1-OE1 3.14Å; R486-E489 IonicContact NH1-OE2 2.87Å; R486-E489 PolarHBondContact NH1-OE2 3.31Å; R486-E489 PolarHBondContact O-N 3.04Å; R486-I490 WeakPolarHBondContact O-CB 3.06Å; R486-I490 WeakPolarHBondContact O-CD1 3.35Å; R486-I490 VanDerWaalsContact O-CG1 3.22Å; R486-I490 WeakPolarHBondContact O-CG1 3.13Å; R486-I490 PolarHBondContact O-N 2.89Å |
| 487 | V | 98.8 | Very high | 98.6 | Very high | 80 Ų | 80 | 93.9 Ų | 93.9 | 49% | 0.485 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 171.8 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | L483 A484 Q485 I490 V491 | L483-V487 HydrophobicContact CD1-CG2 4.44Å; L483-V487 WeakPolarHBondContact O-CG2 3.31Å; L483-V487 PolarHBondContact O-N 3.23Å; A484-V487 PolarHBondContact O-N 3.46Å; Q485-V487 VanDerWaalsContact C-N 3.3Å; Q485-V487 PolarHBondContact O-N 3.28Å; V487-I490 PolarHBondContact O-N 2.76Å; V487-V491 WeakPolarHBondContact O-CG2 3.49Å; V487-V491 PolarHBondContact O-N 3Å |
| 488 | G | 98.6 | Very high | 98.6 | Very high | 41 Ų | 41 | 96.6 Ų | 96.6 | 42% | 0.423 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.6 | -46 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A484 Q485 I490 V491 S492 | A484-G488 PolarHBondContact O-N 3.07Å; Q485-G488 CarbonylContact O-C 3.58Å; Q485-G488 WeakPolarHBondContact O-CA 3.27Å; Q485-G488 PolarHBondContact O-N 3.26Å; G488-I490 PolarHBondContact O-N 2.89Å; G488-V491 PolarHBondContact O-N 3.36Å; G488-S492 PolarHBondContact O-N 3.37Å |
| 489 | E | 98.6 | Very high | 98.6 | Very high | 68 Ų | 68 | 98.8 Ų | 98.8 | 32% | 0.318 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 174.3 | -70.2 | 169.9 | -172.3 | 0 | 0 | 111.4 | Q485 R486 V491 S492 L493 | Q485-E489 HydrophobicContact CG-CG 4.5Å; Q485-E489 PolarHBondContact NE2-OE1 2.89Å; Q485-E489 WeakPolarHBondContact O-CG 3.48Å; Q485-E489 PolarHBondContact O-N 3.49Å; R486-E489 WeakPolarHBondContact CD-OE2 3.26Å; R486-E489 IonicContact CZ-OE1 3.09Å; R486-E489 IonicContact CZ-OE2 2.78Å; R486-E489 IonicContact NE-OE2 2.7Å; R486-E489 VanDerWaalsContact NH1-CD 3.34Å; R486-E489 IonicContact NH1-OE1 3.75Å; R486-E489 PolarHBondContact NH1-OE1 3.12Å; R486-E489 VanDerWaalsContact NH1-OE1 3.14Å; R486-E489 IonicContact NH1-OE2 2.87Å; R486-E489 PolarHBondContact NH1-OE2 3.31Å; R486-E489 PolarHBondContact O-N 3.04Å; E489-V491 VanDerWaalsContact C-N 3.33Å; E489-V491 PolarHBondContact O-N 3.35Å; E489-S492 PolarHBondContact O-N 2.98Å; E489-L493 WeakPolarHBondContact O-CB 3.33Å; E489-L493 VanDerWaalsContact O-CG 3.32Å; E489-L493 WeakPolarHBondContact O-CG 3.41Å; E489-L493 PolarHBondContact O-N 3.05Å |
| 490 | I | 98.7 | Very high | 98.5 | Very high | 82 Ų | 82 | 98 Ų | 98 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -37.6 | 176.8 | -70.9 | 164.4 | 0 | 0 | 0 | 111.8 | R486 V487 G488 R494 | R486-I490 WeakPolarHBondContact O-CB 3.06Å; R486-I490 WeakPolarHBondContact O-CD1 3.35Å; R486-I490 VanDerWaalsContact O-CG1 3.22Å; R486-I490 WeakPolarHBondContact O-CG1 3.13Å; R486-I490 PolarHBondContact O-N 2.89Å; V487-I490 PolarHBondContact O-N 2.76Å; G488-I490 PolarHBondContact O-N 2.89Å; I490-R494 WeakPolarHBondContact O-CB 3.48Å; I490-R494 WeakPolarHBondContact O-CD 3.41Å; I490-R494 WeakPolarHBondContact O-CG 3.36Å; I490-R494 PolarHBondContact O-N 3.22Å |
| 491 | V | 98.7 | Very high | 98.5 | Very high | 90 Ų | 90 | 101.2 Ų | 101.2 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 175.5 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | V487 G488 E489 R494 G495 | V487-V491 WeakPolarHBondContact O-CG2 3.49Å; V487-V491 PolarHBondContact O-N 3Å; G488-V491 PolarHBondContact O-N 3.36Å; E489-V491 VanDerWaalsContact C-N 3.33Å; E489-V491 PolarHBondContact O-N 3.35Å; V491-R494 PolarHBondContact O-N 3.41Å; V491-G495 PolarHBondContact O-N 2.83Å |
| 492 | S | 98.5 | Very high | 98.5 | Very high | 65 Ų | 65 | 99 Ų | 99 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.2 | -49.7 | 175.8 | -174.2 | 0 | 0 | 0 | 0 | 112 | G488 E489 R494 G495 Q496 | G488-S492 PolarHBondContact O-N 3.37Å; E489-S492 PolarHBondContact O-N 2.98Å; S492-R494 VanDerWaalsContact C-N 3.3Å; S492-R494 PolarHBondContact O-N 3.09Å; S492-G495 WeakPolarHBondContact O-CA 3.38Å; S492-G495 PolarHBondContact O-N 2.83Å; S492-Q496 PolarHBondContact O-N 2.99Å |
| 493 | L | 98.6 | Very high | 98.5 | Very high | 104 Ų | 104 | 98.9 Ų | 98.9 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -35.3 | 176.6 | -69.3 | 169 | 0 | 0 | 0 | 112.4 | E489 G495 Q496 L497 | E489-L493 WeakPolarHBondContact O-CB 3.33Å; E489-L493 VanDerWaalsContact O-CG 3.32Å; E489-L493 WeakPolarHBondContact O-CG 3.41Å; E489-L493 PolarHBondContact O-N 3.05Å; L493-G495 VanDerWaalsContact C-N 3.31Å; L493-Q496 PolarHBondContact O-N 3.35Å; L493-L497 VanDerWaalsContact O-CB 3.32Å; L493-L497 WeakPolarHBondContact O-CB 3.42Å; L493-L497 PolarHBondContact O-N 3.2Å |
| 494 | R | 98.6 | Very high | 98.4 | Very high | 165 Ų | 165 | 99.1 Ų | 99.1 | 62% | 0.623 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.1 | -26.4 | 171.8 | -77.2 | 170.6 | 174.3 | 174.3 | -0.6 | 113.3 | I490 V491 S492 R498 | I490-R494 WeakPolarHBondContact O-CB 3.48Å; I490-R494 WeakPolarHBondContact O-CD 3.41Å; I490-R494 WeakPolarHBondContact O-CG 3.36Å; I490-R494 PolarHBondContact O-N 3.22Å; V491-R494 PolarHBondContact O-N 3.41Å; S492-R494 VanDerWaalsContact C-N 3.3Å; S492-R494 PolarHBondContact O-N 3.09Å; R494-R498 PolarHBondContact O-N 3.07Å |
| 495 | G | 98.5 | Very high | 98.4 | Very high | 28 Ų | 28 | 99.7 Ų | 99.7 | 29% | 0.289 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -56.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111 | V491 S492 L493 L497 R498 E499 | V491-G495 PolarHBondContact O-N 2.83Å; S492-G495 WeakPolarHBondContact O-CA 3.38Å; S492-G495 PolarHBondContact O-N 2.83Å; L493-G495 VanDerWaalsContact C-N 3.31Å; G495-L497 VanDerWaalsContact C-N 3.28Å; G495-L497 PolarHBondContact O-N 3.17Å; G495-R498 WeakPolarHBondContact O-CA 3.48Å; G495-R498 WeakPolarHBondContact O-CB 3.44Å; G495-R498 PolarHBondContact O-N 3.32Å; G495-E499 PolarHBondContact O-N 2.91Å |
| 496 | Q | 98.3 | Very high | 98.3 | Very high | 98 Ų | 98 | 99.4 Ų | 99.4 | 46% | 0.458 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.4 | -39.7 | 178.6 | -64.1 | 170.4 | 11.5 | 0 | 0 | 112.4 | S492 L493 R498 E499 T500 | S492-Q496 PolarHBondContact O-N 2.99Å; L493-Q496 PolarHBondContact O-N 3.35Å; Q496-R498 VanDerWaalsContact C-N 3.29Å; Q496-R498 PolarHBondContact O-N 3.49Å; Q496-E499 PolarHBondContact O-N 2.86Å; Q496-T500 WeakPolarHBondContact O-CB 3.22Å; Q496-T500 WeakPolarHBondContact O-CG2 3.41Å; Q496-T500 PolarHBondContact O-N 3.08Å; Q496-T500 PolarHBondContact O-OG1 2.87Å |
| 497 | L | 98.4 | Very high | 98.3 | Very high | 122 Ų | 122 | 96.9 Ų | 96.9 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.4 | -29 | 175 | -172.7 | 69.9 | 0 | 0 | 0 | 113.2 | L493 G495 R501 | L493-L497 VanDerWaalsContact O-CB 3.32Å; L493-L497 WeakPolarHBondContact O-CB 3.42Å; L493-L497 PolarHBondContact O-N 3.2Å; G495-L497 VanDerWaalsContact C-N 3.28Å; G495-L497 PolarHBondContact O-N 3.17Å; L497-R501 WeakPolarHBondContact O-CB 3.48Å; L497-R501 PolarHBondContact O-N 3.04Å |
| 498 | R | 98.4 | Very high | 98.2 | Very high | 189 Ų | 189 | 97.8 Ų | 97.8 | 71% | 0.713 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -78.5 | -40.9 | 175.2 | -170.1 | -169.2 | -60.4 | 130.8 | 0.4 | 111 | R494 G495 Q496 R501 G502 | R494-R498 PolarHBondContact O-N 3.07Å; G495-R498 WeakPolarHBondContact O-CA 3.48Å; G495-R498 WeakPolarHBondContact O-CB 3.44Å; G495-R498 PolarHBondContact O-N 3.32Å; Q496-R498 VanDerWaalsContact C-N 3.29Å; Q496-R498 PolarHBondContact O-N 3.49Å; R498-R501 PolarHBondContact O-N 3.45Å; R498-G502 PolarHBondContact O-N 3.16Å |
| 499 | E | 98.1 | Very high | 98.2 | Very high | 132 Ų | 132 | 99.3 Ų | 99.3 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.6 | -56.1 | 179.3 | -174.1 | 163.4 | -137 | 0 | 0 | 111.3 | G495 Q496 R501 G502 E503 | G495-E499 PolarHBondContact O-N 2.91Å; Q496-E499 PolarHBondContact O-N 2.86Å; E499-R501 PolarHBondContact O-N 2.94Å; E499-G502 CarbonylContact O-C 3.56Å; E499-G502 VanDerWaalsContact O-CA 3.27Å; E499-G502 WeakPolarHBondContact O-CA 3.4Å; E499-G502 PolarHBondContact O-N 3.31Å; E499-E503 PolarHBondContact O-N 3.38Å |
| 500 | T | 98.1 | Very high | 98.2 | Very high | 71 Ų | 71 | 101 Ų | 101 | 44% | 0.436 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.7 | -32.2 | 174.8 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | Q496 E503 L504 | Q496-T500 WeakPolarHBondContact O-CB 3.22Å; Q496-T500 WeakPolarHBondContact O-CG2 3.41Å; Q496-T500 PolarHBondContact O-N 3.08Å; Q496-T500 PolarHBondContact O-OG1 2.87Å; T500-E503 WeakPolarHBondContact CA-OE2 3.49Å; T500-L504 WeakPolarHBondContact O-CB 3.45Å; T500-L504 PolarHBondContact O-N 3.35Å |
| 501 | R | 98.3 | Very high | 98.1 | Very high | 182 Ų | 182 | 102.2 Ų | 102.2 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.1 | -33.4 | 171.3 | -176.8 | 173.5 | 179.2 | 168 | 1 | 112.5 | L497 R498 E499 T505 | L497-R501 WeakPolarHBondContact O-CB 3.48Å; L497-R501 PolarHBondContact O-N 3.04Å; R498-R501 PolarHBondContact O-N 3.45Å; E499-R501 PolarHBondContact O-N 2.94Å; R501-T505 PolarHBondContact O-N 3.28Å; R501-T505 VanDerWaalsContact O-N 3.07Å; R501-T505 PolarHBondContact O-OG1 2.95Å |
| 502 | G | 98.1 | Very high | 98 | Very high | 25 Ų | 25 | 104.2 Ų | 104.2 | 26% | 0.258 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.1 | -46.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R498 E499 L504 T505 N506 | R498-G502 PolarHBondContact O-N 3.16Å; E499-G502 CarbonylContact O-C 3.56Å; E499-G502 VanDerWaalsContact O-CA 3.27Å; E499-G502 WeakPolarHBondContact O-CA 3.4Å; E499-G502 PolarHBondContact O-N 3.31Å; G502-L504 VanDerWaalsContact C-N 3.31Å; G502-L504 PolarHBondContact O-N 3.43Å; G502-T505 WeakPolarHBondContact CA-OG1 3.46Å; G502-T505 PolarHBondContact O-N 2.86Å; G502-T505 VanDerWaalsContact O-N 3.14Å; G502-T505 PolarHBondContact O-OG1 3.26Å; G502-N506 VanDerWaalsContact O-CG 3.23Å; G502-N506 PolarHBondContact O-N 3.01Å; G502-N506 PolarHBondContact O-OD1 3.42Å |
| 503 | E | 97.9 | Very high | 98 | Very high | 111 Ų | 111 | 106.5 Ų | 106.5 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58 | -42.5 | 173.3 | -63.3 | 176.7 | 143.1 | 0 | 0 | 111.9 | E499 T500 N506 T507 | E499-E503 PolarHBondContact O-N 3.38Å; T500-E503 WeakPolarHBondContact CA-OE2 3.49Å; E503-N506 PolarHBondContact O-N 3.27Å; E503-T507 WeakPolarHBondContact O-CG2 3.5Å; E503-T507 PolarHBondContact O-N 3.25Å; E503-T507 PolarHBondContact O-OG1 3.42Å |
| 504 | L | 97.8 | Very high | 97.9 | Very high | 117 Ų | 117 | 104 Ų | 104 | 61% | 0.613 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.8 | -40.2 | 174.5 | -177.7 | 61.9 | 0 | 0 | 0 | 112.2 | T500 G502 T507 Q508 | T500-L504 WeakPolarHBondContact O-CB 3.45Å; T500-L504 PolarHBondContact O-N 3.35Å; G502-L504 VanDerWaalsContact C-N 3.31Å; G502-L504 PolarHBondContact O-N 3.43Å; L504-T507 WeakPolarHBondContact CA-OG1 3.3Å; L504-T507 PolarHBondContact O-OG1 2.89Å; L504-T507 VanDerWaalsContact O-OG1 3.1Å; L504-Q508 VanDerWaalsContact O-CB 3.28Å; L504-Q508 WeakPolarHBondContact O-CB 3.5Å; L504-Q508 PolarHBondContact O-N 2.93Å |
| 505 | T | 97.7 | Very high | 97.8 | Very high | 77 Ų | 77 | 100.4 Ų | 100.4 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.5 | -37.8 | 174.1 | 44.7 | 0 | 0 | 0 | 0 | 112.6 | R501 G502 Q508 V509 | R501-T505 PolarHBondContact O-N 3.28Å; R501-T505 VanDerWaalsContact O-N 3.07Å; R501-T505 PolarHBondContact O-OG1 2.95Å; G502-T505 WeakPolarHBondContact CA-OG1 3.46Å; G502-T505 PolarHBondContact O-N 2.86Å; G502-T505 VanDerWaalsContact O-N 3.14Å; G502-T505 PolarHBondContact O-OG1 3.26Å; T505-Q508 PolarHBondContact O-N 3.18Å; T505-V509 WeakPolarHBondContact O-CG2 3.47Å; T505-V509 PolarHBondContact O-N 3.44Å |
| 506 | N | 97.9 | Very high | 97.8 | Very high | 107 Ų | 107 | 100.4 Ų | 100.4 | 57% | 0.572 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.6 | -45.8 | 178.2 | -66.8 | -10.2 | 0 | 0 | 0 | 111.4 | G502 E503 Q508 V509 L510 | G502-N506 VanDerWaalsContact O-CG 3.23Å; G502-N506 PolarHBondContact O-N 3.01Å; G502-N506 PolarHBondContact O-OD1 3.42Å; E503-N506 PolarHBondContact O-N 3.27Å; N506-Q508 VanDerWaalsContact C-N 3.3Å; N506-Q508 PolarHBondContact O-N 3.38Å; N506-V509 PolarHBondContact O-N 3.01Å; N506-L510 WeakPolarHBondContact O-CG 3.23Å; N506-L510 PolarHBondContact O-N 3.23Å |
| 507 | T | 97.4 | Very high | 97.7 | Very high | 81 Ų | 81 | 99.1 Ų | 99.1 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -33.9 | 175.3 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | E503 L504 L511 | E503-T507 WeakPolarHBondContact O-CG2 3.5Å; E503-T507 PolarHBondContact O-N 3.25Å; E503-T507 PolarHBondContact O-OG1 3.42Å; L504-T507 WeakPolarHBondContact CA-OG1 3.3Å; L504-T507 PolarHBondContact O-OG1 2.89Å; L504-T507 VanDerWaalsContact O-OG1 3.1Å; T507-L511 WeakPolarHBondContact O-CB 3.47Å; T507-L511 PolarHBondContact O-N 3.37Å |
| 508 | Q | 97.7 | Very high | 97.6 | Very high | 98 Ų | 98 | 97 Ų | 97 | 46% | 0.458 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -35.6 | 172.5 | -179.4 | 60.2 | 92.7 | 0 | 0 | 113 | L504 T505 N506 Q512 | L504-Q508 VanDerWaalsContact O-CB 3.28Å; L504-Q508 WeakPolarHBondContact O-CB 3.5Å; L504-Q508 PolarHBondContact O-N 2.93Å; T505-Q508 PolarHBondContact O-N 3.18Å; N506-Q508 VanDerWaalsContact C-N 3.3Å; N506-Q508 PolarHBondContact O-N 3.38Å; Q508-Q512 PolarHBondContact O-N 3.33Å; Q508-Q512 VanDerWaalsContact O-N 3.16Å |
| 509 | V | 97.9 | Very high | 97.6 | Very high | 73 Ų | 73 | 95.2 Ų | 95.2 | 44% | 0.442 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -50.4 | 173.4 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | T505 N506 L511 Q512 E513 | T505-V509 WeakPolarHBondContact O-CG2 3.47Å; T505-V509 PolarHBondContact O-N 3.44Å; N506-V509 PolarHBondContact O-N 3.01Å; V509-L511 PolarHBondContact O-N 3.08Å; V509-Q512 WeakPolarHBondContact O-CA 3.26Å; V509-Q512 WeakPolarHBondContact O-CB 3.47Å; V509-Q512 PolarHBondContact O-N 3.4Å; V509-E513 HydrophobicContact CG1-CG 4.49Å; V509-E513 PolarHBondContact O-N 2.88Å |
| 510 | L | 97.8 | Very high | 97.6 | Very high | 105 Ų | 105 | 92.4 Ų | 92.4 | 55% | 0.55 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -55.9 | -35.7 | 176.1 | -68.2 | 169.8 | 0 | 0 | 0 | 112.2 | N506 E513 A514 | N506-L510 WeakPolarHBondContact O-CG 3.23Å; N506-L510 PolarHBondContact O-N 3.23Å; L510-E513 PolarHBondContact O-N 3.47Å; L510-A514 VanDerWaalsContact O-CB 3.3Å; L510-A514 WeakPolarHBondContact O-CB 3.36Å; L510-A514 PolarHBondContact O-N 2.75Å |
| 511 | L | 97.4 | Very high | 97.5 | Very high | 107 Ų | 107 | 96.6 Ų | 96.6 | 56% | 0.56 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.6 | -37.3 | 174.9 | -166.2 | 155.1 | 0 | 0 | 0 | 112.1 | T507 V509 H515 | T507-L511 WeakPolarHBondContact O-CB 3.47Å; T507-L511 PolarHBondContact O-N 3.37Å; V509-L511 PolarHBondContact O-N 3.08Å; L511-H515 WeakPolarHBondContact O-CB 3.46Å; L511-H515 PolarHBondContact O-N 3.25Å |
| 512 | Q | 97.1 | Very high | 97.5 | Very high | 132 Ų | 132 | 91.1 Ų | 91.1 | 62% | 0.617 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.4 | -41.1 | 172.8 | -74.1 | -170.6 | -3.6 | 0 | 0 | 112.1 | Q508 V509 H515 G516 | Q508-Q512 PolarHBondContact O-N 3.33Å; Q508-Q512 VanDerWaalsContact O-N 3.16Å; V509-Q512 WeakPolarHBondContact O-CA 3.26Å; V509-Q512 WeakPolarHBondContact O-CB 3.47Å; V509-Q512 PolarHBondContact O-N 3.4Å; Q512-H515 PolarHBondContact O-N 2.95Å; Q512-G516 PolarHBondContact O-N 2.8Å |
| 513 | E | 97.1 | Very high | 97.5 | Very high | 113 Ų | 113 | 95.4 Ų | 95.4 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 175.6 | -67.4 | 172.3 | 176.4 | 0 | 0 | 111.6 | V509 L510 H515 G516 T517 | V509-E513 HydrophobicContact CG1-CG 4.49Å; V509-E513 PolarHBondContact O-N 2.88Å; L510-E513 PolarHBondContact O-N 3.47Å; E513-H515 VanDerWaalsContact C-N 3.33Å; E513-H515 PolarHBondContact O-N 3.43Å; E513-G516 PolarHBondContact O-N 3.01Å; E513-T517 PolarHBondContact O-N 3.25Å; E513-T517 PolarHBondContact O-OG1 2.94Å |
| 514 | A | 96.4 | Very high | 97.4 | Very high | 50 Ų | 50 | 95.2 Ų | 95.2 | 41% | 0.413 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L510 T517 T518 | L510-A514 VanDerWaalsContact O-CB 3.3Å; L510-A514 WeakPolarHBondContact O-CB 3.36Å; L510-A514 PolarHBondContact O-N 2.75Å; A514-T517 WeakPolarHBondContact CA-OG1 3.49Å; A514-T517 PolarHBondContact O-OG1 3.21Å; A514-T517 VanDerWaalsContact O-OG1 3.06Å; A514-T518 WeakPolarHBondContact O-CB 3.31Å; A514-T518 PolarHBondContact O-N 3.04Å; A514-T518 PolarHBondContact O-OG1 2.93Å |
| 515 | H | 97.4 | Very high | 97.3 | Very high | 91 Ų | 91 | 95.4 Ų | 95.4 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.1 | -35.9 | 175 | -167.7 | 5.5 | 0 | 0 | 0 | 111.9 | L511 Q512 E513 T518 R519 | L511-H515 WeakPolarHBondContact O-CB 3.46Å; L511-H515 PolarHBondContact O-N 3.25Å; Q512-H515 PolarHBondContact O-N 2.95Å; E513-H515 VanDerWaalsContact C-N 3.33Å; E513-H515 PolarHBondContact O-N 3.43Å; H515-T518 PolarHBondContact O-N 2.74Å; H515-R519 PolarHBondContact CD2-NH2 3.41Å; H515-R519 PolarHBondContact CE1-NE 3.37Å; H515-R519 VanDerWaalsContact CE1-NE 3.33Å; H515-R519 PolarHBondContact NE2-NH2 2.92Å; H515-R519 WeakPolarHBondContact O-CG 3.42Å; H515-R519 PolarHBondContact O-N 3.49Å |
| 516 | G | 97.5 | Very high | 97.2 | Very high | 27 Ų | 27 | 96.2 Ų | 96.2 | 28% | 0.278 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -53.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q512 E513 T518 R519 T520 | Q512-G516 PolarHBondContact O-N 2.8Å; E513-G516 PolarHBondContact O-N 3.01Å; G516-T518 PolarHBondContact O-N 2.84Å; G516-R519 WeakPolarHBondContact O-CB 3.38Å; G516-R519 PolarHBondContact O-N 2.92Å; G516-T520 PolarHBondContact O-N 2.95Å |
| 517 | T | 97.1 | Very high | 97.2 | Very high | 72 Ų | 72 | 95.5 Ų | 95.5 | 44% | 0.442 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.4 | -26.7 | 177 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | E513 A514 T520 R521 | E513-T517 PolarHBondContact O-N 3.25Å; E513-T517 PolarHBondContact O-OG1 2.94Å; A514-T517 WeakPolarHBondContact CA-OG1 3.49Å; A514-T517 PolarHBondContact O-OG1 3.21Å; A514-T517 VanDerWaalsContact O-OG1 3.06Å; T517-T520 PolarHBondContact O-OG1 3.2Å; T517-T520 VanDerWaalsContact O-OG1 3.12Å; T517-R521 WeakPolarHBondContact O-CB 3.35Å; T517-R521 VanDerWaalsContact O-CG 3.28Å; T517-R521 WeakPolarHBondContact O-CG 3.36Å; T517-R521 PolarHBondContact O-N 2.91Å |
| 518 | T | 97 | Very high | 97.1 | Very high | 76 Ų | 76 | 95.5 Ų | 95.5 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 169.6 | -58.3 | 0 | 0 | 0 | 0 | 111.2 | A514 H515 G516 R521 T522 | A514-T518 WeakPolarHBondContact O-CB 3.31Å; A514-T518 PolarHBondContact O-N 3.04Å; A514-T518 PolarHBondContact O-OG1 2.93Å; H515-T518 PolarHBondContact O-N 2.74Å; G516-T518 PolarHBondContact O-N 2.84Å; T518-R521 PolarHBondContact O-N 2.94Å; T518-T522 PolarHBondContact O-N 3.44Å; T518-T522 PolarHBondContact O-OG1 2.93Å; T518-T522 VanDerWaalsContact O-OG1 3.05Å |
| 519 | R | 97.9 | Very high | 97 | Very high | 153 Ų | 153 | 97.4 Ų | 97.4 | 58% | 0.577 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.3 | -38.4 | 178.9 | -67.9 | 170.1 | -166.9 | 153.9 | 1.6 | 112.8 | H515 G516 T522 M523 | H515-R519 PolarHBondContact CD2-NH2 3.41Å; H515-R519 PolarHBondContact CE1-NE 3.37Å; H515-R519 VanDerWaalsContact CE1-NE 3.33Å; H515-R519 PolarHBondContact NE2-NH2 2.92Å; H515-R519 WeakPolarHBondContact O-CG 3.42Å; H515-R519 PolarHBondContact O-N 3.49Å; G516-R519 WeakPolarHBondContact O-CB 3.38Å; G516-R519 PolarHBondContact O-N 2.92Å; R519-T522 PolarHBondContact O-N 2.91Å; R519-M523 PolarHBondContact O-N 3.44Å; R519-M523 VanDerWaalsContact O-N 3.08Å |
| 520 | T | 97.4 | Very high | 96.9 | Very high | 72 Ų | 72 | 99.4 Ų | 99.4 | 44% | 0.442 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 175.5 | 63.5 | 0 | 0 | 0 | 0 | 110.5 | G516 T517 T522 M523 E524 | G516-T520 PolarHBondContact O-N 2.95Å; T517-T520 PolarHBondContact O-OG1 3.2Å; T517-T520 VanDerWaalsContact O-OG1 3.12Å; T520-T522 VanDerWaalsContact C-N 3.32Å; T520-T522 PolarHBondContact O-N 3.36Å; T520-M523 WeakPolarHBondContact O-CB 3.47Å; T520-M523 PolarHBondContact O-N 3.19Å; T520-M523 VanDerWaalsContact O-N 3.13Å; T520-E524 VanDerWaalsContact O-CG 3.26Å; T520-E524 WeakPolarHBondContact O-CG 3.34Å; T520-E524 PolarHBondContact O-N 2.96Å |
| 521 | R | 97.1 | Very high | 96.9 | Very high | 160 Ų | 160 | 97.5 Ų | 97.5 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.8 | -35.5 | 173.8 | -73.3 | 173.3 | 179.5 | 175.3 | 1.3 | 113.6 | T517 T518 E524 L525 | T517-R521 WeakPolarHBondContact O-CB 3.35Å; T517-R521 VanDerWaalsContact O-CG 3.28Å; T517-R521 WeakPolarHBondContact O-CG 3.36Å; T517-R521 PolarHBondContact O-N 2.91Å; T518-R521 PolarHBondContact O-N 2.94Å; R521-E524 PolarHBondContact O-N 3.45Å; R521-L525 WeakPolarHBondContact O-CB 3.3Å; R521-L525 VanDerWaalsContact O-CG 3.26Å; R521-L525 WeakPolarHBondContact O-CG 3.31Å; R521-L525 PolarHBondContact O-N 3.43Å |
| 522 | T | 97.3 | Very high | 96.8 | Very high | 66 Ų | 66 | 98.1 Ų | 98.1 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -47.7 | 172.4 | -54.6 | 0 | 0 | 0 | 0 | 111 | T518 R519 T520 E524 L525 E526 | T518-T522 PolarHBondContact O-N 3.44Å; T518-T522 PolarHBondContact O-OG1 2.93Å; T518-T522 VanDerWaalsContact O-OG1 3.05Å; R519-T522 PolarHBondContact O-N 2.91Å; T520-T522 VanDerWaalsContact C-N 3.32Å; T520-T522 PolarHBondContact O-N 3.36Å; T522-E524 PolarHBondContact O-N 3.38Å; T522-L525 PolarHBondContact O-N 2.86Å; T522-E526 WeakPolarHBondContact O-CG 3.36Å; T522-E526 PolarHBondContact O-N 3.25Å |
| 523 | M | 97.6 | Very high | 96.7 | Very high | 115 Ų | 115 | 97.3 Ų | 97.3 | 57% | 0.567 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -40.5 | 176 | -174.3 | 64.7 | 55.9 | 0 | 0 | 112.3 | R519 T520 E526 V527 | R519-M523 PolarHBondContact O-N 3.44Å; R519-M523 VanDerWaalsContact O-N 3.08Å; T520-M523 WeakPolarHBondContact O-CB 3.47Å; T520-M523 PolarHBondContact O-N 3.19Å; T520-M523 VanDerWaalsContact O-N 3.13Å; M523-E526 PolarHBondContact O-N 2.82Å; M523-V527 WeakPolarHBondContact O-CG2 3.42Å; M523-V527 PolarHBondContact O-N 3.04Å |
| 524 | E | 96.7 | Very high | 96.7 | Very high | 107 Ų | 107 | 97 Ų | 97 | 50% | 0.5 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 174.7 | -70.6 | 154.6 | -153.3 | 0 | 0 | 111.8 | T520 R521 T522 V527 C528 | T520-E524 VanDerWaalsContact O-CG 3.26Å; T520-E524 WeakPolarHBondContact O-CG 3.34Å; T520-E524 PolarHBondContact O-N 2.96Å; R521-E524 PolarHBondContact O-N 3.45Å; T522-E524 PolarHBondContact O-N 3.38Å; E524-V527 PolarHBondContact O-N 3.49Å; E524-C528 WeakPolarHBondContact O-CB 3.31Å; E524-C528 PolarHBondContact O-N 2.95Å; E524-C528 PolarHBondContact O-SG 3.19Å |
| 525 | L | 95.5 | Very high | 96.6 | Very high | 121 Ų | 121 | 101.2 Ų | 101.2 | 63% | 0.634 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.1 | -42.5 | 174.8 | -73.6 | 169.9 | 0 | 0 | 0 | 112.3 | R521 T522 V527 C528 E529 | R521-L525 WeakPolarHBondContact O-CB 3.3Å; R521-L525 VanDerWaalsContact O-CG 3.26Å; R521-L525 WeakPolarHBondContact O-CG 3.31Å; R521-L525 PolarHBondContact O-N 3.43Å; T522-L525 PolarHBondContact O-N 2.86Å; L525-V527 VanDerWaalsContact C-N 3.31Å; L525-V527 PolarHBondContact O-N 2.97Å; L525-C528 PolarHBondContact O-N 3.24Å; L525-C528 VanDerWaalsContact O-N 3.16Å; L525-E529 WeakPolarHBondContact O-CB 3.3Å; L525-E529 PolarHBondContact O-N 2.9Å |
| 526 | E | 96.6 | Very high | 96.5 | Very high | 95 Ų | 95 | 101.9 Ų | 101.9 | 44% | 0.444 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 173.6 | -74.3 | 172.2 | -159.9 | 0 | 0 | 111.1 | T522 M523 E529 N530 | T522-E526 WeakPolarHBondContact O-CG 3.36Å; T522-E526 PolarHBondContact O-N 3.25Å; M523-E526 PolarHBondContact O-N 2.82Å; E526-E529 PolarHBondContact O-N 3Å; E526-N530 WeakPolarHBondContact O-CB 3.48Å; E526-N530 PolarHBondContact O-N 3.39Å; E526-N530 PolarHBondContact O-ND2 3.46Å |
| 527 | V | 96.9 | Very high | 96.4 | Very high | 91 Ų | 91 | 103.6 Ų | 103.6 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.8 | -41.1 | 174.7 | 170 | 0 | 0 | 0 | 0 | 111.6 | M523 E524 L525 N530 E531 | M523-V527 WeakPolarHBondContact O-CG2 3.42Å; M523-V527 PolarHBondContact O-N 3.04Å; E524-V527 PolarHBondContact O-N 3.49Å; L525-V527 VanDerWaalsContact C-N 3.31Å; L525-V527 PolarHBondContact O-N 2.97Å; V527-N530 PolarHBondContact O-N 3.28Å; V527-E531 PolarHBondContact O-N 2.86Å |
| 528 | C | 95.6 | Very high | 96.3 | Very high | 81 Ų | 81 | 104 Ų | 104 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 176.7 | -69.2 | 0 | 0 | 0 | 0 | 112.6 | E524 L525 L532 | E524-C528 WeakPolarHBondContact O-CB 3.31Å; E524-C528 PolarHBondContact O-N 2.95Å; E524-C528 PolarHBondContact O-SG 3.19Å; L525-C528 PolarHBondContact O-N 3.24Å; L525-C528 VanDerWaalsContact O-N 3.16Å; C528-L532 VanDerWaalsContact O-CB 3.26Å; C528-L532 WeakPolarHBondContact O-CB 3.43Å; C528-L532 PolarHBondContact O-N 2.88Å |
| 529 | E | 95.8 | Very high | 96 | Very high | 138 Ų | 138 | 102.1 Ų | 102.1 | 65% | 0.645 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.1 | -39.9 | 176 | -175.1 | 168.4 | -154.6 | 0 | 0 | 111.6 | L525 E526 L532 Q533 | L525-E529 WeakPolarHBondContact O-CB 3.3Å; L525-E529 PolarHBondContact O-N 2.9Å; E526-E529 PolarHBondContact O-N 3Å; E529-L532 PolarHBondContact O-N 3.44Å; E529-Q533 WeakPolarHBondContact O-CB 3.16Å; E529-Q533 PolarHBondContact O-N 3.02Å |
| 530 | N | 96.5 | Very high | 95.7 | Very high | 116 Ų | 116 | 98.7 Ų | 98.7 | 62% | 0.62 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.1 | -45.1 | 173.5 | -82.8 | -78.2 | 0 | 0 | 0 | 112.1 | E526 V527 Q533 R534 | E526-N530 WeakPolarHBondContact O-CB 3.48Å; E526-N530 PolarHBondContact O-N 3.39Å; E526-N530 PolarHBondContact O-ND2 3.46Å; V527-N530 PolarHBondContact O-N 3.28Å; N530-Q533 PolarHBondContact O-N 3.09Å; N530-R534 WeakPolarHBondContact O-CB 3.48Å; N530-R534 PolarHBondContact O-N 2.97Å |
| 531 | E | 96.6 | Very high | 95.6 | Very high | 65 Ų | 65 | 99.3 Ų | 99.3 | 30% | 0.304 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 174.6 | 175.9 | 61.4 | -174.6 | 0 | 0 | 111.6 | V527 Q533 R534 R535 | V527-E531 PolarHBondContact O-N 2.86Å; E531-Q533 PolarHBondContact O-N 2.78Å; E531-R534 CarbonylContact O-C 3.58Å; E531-R534 WeakPolarHBondContact O-CB 3.4Å; E531-R534 PolarHBondContact O-N 3.32Å; E531-R534 IonicContact OE1-CZ 3.51Å; E531-R534 IonicContact OE1-NE 2.67Å; E531-R534 IonicContact OE1-NH2 2.72Å; E531-R534 PolarHBondContact OE1-NH2 2.89Å; E531-R534 IonicContact OE2-CZ 2.66Å; E531-R534 IonicContact OE2-NE 2.84Å; E531-R534 PolarHBondContact OE2-NE 3.32Å; E531-R534 IonicContact OE2-NH2 3.39Å; E531-R534 PolarHBondContact OE2-NH2 3.3Å; E531-R535 WeakPolarHBondContact O-CG 3.46Å; E531-R535 PolarHBondContact O-N 3.31Å; E531-R535 IonicContact OE1-CZ 3.71Å; E531-R535 VanDerWaalsContact OE1-CZ 3.22Å; E531-R535 IonicContact OE1-NE 2.67Å; E531-R535 PolarHBondContact OE1-NE 3.42Å; E531-R535 IonicContact OE1-NH2 3.44Å; E531-R535 PolarHBondContact OE1-NH2 3.45Å |
| 532 | L | 95.2 | Very high | 95.4 | Very high | 120 Ų | 120 | 96.7 Ų | 96.7 | 63% | 0.628 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62 | -42.5 | 174.4 | 177.9 | 62 | 0 | 0 | 0 | 111.9 | C528 E529 R534 R535 K536 | C528-L532 VanDerWaalsContact O-CB 3.26Å; C528-L532 WeakPolarHBondContact O-CB 3.43Å; C528-L532 PolarHBondContact O-N 2.88Å; E529-L532 PolarHBondContact O-N 3.44Å; L532-R534 VanDerWaalsContact C-N 3.31Å; L532-R535 PolarHBondContact O-N 2.9Å; L532-K536 WeakPolarHBondContact O-CB 3.48Å; L532-K536 PolarHBondContact O-N 2.87Å |
| 533 | Q | 96 | Very high | 95.2 | Very high | 115 Ų | 115 | 100.6 Ų | 100.6 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.7 | -34 | 175.1 | -173.4 | 75 | -32.1 | 0 | 0 | 111.5 | E529 N530 E531 K536 S537 | E529-Q533 WeakPolarHBondContact O-CB 3.16Å; E529-Q533 PolarHBondContact O-N 3.02Å; N530-Q533 PolarHBondContact O-N 3.09Å; E531-Q533 PolarHBondContact O-N 2.78Å; Q533-K536 PolarHBondContact O-N 2.77Å; Q533-S537 PolarHBondContact O-N 2.92Å; Q533-S537 PolarHBondContact O-OG 3.39Å |
| 534 | R | 96.3 | Very high | 94.9 | Very high | 106 Ų | 106 | 100.4 Ų | 100.4 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 170.5 | -155.6 | -173.6 | 67.4 | 66 | 17.5 | 111.3 | N530 E531 L532 K536 S537 E538 | N530-R534 WeakPolarHBondContact O-CB 3.48Å; N530-R534 PolarHBondContact O-N 2.97Å; E531-R534 CarbonylContact O-C 3.58Å; E531-R534 WeakPolarHBondContact O-CB 3.4Å; E531-R534 PolarHBondContact O-N 3.32Å; E531-R534 IonicContact OE1-CZ 3.51Å; E531-R534 IonicContact OE1-NE 2.67Å; E531-R534 IonicContact OE1-NH2 2.72Å; E531-R534 PolarHBondContact OE1-NH2 2.89Å; E531-R534 IonicContact OE2-CZ 2.66Å; E531-R534 IonicContact OE2-NE 2.84Å; E531-R534 PolarHBondContact OE2-NE 3.32Å; E531-R534 IonicContact OE2-NH2 3.39Å; E531-R534 PolarHBondContact OE2-NH2 3.3Å; L532-R534 VanDerWaalsContact C-N 3.31Å; R534-K536 VanDerWaalsContact C-N 3.31Å; R534-K536 PolarHBondContact O-N 3.5Å; R534-S537 PolarHBondContact O-N 2.7Å; R534-S537 PolarHBondContact O-OG 2.91Å; R534-E538 IonicContact CZ-OE1 3.56Å; R534-E538 IonicContact CZ-OE2 2.72Å; R534-E538 IonicContact NH1-OE1 3.52Å; R534-E538 PolarHBondContact NH1-OE1 3.03Å; R534-E538 IonicContact NH1-OE2 2.72Å; R534-E538 IonicContact NH2-OE1 3.41Å; R534-E538 IonicContact NH2-OE2 2.84Å; R534-E538 WeakPolarHBondContact O-CB 3.32Å; R534-E538 WeakPolarHBondContact O-CG 3.5Å; R534-E538 PolarHBondContact O-N 3.13Å |
| 535 | R | 95 | Very high | 94.7 | Very high | 139 Ų | 139 | 100.2 Ų | 100.2 | 53% | 0.525 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -36 | 172.3 | -63.9 | -50 | 176.7 | 101.4 | 9.2 | 113 | E531 L532 E538 A539 | E531-R535 WeakPolarHBondContact O-CG 3.46Å; E531-R535 PolarHBondContact O-N 3.31Å; E531-R535 IonicContact OE1-CZ 3.71Å; E531-R535 VanDerWaalsContact OE1-CZ 3.22Å; E531-R535 IonicContact OE1-NE 2.67Å; E531-R535 PolarHBondContact OE1-NE 3.42Å; E531-R535 IonicContact OE1-NH2 3.44Å; E531-R535 PolarHBondContact OE1-NH2 3.45Å; L532-R535 PolarHBondContact O-N 2.9Å; R535-E538 WeakPolarHBondContact CD-OE2 3.32Å; R535-E538 IonicContact NE-OE2 3.2Å; R535-A539 WeakPolarHBondContact O-CB 3.47Å; R535-A539 PolarHBondContact O-N 3.27Å |
| 536 | K | 95.9 | Very high | 94.4 | Very high | 105 Ų | 105 | 97.8 Ų | 97.8 | 46% | 0.457 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 178.3 | -174.8 | -174.8 | 171.2 | -169.6 | 0 | 110.9 | L532 Q533 R534 A539 E540 | L532-K536 WeakPolarHBondContact O-CB 3.48Å; L532-K536 PolarHBondContact O-N 2.87Å; Q533-K536 PolarHBondContact O-N 2.77Å; R534-K536 VanDerWaalsContact C-N 3.31Å; R534-K536 PolarHBondContact O-N 3.5Å; K536-A539 CarbonylContact O-C 3.6Å; K536-A539 PolarHBondContact O-N 3.23Å; K536-E540 WeakPolarHBondContact CE-OE1 3.46Å; K536-E540 VanDerWaalsContact O-CG 3.3Å; K536-E540 WeakPolarHBondContact O-CG 3.47Å; K536-E540 PolarHBondContact O-N 3.49Å |
| 537 | S | 95.4 | Very high | 94 | Very high | 62 Ų | 62 | 95 Ų | 95 | 43% | 0.434 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.8 | -36.1 | 176.1 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | Q533 R534 E540 L541 | Q533-S537 PolarHBondContact O-N 2.92Å; Q533-S537 PolarHBondContact O-OG 3.39Å; R534-S537 PolarHBondContact O-N 2.7Å; R534-S537 PolarHBondContact O-OG 2.91Å; S537-E540 PolarHBondContact O-N 3.47Å; S537-L541 WeakPolarHBondContact O-CB 3.44Å; S537-L541 PolarHBondContact O-N 3.18Å |
| 538 | E | 94.3 | Very high | 93.6 | Very high | 80 Ų | 80 | 96.9 Ų | 96.9 | 37% | 0.374 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -59 | -45.2 | 166.8 | -76.4 | -180 | 149 | 0 | 0 | 111.7 | R534 R535 E540 L541 L542 | R534-E538 IonicContact CZ-OE1 3.56Å; R534-E538 IonicContact CZ-OE2 2.72Å; R534-E538 IonicContact NH1-OE1 3.52Å; R534-E538 PolarHBondContact NH1-OE1 3.03Å; R534-E538 IonicContact NH1-OE2 2.72Å; R534-E538 IonicContact NH2-OE1 3.41Å; R534-E538 IonicContact NH2-OE2 2.84Å; R534-E538 WeakPolarHBondContact O-CB 3.32Å; R534-E538 WeakPolarHBondContact O-CG 3.5Å; R534-E538 PolarHBondContact O-N 3.13Å; R535-E538 WeakPolarHBondContact CD-OE2 3.32Å; R535-E538 IonicContact NE-OE2 3.2Å; E538-E540 VanDerWaalsContact C-N 3.32Å; E538-E540 PolarHBondContact O-N 3.04Å; E538-L541 PolarHBondContact O-N 3.05Å; E538-L542 WeakPolarHBondContact O-CB 3.43Å; E538-L542 VanDerWaalsContact O-CG 3.26Å; E538-L542 WeakPolarHBondContact O-CG 3.5Å; E538-L542 PolarHBondContact O-N 2.59Å |
| 539 | A | 89.6 | Confident | 93.1 | Very high | 38 Ų | 38 | 97.5 Ų | 97.5 | 31% | 0.314 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.6 | -25.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R535 K536 R543 | R535-A539 WeakPolarHBondContact O-CB 3.47Å; R535-A539 PolarHBondContact O-N 3.27Å; K536-A539 CarbonylContact O-C 3.6Å; K536-A539 PolarHBondContact O-N 3.23Å; A539-R543 WeakPolarHBondContact O-CB 3.33Å; A539-R543 WeakPolarHBondContact O-CG 3.44Å; A539-R543 PolarHBondContact O-N 3.4Å; A539-R543 PolarHBondContact O-NE 2.97Å; A539-R543 VanDerWaalsContact O-NE 3.16Å |
| 540 | E | 93.3 | Very high | 92.6 | Very high | 80 Ų | 80 | 96.7 Ų | 96.7 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -73.2 | -48.7 | 171.2 | -75.1 | 167.4 | 179.1 | 0 | 0 | 110.3 | K536 S537 E538 L542 R543 E544 | K536-E540 WeakPolarHBondContact CE-OE1 3.46Å; K536-E540 VanDerWaalsContact O-CG 3.3Å; K536-E540 WeakPolarHBondContact O-CG 3.47Å; K536-E540 PolarHBondContact O-N 3.49Å; S537-E540 PolarHBondContact O-N 3.47Å; E538-E540 VanDerWaalsContact C-N 3.32Å; E538-E540 PolarHBondContact O-N 3.04Å; E540-L542 VanDerWaalsContact C-N 3.29Å; E540-L542 PolarHBondContact O-N 3.22Å; E540-R543 CarbonylContact O-C 3.55Å; E540-R543 WeakPolarHBondContact O-CA 3.48Å; E540-R543 PolarHBondContact O-N 3.45Å; E540-R543 IonicContact OE1-NH2 3.25Å; E540-E544 PolarHBondContact O-N 3.02Å |
| 541 | L | 94.4 | Very high | 91.9 | Very high | 86 Ų | 86 | 93.2 Ų | 93.2 | 45% | 0.45 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.1 | -38.4 | 173 | -178.6 | 63.8 | 0 | 0 | 0 | 112.3 | S537 E538 E544 K545 | S537-L541 WeakPolarHBondContact O-CB 3.44Å; S537-L541 PolarHBondContact O-N 3.18Å; E538-L541 PolarHBondContact O-N 3.05Å; L541-E544 PolarHBondContact O-N 3.25Å; L541-K545 WeakPolarHBondContact O-CB 3.25Å; L541-K545 WeakPolarHBondContact O-CG 3.31Å; L541-K545 PolarHBondContact O-N 3.04Å |
| 542 | L | 92.5 | Very high | 91.3 | Very high | 105 Ų | 105 | 95.3 Ų | 95.3 | 55% | 0.55 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.6 | -39 | 172.6 | -75.1 | 170.4 | 0 | 0 | 0 | 111.6 | E538 E540 K545 V546 | E538-L542 WeakPolarHBondContact O-CB 3.43Å; E538-L542 VanDerWaalsContact O-CG 3.26Å; E538-L542 WeakPolarHBondContact O-CG 3.5Å; E538-L542 PolarHBondContact O-N 2.59Å; E540-L542 VanDerWaalsContact C-N 3.29Å; E540-L542 PolarHBondContact O-N 3.22Å; L542-K545 HydrophobicContact CD2-CD 4.5Å; L542-K545 PolarHBondContact O-N 2.85Å; L542-V546 WeakPolarHBondContact O-CB 3.28Å; L542-V546 VanDerWaalsContact O-CG2 3.31Å; L542-V546 WeakPolarHBondContact O-CG2 3.28Å; L542-V546 PolarHBondContact O-N 3.13Å |
| 543 | R | 92.8 | Very high | 90.2 | Very high | 148 Ų | 148 | 93.8 Ų | 93.8 | 56% | 0.558 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -66.2 | -34.2 | 172.7 | -88 | 178 | -79.3 | 119 | -6.1 | 113 | A539 E540 G547 | A539-R543 WeakPolarHBondContact O-CB 3.33Å; A539-R543 WeakPolarHBondContact O-CG 3.44Å; A539-R543 PolarHBondContact O-N 3.4Å; A539-R543 PolarHBondContact O-NE 2.97Å; A539-R543 VanDerWaalsContact O-NE 3.16Å; E540-R543 CarbonylContact O-C 3.55Å; E540-R543 WeakPolarHBondContact O-CA 3.48Å; E540-R543 PolarHBondContact O-N 3.45Å; E540-R543 IonicContact OE1-NH2 3.25Å; R543-G547 PolarHBondContact O-N 3.35Å |
| 544 | E | 92.1 | Very high | 89 | Confident | 110 Ų | 110 | 91.1 Ų | 91.1 | 51% | 0.514 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -70.1 | -36.6 | 170.2 | -64.3 | -173.7 | 179.8 | 0 | 0 | 112.6 | E540 L541 G547 R548 | E540-E544 PolarHBondContact O-N 3.02Å; L541-E544 PolarHBondContact O-N 3.25Å; E544-G547 PolarHBondContact O-N 2.94Å; E544-R548 WeakPolarHBondContact O-CB 3.47Å; E544-R548 WeakPolarHBondContact O-CG 3.23Å; E544-R548 PolarHBondContact O-N 2.87Å; E544-R548 PolarHBondContact O-NE 3.3Å; E544-R548 IonicContact OE2-CZ 3.65Å; E544-R548 IonicContact OE2-NH1 3.84Å; E544-R548 PolarHBondContact OE2-NH1 3.28Å; E544-R548 IonicContact OE2-NH2 2.68Å; E544-R548 PolarHBondContact OE2-NH2 3.32Å |
| 545 | K | 92.6 | Very high | 87.6 | Confident | 104 Ų | 104 | 92.8 Ų | 92.8 | 45% | 0.452 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 174.7 | -78 | 174.1 | 178.4 | 179.9 | 0 | 110.8 | L541 L542 R548 L549 | L541-K545 WeakPolarHBondContact O-CB 3.25Å; L541-K545 WeakPolarHBondContact O-CG 3.31Å; L541-K545 PolarHBondContact O-N 3.04Å; L542-K545 HydrophobicContact CD2-CD 4.5Å; L542-K545 PolarHBondContact O-N 2.85Å; K545-R548 PolarHBondContact O-N 3.07Å; K545-L549 VanDerWaalsContact O-CB 3.31Å; K545-L549 WeakPolarHBondContact O-CB 3.4Å; K545-L549 VanDerWaalsContact O-CG 3.24Å; K545-L549 WeakPolarHBondContact O-CG 3.32Å; K545-L549 PolarHBondContact O-N 3.33Å |
| 546 | V | 89.4 | Confident | 86 | Confident | 69 Ų | 69 | 90.6 Ų | 90.6 | 42% | 0.418 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62 | -47.3 | 172.1 | 170.3 | 0 | 0 | 0 | 0 | 109.8 | L542 R548 L549 E550 | L542-V546 WeakPolarHBondContact O-CB 3.28Å; L542-V546 VanDerWaalsContact O-CG2 3.31Å; L542-V546 WeakPolarHBondContact O-CG2 3.28Å; L542-V546 PolarHBondContact O-N 3.13Å; V546-R548 VanDerWaalsContact C-N 3.31Å; V546-R548 PolarHBondContact O-N 3.33Å; V546-L549 CarbonylContact O-C 3.51Å; V546-L549 WeakPolarHBondContact O-CA 3.5Å; V546-L549 PolarHBondContact O-N 3.08Å; V546-L549 VanDerWaalsContact O-N 3.1Å; V546-E550 HydrophobicContact CG1-CG 3.9Å; V546-E550 WeakPolarHBondContact O-CA 3.42Å; V546-E550 WeakPolarHBondContact O-CB 3.32Å; V546-E550 VanDerWaalsContact O-CG 3.28Å; V546-E550 WeakPolarHBondContact O-CG 3.36Å; V546-E550 PolarHBondContact O-N 3.48Å |
| 547 | G | 87.3 | Confident | 84 | Confident | 37 Ų | 37 | 92.2 Ų | 92.2 | 38% | 0.381 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.2 | -35.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R543 E544 G551 | R543-G547 PolarHBondContact O-N 3.35Å; E544-G547 PolarHBondContact O-N 2.94Å; G547-G551 PolarHBondContact O-N 2.93Å |
| 548 | R | 88.3 | Confident | 81.9 | Confident | 131 Ų | 131 | 96.3 Ų | 96.3 | 49% | 0.494 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.8 | -50.5 | 169.6 | -80.2 | 175 | -78.7 | -125.3 | 0.7 | 111.3 | E544 K545 V546 E550 G551 E552 | E544-R548 WeakPolarHBondContact O-CB 3.47Å; E544-R548 WeakPolarHBondContact O-CG 3.23Å; E544-R548 PolarHBondContact O-N 2.87Å; E544-R548 PolarHBondContact O-NE 3.3Å; E544-R548 IonicContact OE2-CZ 3.65Å; E544-R548 IonicContact OE2-NH1 3.84Å; E544-R548 PolarHBondContact OE2-NH1 3.28Å; E544-R548 IonicContact OE2-NH2 2.68Å; E544-R548 PolarHBondContact OE2-NH2 3.32Å; K545-R548 PolarHBondContact O-N 3.07Å; V546-R548 VanDerWaalsContact C-N 3.31Å; V546-R548 PolarHBondContact O-N 3.33Å; R548-E550 PolarHBondContact O-N 3.39Å; R548-G551 PolarHBondContact O-N 3.47Å; R548-G551 VanDerWaalsContact O-N 3.11Å; R548-E552 WeakPolarHBondContact O-CB 3.48Å; R548-E552 WeakPolarHBondContact O-CG 3.4Å; R548-E552 PolarHBondContact O-N 3.46Å |
| 549 | L | 86.2 | Confident | 79.8 | Confident | 94 Ų | 94 | 96.7 Ų | 96.7 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -19.9 | 174.8 | -70.7 | 168.6 | 0 | 0 | 0 | 113.4 | K545 V546 L553 | K545-L549 VanDerWaalsContact O-CB 3.31Å; K545-L549 WeakPolarHBondContact O-CB 3.4Å; K545-L549 VanDerWaalsContact O-CG 3.24Å; K545-L549 WeakPolarHBondContact O-CG 3.32Å; K545-L549 PolarHBondContact O-N 3.33Å; V546-L549 CarbonylContact O-C 3.51Å; V546-L549 WeakPolarHBondContact O-CA 3.5Å; V546-L549 PolarHBondContact O-N 3.08Å; V546-L549 VanDerWaalsContact O-N 3.1Å; L549-L553 WeakPolarHBondContact O-CA 3.48Å; L549-L553 WeakPolarHBondContact O-CB 3.37Å; L549-L553 WeakPolarHBondContact O-CG 3.39Å; L549-L553 PolarHBondContact O-N 3.04Å |
| 550 | E | 85.8 | Confident | 77.3 | Confident | 120 Ų | 120 | 99.4 Ų | 99.4 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -90 | -28.9 | 174.9 | -79.3 | -177.7 | 149.3 | 0 | 0 | 111.8 | V546 R548 L553 A554 | V546-E550 HydrophobicContact CG1-CG 3.9Å; V546-E550 WeakPolarHBondContact O-CA 3.42Å; V546-E550 WeakPolarHBondContact O-CB 3.32Å; V546-E550 VanDerWaalsContact O-CG 3.28Å; V546-E550 WeakPolarHBondContact O-CG 3.36Å; V546-E550 PolarHBondContact O-N 3.48Å; R548-E550 PolarHBondContact O-N 3.39Å; E550-L553 CarbonylContact O-C 3.54Å; E550-A554 WeakPolarHBondContact O-CA 3.35Å; E550-A554 WeakPolarHBondContact O-CB 3.4Å; E550-A554 PolarHBondContact O-N 2.97Å |
| 551 | G | 82 | Confident | 74.7 | Confident | 43 Ų | 43 | 100 Ų | 100 | 44% | 0.443 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | G547 R548 A554 H555 | G547-G551 PolarHBondContact O-N 2.93Å; R548-G551 PolarHBondContact O-N 3.47Å; R548-G551 VanDerWaalsContact O-N 3.11Å; G551-A554 PolarHBondContact O-N 3.4Å; G551-H555 WeakPolarHBondContact O-CB 3.28Å; G551-H555 PolarHBondContact O-N 2.91Å |
| 552 | E | 82.6 | Confident | 72.2 | Confident | 109 Ų | 109 | 100.9 Ų | 100.9 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 171.4 | -68.4 | 166.7 | -148 | 0 | 0 | 111.4 | R548 L556 | R548-E552 WeakPolarHBondContact O-CB 3.48Å; R548-E552 WeakPolarHBondContact O-CG 3.4Å; R548-E552 PolarHBondContact O-N 3.46Å; E552-L556 WeakPolarHBondContact O-CA 3.49Å; E552-L556 WeakPolarHBondContact O-CB 3.28Å; E552-L556 WeakPolarHBondContact O-CG 3.41Å; E552-L556 PolarHBondContact O-N 3.3Å |
| 553 | L | 73.3 | Confident | 69.8 | Low | 89 Ų | 89 | 104.2 Ų | 104.2 | 47% | 0.466 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -76.8 | -16.5 | 173.1 | -87.7 | 166.2 | 0 | 0 | 0 | 113.9 | L549 E550 L556 K557 | L549-L553 WeakPolarHBondContact O-CA 3.48Å; L549-L553 WeakPolarHBondContact O-CB 3.37Å; L549-L553 WeakPolarHBondContact O-CG 3.39Å; L549-L553 PolarHBondContact O-N 3.04Å; E550-L553 CarbonylContact O-C 3.54Å; L553-L556 HydrophobicContact CD2-CB 4.49Å; L553-K557 WeakPolarHBondContact O-CA 3.46Å; L553-K557 WeakPolarHBondContact O-CB 3.14Å; L553-K557 WeakPolarHBondContact O-CG 3.24Å; L553-K557 PolarHBondContact O-N 3.03Å |
| 554 | A | 70.8 | Confident | 66.8 | Low | 58 Ų | 58 | 100.8 Ų | 100.8 | 48% | 0.479 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -78.5 | -47.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | E550 G551 L556 K557 D558 | E550-A554 WeakPolarHBondContact O-CA 3.35Å; E550-A554 WeakPolarHBondContact O-CB 3.4Å; E550-A554 PolarHBondContact O-N 2.97Å; G551-A554 PolarHBondContact O-N 3.4Å; A554-L556 VanDerWaalsContact C-N 3.26Å; A554-L556 PolarHBondContact O-N 2.98Å; A554-K557 CarbonylContact O-C 3.54Å; A554-K557 PolarHBondContact O-N 3.21Å; A554-D558 WeakPolarHBondContact O-CB 3.35Å; A554-D558 PolarHBondContact O-N 3.46Å |
| 555 | H | 66.8 | Low | 64.5 | Low | 141 Ų | 141 | 102.1 Ų | 102.1 | 65% | 0.653 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -58.1 | -38.9 | 169.5 | -175.2 | -67.7 | 0 | 0 | 0 | 111.7 | G551 T559 | G551-H555 WeakPolarHBondContact O-CB 3.28Å; G551-H555 PolarHBondContact O-N 2.91Å; H555-T559 PolarHBondContact O-N 3.4Å; H555-T559 PolarHBondContact O-OG1 3.05Å |
| 556 | L | 61 | Low | 61.6 | Low | 94 Ų | 94 | 100.8 Ų | 100.8 | 49% | 0.492 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -78.3 | -22.4 | 173.8 | -69.4 | 165.8 | 0 | 0 | 0 | 112.8 | E552 L553 A554 T559 L560 | E552-L556 WeakPolarHBondContact O-CA 3.49Å; E552-L556 WeakPolarHBondContact O-CB 3.28Å; E552-L556 WeakPolarHBondContact O-CG 3.41Å; E552-L556 PolarHBondContact O-N 3.3Å; L553-L556 HydrophobicContact CD2-CB 4.49Å; A554-L556 VanDerWaalsContact C-N 3.26Å; A554-L556 PolarHBondContact O-N 2.98Å; L556-T559 WeakPolarHBondContact CA-OG1 3.28Å; L556-T559 CarbonylContact O-C 3.49Å; L556-T559 PolarHBondContact O-OG1 2.89Å; L556-T559 VanDerWaalsContact O-OG1 3.07Å; L556-L560 VanDerWaalsContact O-CA 3.26Å; L556-L560 WeakPolarHBondContact O-CA 3.39Å; L556-L560 WeakPolarHBondContact O-CB 3.26Å; L556-L560 PolarHBondContact O-N 3.02Å |
| 557 | K | 53.7 | Low | 58.9 | Low | 138 Ų | 138 | 103.7 Ų | 103.7 | 60% | 0.6 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -86.6 | -24.1 | 172 | -85 | 176.1 | 175.8 | 175.9 | 0 | 113.8 | L553 A554 T559 L560 A561 | L553-K557 WeakPolarHBondContact O-CA 3.46Å; L553-K557 WeakPolarHBondContact O-CB 3.14Å; L553-K557 WeakPolarHBondContact O-CG 3.24Å; L553-K557 PolarHBondContact O-N 3.03Å; A554-K557 CarbonylContact O-C 3.54Å; A554-K557 PolarHBondContact O-N 3.21Å; K557-T559 PolarHBondContact O-N 2.98Å; K557-L560 CarbonylContact O-C 3.35Å; K557-L560 PolarHBondContact O-N 3.15Å; K557-A561 PolarHBondContact O-N 2.98Å |
| 558 | D | 52.3 | Low | 56.9 | Low | 149 Ų | 149 | 111.9 Ų | 111.9 | 80% | 0.797 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.2 | -28 | 166.5 | -154.4 | 46.5 | 0 | 0 | 0 | 109.8 | A554 | A554-D558 WeakPolarHBondContact O-CB 3.35Å; A554-D558 PolarHBondContact O-N 3.46Å |
| 559 | T | 49.2 | Very low | 54.1 | Low | 87 Ų | 87 | 112.9 Ų | 112.9 | 53% | 0.534 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -95.7 | -21.6 | 169.1 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | H555 L556 K557 N562 | H555-T559 PolarHBondContact O-N 3.4Å; H555-T559 PolarHBondContact O-OG1 3.05Å; L556-T559 WeakPolarHBondContact CA-OG1 3.28Å; L556-T559 CarbonylContact O-C 3.49Å; L556-T559 PolarHBondContact O-OG1 2.89Å; L556-T559 VanDerWaalsContact O-OG1 3.07Å; K557-T559 PolarHBondContact O-N 2.98Å; T559-N562 PolarHBondContact O-ND2 3.43Å |
| 560 | L | 36.3 | Very low | 51.5 | Low | 96 Ų | 96 | 113.2 Ų | 113.2 | 50% | 0.503 | 64% | 0.644 | S | S | . | * | trans | -118.7 | 43.5 | -179 | -156.7 | 82.7 | 0 | 0 | 0 | 112.5 | L556 K557 N562 | L556-L560 VanDerWaalsContact O-CA 3.26Å; L556-L560 WeakPolarHBondContact O-CA 3.39Å; L556-L560 WeakPolarHBondContact O-CB 3.26Å; L556-L560 PolarHBondContact O-N 3.02Å; K557-L560 CarbonylContact O-C 3.35Å; K557-L560 PolarHBondContact O-N 3.15Å; L560-N562 WeakPolarHBondContact CD1-O 3.45Å; L560-N562 WeakPolarHBondContact CG-O 3.34Å; L560-N562 PolarHBondContact O-N 2.78Å | ||
| 561 | A | 40 | Very low | 49 | Very low | 92 Ų | 92 | 115.6 Ų | 115.6 | 76% | 0.76 | 66% | 0.655 | S | S | * | * | trans | -61.9 | -4.6 | 146.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K557 | K557-A561 PolarHBondContact O-N 2.98Š| ||
| 562 | N | 40.7 | Very low | 46.8 | Very low | 105 Ų | 105 | 119 Ų | 119 | 56% | 0.561 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -96.3 | 87.8 | 172.8 | -60.5 | -66 | 0 | 0 | 0 | 112.6 | T559 L560 | T559-N562 PolarHBondContact O-ND2 3.43Å; L560-N562 WeakPolarHBondContact CD1-O 3.45Å; L560-N562 WeakPolarHBondContact CG-O 3.34Å; L560-N562 PolarHBondContact O-N 2.78Å |
| 563 | Q | 42 | Very low | 44.3 | Very low | 174 Ų | 174 | 121.5 Ų | 121.5 | 81% | 0.813 | 68% | 0.676 | S | S | * | * | trans | 80.1 | 145.3 | 151.9 | -45.9 | 166.8 | 44.9 | 0 | 0 | 120.9 | ||||
| 564 | G | 29.9 | Very low | 42.7 | Very low | 76 Ų | 76 | 123.4 Ų | 123.4 | 78% | 0.784 | 68% | 0.683 | S | S | * | * | trans | 110.5 | 119.2 | 140 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 565 | P | 44.4 | Very low | 41.1 | Very low | 138 Ų | 138 | 128 Ų | 128 | 90% | 0.896 | 70% | 0.695 | S | S | * | * | trans | -130.9 | 161.7 | -179.1 | 41.5 | -28.6 | 0 | 0 | 0 | 118.7 | ||||
| 566 | G | 31.9 | Very low | 39.8 | Very low | 77 Ų | 77 | 125.4 Ų | 125.4 | 79% | 0.794 | 70% | 0.698 | S | S | * | * | trans | 117.3 | 165.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 567 | N | 33.4 | Very low | 38.7 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | cis | -174.5 | 150 | -14.8 | -155.9 | 2.2 | 0 | 0 | 0 | 112.8 | ||||
| 568 | R | 43.7 | Very low | 38.1 | Very low | 208 Ų | 208 | 132.2 Ų | 132.2 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | 65.7 | 163.4 | 157.8 | -74.1 | 169.2 | -170.9 | 174.4 | 1.3 | 121.2 | ||||
| 569 | Q | 30.9 | Very low | 37.2 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 72% | 0.715 | 73% | 0.732 | S | S | * | * | cis | -177 | 166.8 | -25.9 | -165.7 | -180 | -25.5 | 0 | 0 | 113.1 | ||||
| 570 | C | 30.6 | Very low | 36.6 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | trans | 82.5 | 165.5 | 158.7 | -69.8 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 571 | Q | 33.9 | Very low | 36.9 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | cis | -178.7 | 175.3 | -44.1 | -149.1 | 172.6 | 4.4 | 0 | 0 | 113.6 | ||||
| 572 | V | 35.7 | Very low | 36.8 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | trans | 103.4 | 128.9 | 143.5 | 158.5 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 573 | F | 30.8 | Very low | 37 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | trans | 60.8 | 155 | 150 | -81.1 | -130.8 | 0 | 0 | 0 | 123.7 | ||||
| 574 | Q | 38.7 | Very low | 36.7 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 61% | 0.607 | 77% | 0.773 | S | S | * | * | cis | 101.9 | 150 | 10 | -62.6 | 163.2 | -104.9 | 0 | 0 | 116.3 | ||||
| 575 | E | 38 | Very low | 37.5 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | cis | -163.6 | -162.4 | 11.3 | -143.5 | 75.9 | -74.3 | 0 | 0 | 114.3 | ||||
| 576 | A | 38 | Very low | 37.8 | Very low | 86 Ų | 86 | 145.6 Ų | 145.6 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | 88.4 | 162.5 | 163 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 577 | E | 38.9 | Very low | 39.1 | Very low | 193 Ų | 193 | 148 Ų | 148 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | cis | -164.7 | -170.1 | -10.1 | -151.6 | 129.4 | -86 | 0 | 0 | 114 | ||||
| 578 | E | 40.5 | Very low | 40.1 | Very low | 181 Ų | 181 | 145 Ų | 145 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | -132.6 | 166.7 | -177.4 | -78 | -167.3 | 126.1 | 0 | 0 | 116 | ||||
| 579 | H | 33.9 | Very low | 40.6 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 88% | 0.875 | 74% | 0.735 | S | S | * | * | trans | -164.8 | -172.1 | 143.6 | -115.4 | -20.5 | 0 | 0 | 0 | 118 | ||||
| 580 | L | 37 | Very low | 41.9 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | -158 | 146.5 | -128.6 | -176.4 | 64.3 | 0 | 0 | 0 | 118.8 | |||||
| 581 | L | 42.3 | Very low | 43.3 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | trans | 66 | 170.4 | 160 | -80.3 | 168.7 | 0 | 0 | 0 | 119.8 | ||||
| 582 | A | 36.4 | Very low | 44.5 | Very low | 93 Ų | 93 | 142.3 Ų | 142.3 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | cis | -149.8 | -175.2 | 4.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 583 | Y | 45.2 | Very low | 45.7 | Very low | 215 Ų | 215 | 143 Ų | 143 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | trans | -162.9 | 151.6 | -177.3 | 145.6 | -81 | 0 | 0 | 0 | 114.9 | ||||
| 584 | E | 36.3 | Very low | 47.5 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 85% | 0.85 | 71% | 0.708 | S | S | * | * | trans | -159.6 | 158.9 | 168.7 | -142 | 178.4 | -133.4 | 0 | 0 | 118.3 | ||||
| 585 | S | 46.9 | Very low | 49 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | trans | 78.4 | 91 | 156.5 | -176.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 586 | D | 51.5 | Low | 50.7 | Low | 117 Ų | 117 | 131.2 Ų | 131.2 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | trans | -148.2 | -3.6 | 142.9 | -157.1 | 22.8 | 0 | 0 | 0 | 115.3 | A588 | D586-A588 VanDerWaalsContact C-N 3.25Å; D586-A588 PolarHBondContact O-N 2.92Å; D586-A588 VanDerWaalsContact O-N 3.07Å | ||
| 587 | E | 58.8 | Low | 52.5 | Low | 128 Ų | 128 | 133.2 Ų | 133.2 | 60% | 0.598 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -64.7 | -21.3 | -168.5 | -147.7 | -158.7 | 131.8 | 0 | 0 | 115.3 | K589 R591 | E587-K589 VanDerWaalsContact C-N 3.32Å; E587-K589 PolarHBondContact O-N 3.49Å; E587-R591 IonicContact OE1-CZ 3.59Å; E587-R591 IonicContact OE1-NE 3.76Å; E587-R591 PolarHBondContact OE1-NE 2.99Å; E587-R591 IonicContact OE1-NH2 3.83Å; E587-R591 PolarHBondContact OE1-NH2 3.48Å |
| 588 | A | 53.3 | Low | 54.5 | Low | 67 Ų | 67 | 127 Ų | 127 | 55% | 0.554 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -75.2 | -10.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D586 R592 | D586-A588 VanDerWaalsContact C-N 3.25Å; D586-A588 PolarHBondContact O-N 2.92Å; D586-A588 VanDerWaalsContact O-N 3.07Å; A588-R592 PolarHBondContact O-NH1 3.48Å |
| 589 | K | 55.2 | Low | 56.5 | Low | 151 Ų | 151 | 124.5 Ų | 124.5 | 66% | 0.657 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -89.4 | -46.9 | 175.8 | -73.4 | 173 | -175.9 | 158.8 | 0 | 112.3 | E587 R591 R592 | E587-K589 VanDerWaalsContact C-N 3.32Å; E587-K589 PolarHBondContact O-N 3.49Å; K589-R591 VanDerWaalsContact C-N 3.28Å; K589-R591 PolarHBondContact O-N 2.9Å; K589-R592 PolarHBondContact O-N 3.35Å |
| 590 | A | 58.7 | Low | 58.7 | Low | 68 Ų | 68 | 122.7 Ų | 122.7 | 56% | 0.562 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -54.2 | -40.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R592 Q593 S594 | A590-R592 PolarHBondContact O-N 3.04Å; A590-R592 VanDerWaalsContact O-N 3.16Å; A590-Q593 PolarHBondContact O-N 3.24Å; A590-S594 PolarHBondContact O-N 3.01Å |
| 591 | R | 59.3 | Low | 61.1 | Low | 176 Ų | 176 | 117.8 Ų | 117.8 | 66% | 0.664 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60.5 | -24.6 | -179.8 | -64.7 | -172.4 | -179.2 | -154.5 | 3.8 | 114.1 | E587 K589 S595 | E587-R591 IonicContact OE1-CZ 3.59Å; E587-R591 IonicContact OE1-NE 3.76Å; E587-R591 PolarHBondContact OE1-NE 2.99Å; E587-R591 IonicContact OE1-NH2 3.83Å; E587-R591 PolarHBondContact OE1-NH2 3.48Å; K589-R591 VanDerWaalsContact C-N 3.28Å; K589-R591 PolarHBondContact O-N 2.9Å; R591-S595 PolarHBondContact O-N 3.21Å |
| 592 | R | 58.8 | Low | 63.2 | Low | 180 Ų | 180 | 116 Ų | 116 | 68% | 0.679 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -80.6 | -44.2 | 178.2 | -69.8 | -175.7 | 176.7 | 90.3 | -7.5 | 112.3 | A588 K589 A590 S595 A596 | A588-R592 PolarHBondContact O-NH1 3.48Å; K589-R592 PolarHBondContact O-N 3.35Å; A590-R592 PolarHBondContact O-N 3.04Å; A590-R592 VanDerWaalsContact O-N 3.16Å; R592-S595 PolarHBondContact O-N 3.33Å; R592-S595 PolarHBondContact O-OG 2.86Å; R592-A596 PolarHBondContact O-N 3.49Å |
| 593 | Q | 60.4 | Low | 65.6 | Low | 131 Ų | 131 | 118.4 Ų | 118.4 | 61% | 0.612 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -55.7 | -52.9 | 174.2 | -131.5 | 91.2 | 3.4 | 0 | 0 | 110.6 | A590 S595 A596 E597 | A590-Q593 PolarHBondContact O-N 3.24Å; Q593-S595 VanDerWaalsContact C-N 3.27Å; Q593-S595 PolarHBondContact O-N 2.9Å; Q593-A596 PolarHBondContact O-N 2.89Å; Q593-E597 PolarHBondContact O-N 3.48Å; Q593-E597 VanDerWaalsContact O-N 3.16Å |
| 594 | S | 68.4 | Low | 67.7 | Low | 70 Ų | 70 | 111.1 Ų | 111.1 | 49% | 0.49 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -56.8 | -36.8 | -179.2 | 175.4 | 0 | 0 | 0 | 0 | 113.1 | A590 A596 E597 A598 | A590-S594 PolarHBondContact O-N 3.01Å; S594-A596 PolarHBondContact O-N 2.85Å; S594-E597 PolarHBondContact O-N 3.35Å; S594-A598 VanDerWaalsContact O-CB 3.3Å; S594-A598 WeakPolarHBondContact O-CB 3.42Å; S594-A598 PolarHBondContact O-N 3.49Å |
| 595 | S | 72.2 | Confident | 70.3 | Confident | 68 Ų | 68 | 108.8 Ų | 108.8 | 48% | 0.476 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.3 | -33.4 | 178.4 | 73.9 | 0 | 0 | 0 | 0 | 113.7 | R591 R592 Q593 L599 | R591-S595 PolarHBondContact O-N 3.21Å; R592-S595 PolarHBondContact O-N 3.33Å; R592-S595 PolarHBondContact O-OG 2.86Å; Q593-S595 VanDerWaalsContact C-N 3.27Å; Q593-S595 PolarHBondContact O-N 2.9Å; S595-L599 PolarHBondContact O-N 2.99Å |
| 596 | A | 71.6 | Confident | 72.3 | Confident | 58 Ų | 58 | 108.7 Ų | 108.7 | 48% | 0.479 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -75.1 | -41.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | R592 Q593 S594 L599 Q600 | R592-A596 PolarHBondContact O-N 3.49Å; Q593-A596 PolarHBondContact O-N 2.89Å; S594-A596 PolarHBondContact O-N 2.85Å; A596-L599 PolarHBondContact O-N 3.49Å; A596-Q600 PolarHBondContact O-N 2.9Å |
| 597 | E | 77.6 | Confident | 74.2 | Confident | 129 Ų | 129 | 109.2 Ų | 109.2 | 60% | 0.603 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.3 | -41.8 | 174.8 | -69.1 | 165.8 | -176.4 | 0 | 0 | 111.5 | Q593 S594 Q600 G601 | Q593-E597 PolarHBondContact O-N 3.48Å; Q593-E597 VanDerWaalsContact O-N 3.16Å; S594-E597 PolarHBondContact O-N 3.35Å; E597-Q600 PolarHBondContact O-N 3.37Å; E597-G601 PolarHBondContact O-N 3.13Å |
| 598 | A | 79.9 | Confident | 75.8 | Confident | 62 Ų | 62 | 104.8 Ų | 104.8 | 51% | 0.512 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.2 | -42 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S594 G601 M602 | S594-A598 VanDerWaalsContact O-CB 3.3Å; S594-A598 WeakPolarHBondContact O-CB 3.42Å; S594-A598 PolarHBondContact O-N 3.49Å; A598-G601 PolarHBondContact O-N 3.49Å; A598-M602 WeakPolarHBondContact O-CB 3.05Å; A598-M602 PolarHBondContact O-N 3.39Å |
| 599 | L | 82.1 | Confident | 77.7 | Confident | 129 Ų | 129 | 106.9 Ų | 106.9 | 68% | 0.675 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.3 | -39.1 | 174 | -95.9 | 161.3 | 0 | 0 | 0 | 112.4 | S595 A596 K603 | S595-L599 PolarHBondContact O-N 2.99Å; A596-L599 PolarHBondContact O-N 3.49Å; L599-K603 WeakPolarHBondContact O-CB 3.32Å; L599-K603 PolarHBondContact O-N 2.83Å |
| 600 | Q | 81.3 | Confident | 79.5 | Confident | 151 Ų | 151 | 105.8 Ų | 105.8 | 71% | 0.706 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.8 | -37.7 | 177.8 | -169.9 | 162.8 | -10.1 | 0 | 0 | 112 | A596 E597 K603 A604 | A596-Q600 PolarHBondContact O-N 2.9Å; E597-Q600 PolarHBondContact O-N 3.37Å; Q600-K603 PolarHBondContact O-N 3.24Å; Q600-A604 PolarHBondContact O-N 3.4Å |
| 601 | G | 86.7 | Confident | 81 | Confident | 34 Ų | 34 | 106.2 Ų | 106.2 | 35% | 0.351 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.5 | -45.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E597 A598 K603 A604 Q605 | E597-G601 PolarHBondContact O-N 3.13Å; A598-G601 PolarHBondContact O-N 3.49Å; G601-K603 VanDerWaalsContact C-N 3.3Å; G601-K603 PolarHBondContact O-N 3.29Å; G601-A604 PolarHBondContact O-N 2.89Å; G601-Q605 WeakPolarHBondContact O-CG 3.34Å; G601-Q605 PolarHBondContact O-N 3.26Å |
| 602 | M | 87 | Confident | 82.6 | Confident | 122 Ų | 122 | 103.8 Ų | 103.8 | 60% | 0.601 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.4 | -40.2 | 174 | -170.3 | 87.8 | 85.7 | 0 | 0 | 111.6 | A598 Q605 M606 | A598-M602 WeakPolarHBondContact O-CB 3.05Å; A598-M602 PolarHBondContact O-N 3.39Å; M602-Q605 PolarHBondContact O-N 2.85Å; M602-M606 WeakPolarHBondContact O-CB 3.41Å; M602-M606 PolarHBondContact O-N 3.46Å |
| 603 | K | 86.3 | Confident | 84.2 | Confident | 144 Ų | 144 | 99.7 Ų | 99.7 | 63% | 0.626 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64 | -44.8 | 175.5 | -172.4 | -176.9 | 175.6 | -171.4 | 0 | 111.7 | L599 Q600 G601 M606 E607 | L599-K603 WeakPolarHBondContact O-CB 3.32Å; L599-K603 PolarHBondContact O-N 2.83Å; Q600-K603 PolarHBondContact O-N 3.24Å; G601-K603 VanDerWaalsContact C-N 3.3Å; G601-K603 PolarHBondContact O-N 3.29Å; K603-M606 PolarHBondContact O-N 2.92Å; K603-E607 WeakPolarHBondContact O-CB 3.33Å; K603-E607 PolarHBondContact O-N 3.31Å |
| 604 | A | 88.6 | Confident | 85.8 | Confident | 62 Ų | 62 | 96.2 Ų | 96.2 | 51% | 0.512 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q600 G601 E607 G608 | Q600-A604 PolarHBondContact O-N 3.4Å; G601-A604 PolarHBondContact O-N 2.89Å; A604-E607 PolarHBondContact O-N 2.91Å; A604-G608 PolarHBondContact O-N 2.87Å |
| 605 | Q | 90.9 | Very high | 87.1 | Confident | 132 Ų | 132 | 99.4 Ų | 99.4 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.7 | -43.3 | 172.6 | -72.9 | 179.5 | -1.3 | 0 | 0 | 112 | G601 M602 E607 G608 L609 | G601-Q605 WeakPolarHBondContact O-CG 3.34Å; G601-Q605 PolarHBondContact O-N 3.26Å; M602-Q605 PolarHBondContact O-N 2.85Å; Q605-E607 VanDerWaalsContact C-N 3.27Å; Q605-E607 PolarHBondContact O-N 2.93Å; Q605-G608 PolarHBondContact O-N 3.29Å; Q605-L609 WeakPolarHBondContact O-CG 3.39Å; Q605-L609 PolarHBondContact O-N 2.95Å |
| 606 | M | 89.6 | Confident | 88.1 | Confident | 104 Ų | 104 | 100 Ų | 100 | 51% | 0.512 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.8 | -32.7 | 175.4 | -172.3 | -172.8 | -67.8 | 0 | 0 | 112.4 | M602 K603 K610 | M602-M606 WeakPolarHBondContact O-CB 3.41Å; M602-M606 PolarHBondContact O-N 3.46Å; K603-M606 PolarHBondContact O-N 2.92Å; M606-K610 HydrophobicContact CG-CD 4.4Å; M606-K610 WeakPolarHBondContact O-CB 3.26Å; M606-K610 WeakPolarHBondContact O-CD 3.31Å; M606-K610 WeakPolarHBondContact O-CG 3.45Å; M606-K610 PolarHBondContact O-N 3.34Å; M606-K610 VanDerWaalsContact O-N 3.08Å; M606-K610 PolarHBondContact SD-NZ 2.98Å |
| 607 | E | 91 | Very high | 89.2 | Confident | 127 Ų | 127 | 105.5 Ų | 105.5 | 59% | 0.593 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -73.7 | -38.6 | 176.5 | -166.6 | 157.4 | -168.7 | 0 | 0 | 111.9 | K603 A604 Q605 K610 S611 | K603-E607 WeakPolarHBondContact O-CB 3.33Å; K603-E607 PolarHBondContact O-N 3.31Å; A604-E607 PolarHBondContact O-N 2.91Å; Q605-E607 VanDerWaalsContact C-N 3.27Å; Q605-E607 PolarHBondContact O-N 2.93Å; E607-K610 PolarHBondContact O-N 3.32Å; E607-S611 PolarHBondContact O-N 3.37Å |
| 608 | G | 92.9 | Very high | 90.1 | Very high | 35 Ų | 35 | 105.1 Ų | 105.1 | 36% | 0.361 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61 | -49 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113 | A604 Q605 K610 S611 E612 | A604-G608 PolarHBondContact O-N 2.87Å; Q605-G608 PolarHBondContact O-N 3.29Å; G608-K610 PolarHBondContact O-N 2.91Å; G608-S611 PolarHBondContact O-N 3.01Å; G608-S611 VanDerWaalsContact O-N 3.11Å; G608-S611 PolarHBondContact O-OG 3.41Å; G608-E612 WeakPolarHBondContact O-CB 3.27Å; G608-E612 PolarHBondContact O-N 2.88Å |
| 609 | L | 93.2 | Very high | 90.8 | Very high | 112 Ų | 112 | 105.9 Ų | 105.9 | 59% | 0.586 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.5 | -29.4 | 176.5 | -71.2 | 169.5 | 0 | 0 | 0 | 112.6 | Q605 L613 | Q605-L609 WeakPolarHBondContact O-CG 3.39Å; Q605-L609 PolarHBondContact O-N 2.95Å; L609-L613 VanDerWaalsContact O-CB 3.24Å; L609-L613 WeakPolarHBondContact O-CB 3.49Å; L609-L613 PolarHBondContact O-N 3.39Å |
| 610 | K | 92.6 | Very high | 91.4 | Very high | 127 Ų | 127 | 103.6 Ų | 103.6 | 55% | 0.552 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.9 | -38.8 | 172.9 | -78.9 | 166.7 | -177.8 | 169.3 | 0 | 112.6 | M606 E607 G608 A614 | M606-K610 HydrophobicContact CG-CD 4.4Å; M606-K610 WeakPolarHBondContact O-CB 3.26Å; M606-K610 WeakPolarHBondContact O-CD 3.31Å; M606-K610 WeakPolarHBondContact O-CG 3.45Å; M606-K610 PolarHBondContact O-N 3.34Å; M606-K610 VanDerWaalsContact O-N 3.08Å; M606-K610 PolarHBondContact SD-NZ 2.98Å; E607-K610 PolarHBondContact O-N 3.32Å; G608-K610 PolarHBondContact O-N 2.91Å; K610-A614 WeakPolarHBondContact O-CB 3.31Å; K610-A614 PolarHBondContact O-N 2.94Å |
| 611 | S | 90.9 | Very high | 92 | Very high | 78 Ų | 78 | 103 Ų | 103 | 55% | 0.545 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.3 | -36.3 | 177 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | E607 G608 A614 F615 | E607-S611 PolarHBondContact O-N 3.37Å; G608-S611 PolarHBondContact O-N 3.01Å; G608-S611 VanDerWaalsContact O-N 3.11Å; G608-S611 PolarHBondContact O-OG 3.41Å; S611-A614 PolarHBondContact O-N 3.36Å; S611-F615 WeakPolarHBondContact O-CB 3.42Å; S611-F615 PolarHBondContact O-N 2.72Å |
| 612 | E | 92.1 | Very high | 92.4 | Very high | 125 Ų | 125 | 107.7 Ų | 107.7 | 58% | 0.584 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.9 | -46 | 171.9 | -171.5 | 169.7 | -148 | 0 | 0 | 111.8 | G608 A614 F615 E616 | G608-E612 WeakPolarHBondContact O-CB 3.27Å; G608-E612 PolarHBondContact O-N 2.88Å; E612-A614 VanDerWaalsContact C-N 3.3Å; E612-A614 PolarHBondContact O-N 3.21Å; E612-F615 PolarHBondContact O-N 2.83Å; E612-E616 WeakPolarHBondContact O-CB 3.32Å; E612-E616 PolarHBondContact O-N 3.47Å |
| 613 | L | 93.7 | Very high | 92.8 | Very high | 94 Ų | 94 | 106.9 Ų | 106.9 | 49% | 0.492 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.4 | -39.3 | 172.8 | -175.1 | 76.7 | 0 | 0 | 0 | 112.3 | L609 R617 | L609-L613 VanDerWaalsContact O-CB 3.24Å; L609-L613 WeakPolarHBondContact O-CB 3.49Å; L609-L613 PolarHBondContact O-N 3.39Å; L613-R617 WeakPolarHBondContact O-CB 3.45Å; L613-R617 WeakPolarHBondContact O-CG 3.35Å; L613-R617 PolarHBondContact O-N 2.91Å |
| 614 | A | 93.6 | Very high | 93.2 | Very high | 57 Ų | 57 | 102 Ų | 102 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.2 | -39.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K610 S611 E612 K618 | K610-A614 WeakPolarHBondContact O-CB 3.31Å; K610-A614 PolarHBondContact O-N 2.94Å; S611-A614 PolarHBondContact O-N 3.36Å; E612-A614 VanDerWaalsContact C-N 3.3Å; E612-A614 PolarHBondContact O-N 3.21Å; A614-K618 PolarHBondContact O-N 2.88Å |
| 615 | F | 94.6 | Very high | 93.6 | Very high | 137 Ų | 137 | 100.8 Ų | 100.8 | 60% | 0.601 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.2 | -48.3 | 174.3 | 178.8 | -94.8 | 0 | 0 | 0 | 111.4 | S611 E612 R617 K618 K619 | S611-F615 WeakPolarHBondContact O-CB 3.42Å; S611-F615 PolarHBondContact O-N 2.72Å; E612-F615 PolarHBondContact O-N 2.83Å; F615-R617 VanDerWaalsContact C-N 3.35Å; F615-R617 PolarHBondContact O-N 2.82Å; F615-K618 PolarHBondContact O-N 3.23Å; F615-K619 HydrophobicContact CE1-CD 4.06Å; F615-K619 WeakPolarHBondContact O-CB 3.4Å; F615-K619 PolarHBondContact O-N 2.91Å |
| 616 | E | 94.2 | Very high | 93.8 | Very high | 80 Ų | 80 | 96.4 Ų | 96.4 | 37% | 0.374 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.7 | -35.3 | -178.5 | -165 | 59.6 | -156.2 | 0 | 0 | 111.7 | E612 K619 V620 | E612-E616 WeakPolarHBondContact O-CB 3.32Å; E612-E616 PolarHBondContact O-N 3.47Å; E616-K619 PolarHBondContact O-N 2.94Å; E616-K619 IonicContact OE1-NZ 3.88Å; E616-K619 PolarHBondContact OE1-NZ 3.29Å; E616-K619 IonicContact OE2-NZ 3.76Å; E616-K619 PolarHBondContact OE2-NZ 3.42Å; E616-V620 WeakPolarHBondContact O-CG2 3.37Å; E616-V620 PolarHBondContact O-N 2.85Å |
| 617 | R | 94.9 | Very high | 94.2 | Very high | 174 Ų | 174 | 97 Ų | 97 | 66% | 0.657 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.5 | -49.6 | 168.7 | -78.9 | 172.3 | 178.4 | -163 | -1.1 | 112.2 | L613 F615 K619 V620 E621 | L613-R617 WeakPolarHBondContact O-CB 3.45Å; L613-R617 WeakPolarHBondContact O-CG 3.35Å; L613-R617 PolarHBondContact O-N 2.91Å; F615-R617 VanDerWaalsContact C-N 3.35Å; F615-R617 PolarHBondContact O-N 2.82Å; R617-K619 VanDerWaalsContact C-N 3.28Å; R617-K619 PolarHBondContact O-N 3.45Å; R617-V620 PolarHBondContact O-N 2.87Å; R617-E621 WeakPolarHBondContact O-CB 3.27Å; R617-E621 PolarHBondContact O-N 3.5Å |
| 618 | K | 95.4 | Very high | 94.5 | Very high | 121 Ų | 121 | 96.8 Ų | 96.8 | 53% | 0.526 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -35.3 | 178 | -176.2 | 175.6 | -179.9 | 177.2 | 0 | 112.1 | A614 F615 E621 Q622 | A614-K618 PolarHBondContact O-N 2.88Å; F615-K618 PolarHBondContact O-N 3.23Å; K618-E621 PolarHBondContact O-N 2.93Å; K618-Q622 WeakPolarHBondContact O-CB 3.4Å; K618-Q622 VanDerWaalsContact O-CG 3.32Å; K618-Q622 WeakPolarHBondContact O-CG 3.5Å; K618-Q622 PolarHBondContact O-N 2.81Å |
| 619 | K | 94.9 | Very high | 94.7 | Very high | 78 Ų | 78 | 99 Ų | 99 | 34% | 0.339 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | 175.4 | 170 | 162.3 | 158.4 | -94.9 | 0 | 112.2 | F615 E616 R617 Q622 Q623 | F615-K619 HydrophobicContact CE1-CD 4.06Å; F615-K619 WeakPolarHBondContact O-CB 3.4Å; F615-K619 PolarHBondContact O-N 2.91Å; E616-K619 PolarHBondContact O-N 2.94Å; E616-K619 IonicContact OE1-NZ 3.88Å; E616-K619 PolarHBondContact OE1-NZ 3.29Å; E616-K619 IonicContact OE2-NZ 3.76Å; E616-K619 PolarHBondContact OE2-NZ 3.42Å; R617-K619 VanDerWaalsContact C-N 3.28Å; R617-K619 PolarHBondContact O-N 3.45Å; K619-Q622 PolarHBondContact O-N 2.91Å; K619-Q623 WeakPolarHBondContact O-CG 3.3Å; K619-Q623 PolarHBondContact O-N 2.86Å |
| 620 | V | 94.4 | Very high | 94.9 | Very high | 81 Ų | 81 | 98.2 Ų | 98.2 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 172.3 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | E616 R617 Q623 A624 | E616-V620 WeakPolarHBondContact O-CG2 3.37Å; E616-V620 PolarHBondContact O-N 2.85Å; R617-V620 PolarHBondContact O-N 2.87Å; V620-Q623 PolarHBondContact O-N 3.46Å; V620-A624 WeakPolarHBondContact O-CB 3.33Å; V620-A624 PolarHBondContact O-N 3.49Å |
| 621 | E | 95.3 | Very high | 95.1 | Very high | 140 Ų | 140 | 99.2 Ų | 99.2 | 65% | 0.654 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 175.1 | -177.8 | 175.7 | -130.6 | 0 | 0 | 112 | R617 K618 A624 G625 | R617-E621 WeakPolarHBondContact O-CB 3.27Å; R617-E621 PolarHBondContact O-N 3.5Å; K618-E621 PolarHBondContact O-N 2.93Å; E621-A624 PolarHBondContact O-N 3.4Å; E621-G625 PolarHBondContact O-N 3.2Å |
| 622 | Q | 95.3 | Very high | 95.5 | Very high | 132 Ų | 132 | 100.9 Ų | 100.9 | 62% | 0.617 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -38.3 | 173.3 | -76 | 179.3 | -22.3 | 0 | 0 | 112.8 | K618 K619 G626 | K618-Q622 WeakPolarHBondContact O-CB 3.4Å; K618-Q622 VanDerWaalsContact O-CG 3.32Å; K618-Q622 WeakPolarHBondContact O-CG 3.5Å; K618-Q622 PolarHBondContact O-N 2.81Å; K619-Q622 PolarHBondContact O-N 2.91Å; Q622-G626 PolarHBondContact O-N 2.81Å |
| 623 | Q | 93.8 | Very high | 95.7 | Very high | 104 Ų | 104 | 99 Ų | 99 | 49% | 0.486 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 173.3 | -74.1 | 176.8 | -6.9 | 0 | 0 | 111.8 | K619 V620 G626 F627 | K619-Q623 WeakPolarHBondContact O-CG 3.3Å; K619-Q623 PolarHBondContact O-N 2.86Å; V620-Q623 PolarHBondContact O-N 3.46Å; Q623-G626 PolarHBondContact O-N 3.49Å; Q623-F627 HydrophobicContact CB-CE2 4.37Å; Q623-F627 WeakPolarHBondContact O-CD2 3.17Å; Q623-F627 PolarHBondContact O-N 3.14Å |
| 624 | A | 94.9 | Very high | 95.9 | Very high | 42 Ų | 42 | 102.8 Ų | 102.8 | 35% | 0.347 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V620 E621 G626 F627 E628 | V620-A624 WeakPolarHBondContact O-CB 3.33Å; V620-A624 PolarHBondContact O-N 3.49Å; E621-A624 PolarHBondContact O-N 3.4Å; A624-G626 VanDerWaalsContact C-N 3.31Å; A624-G626 PolarHBondContact O-N 3.4Å; A624-F627 PolarHBondContact O-N 3.01Å; A624-F627 VanDerWaalsContact O-N 3.16Å; A624-E628 WeakPolarHBondContact O-CG 3.43Å; A624-E628 PolarHBondContact O-N 3.41Å |
| 625 | G | 96.6 | Very high | 96.1 | Very high | 36 Ų | 36 | 104 Ų | 104 | 37% | 0.371 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60 | -38.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E621 E628 E629 | E621-G625 PolarHBondContact O-N 3.2Å; G625-E628 PolarHBondContact O-N 3.01Å; G625-E629 WeakPolarHBondContact O-CB 3.31Å; G625-E629 PolarHBondContact O-N 2.91Å |
| 626 | G | 96.8 | Very high | 96.3 | Very high | 41 Ų | 41 | 101.3 Ų | 101.3 | 42% | 0.423 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q622 Q623 A624 E628 E629 E630 | Q622-G626 PolarHBondContact O-N 2.81Å; Q623-G626 PolarHBondContact O-N 3.49Å; A624-G626 VanDerWaalsContact C-N 3.31Å; A624-G626 PolarHBondContact O-N 3.4Å; G626-E628 VanDerWaalsContact C-N 3.33Å; G626-E628 PolarHBondContact O-N 3.29Å; G626-E629 PolarHBondContact O-N 2.88Å; G626-E630 WeakPolarHBondContact O-CB 3.24Å; G626-E630 PolarHBondContact O-N 3Å |
| 627 | F | 96.9 | Very high | 96.4 | Very high | 115 Ų | 115 | 101.5 Ų | 101.5 | 50% | 0.504 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.6 | -24.9 | 175.4 | -66.6 | -55.5 | 0 | 0 | 0 | 113.6 | Q623 A624 R631 | Q623-F627 HydrophobicContact CB-CE2 4.37Å; Q623-F627 WeakPolarHBondContact O-CD2 3.17Å; Q623-F627 PolarHBondContact O-N 3.14Å; A624-F627 PolarHBondContact O-N 3.01Å; A624-F627 VanDerWaalsContact O-N 3.16Å; F627-R631 WeakPolarHBondContact O-CB 3.37Å; F627-R631 VanDerWaalsContact O-CG 3.3Å; F627-R631 WeakPolarHBondContact O-CG 3.23Å; F627-R631 VanDerWaalsContact O-CZ 3.31Å; F627-R631 PolarHBondContact O-N 2.84Å; F627-R631 VanDerWaalsContact O-N 3.1Å; F627-R631 PolarHBondContact O-NE 3.49Å |
| 628 | E | 97.4 | Very high | 96.6 | Very high | 123 Ų | 123 | 98 Ų | 98 | 58% | 0.575 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -75.5 | -41.1 | 173.2 | -73.7 | 178.8 | -178.9 | 0 | 0 | 111.9 | A624 G625 G626 R631 R632 | A624-E628 WeakPolarHBondContact O-CG 3.43Å; A624-E628 PolarHBondContact O-N 3.41Å; G625-E628 PolarHBondContact O-N 3.01Å; G626-E628 VanDerWaalsContact C-N 3.33Å; G626-E628 PolarHBondContact O-N 3.29Å; E628-R631 WeakPolarHBondContact O-CB 3.49Å; E628-R631 PolarHBondContact O-N 3.41Å; E628-R632 PolarHBondContact O-N 3.45Å |
| 629 | E | 96.4 | Very high | 96.7 | Very high | 81 Ų | 81 | 94.6 Ų | 94.6 | 38% | 0.379 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 173.1 | 177.2 | 58.8 | -172.1 | 0 | 0 | 111.8 | G625 G626 R631 R632 I633 | G625-E629 WeakPolarHBondContact O-CB 3.31Å; G625-E629 PolarHBondContact O-N 2.91Å; G626-E629 PolarHBondContact O-N 2.88Å; E629-R631 VanDerWaalsContact C-N 3.32Å; E629-R631 PolarHBondContact O-N 3.47Å; E629-R632 WeakPolarHBondContact O-CB 3.5Å; E629-R632 PolarHBondContact O-N 2.93Å; E629-R632 VanDerWaalsContact O-N 3.13Å; E629-R632 IonicContact OE1-CZ 2.72Å; E629-R632 IonicContact OE1-NE 2.7Å; E629-R632 IonicContact OE1-NH2 3.93Å; E629-R632 PolarHBondContact OE1-NH2 2.94Å; E629-R632 IonicContact OE2-CZ 2.59Å; E629-R632 IonicContact OE2-NE 3.22Å; E629-R632 PolarHBondContact OE2-NE 2.62Å; E629-R632 IonicContact OE2-NH2 3.21Å; E629-R632 PolarHBondContact OE2-NH2 3.28Å; E629-I633 HydrophobicContact CG-CD1 4.15Å; E629-I633 WeakPolarHBondContact O-CG1 3.41Å; E629-I633 PolarHBondContact O-N 3.15Å |
| 630 | E | 97.6 | Very high | 96.8 | Very high | 97 Ų | 97 | 95.4 Ų | 95.4 | 45% | 0.453 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58 | -44.2 | 170.8 | 176.2 | 171.8 | -158.7 | 0 | 0 | 111.2 | G626 R632 I633 W634 | G626-E630 WeakPolarHBondContact O-CB 3.24Å; G626-E630 PolarHBondContact O-N 3Å; E630-R632 VanDerWaalsContact C-N 3.34Å; E630-R632 PolarHBondContact O-N 3.09Å; E630-I633 PolarHBondContact O-N 2.88Å; E630-W634 WeakPolarHBondContact O-CB 3.35Å; E630-W634 VanDerWaalsContact O-CD1 3.32Å; E630-W634 PolarHBondContact O-N 3.25Å |
| 631 | R | 97.7 | Very high | 97 | Very high | 147 Ų | 147 | 94.7 Ų | 94.7 | 56% | 0.555 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.2 | -37.1 | 174.5 | -82.2 | -174.8 | -70 | -95.2 | 3.9 | 112.8 | F627 E628 E629 Q635 | F627-R631 WeakPolarHBondContact O-CB 3.37Å; F627-R631 VanDerWaalsContact O-CG 3.3Å; F627-R631 WeakPolarHBondContact O-CG 3.23Å; F627-R631 VanDerWaalsContact O-CZ 3.31Å; F627-R631 PolarHBondContact O-N 2.84Å; F627-R631 VanDerWaalsContact O-N 3.1Å; F627-R631 PolarHBondContact O-NE 3.49Å; E628-R631 WeakPolarHBondContact O-CB 3.49Å; E628-R631 PolarHBondContact O-N 3.41Å; E629-R631 VanDerWaalsContact C-N 3.32Å; E629-R631 PolarHBondContact O-N 3.47Å; R631-Q635 VanDerWaalsContact O-CB 3.29Å; R631-Q635 WeakPolarHBondContact O-CB 3.09Å; R631-Q635 PolarHBondContact O-N 3.43Å |
| 632 | R | 97.9 | Very high | 97.1 | Very high | 114 Ų | 114 | 91 Ų | 91 | 43% | 0.43 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.2 | -50.3 | 174.7 | -172.8 | -174.1 | 69.5 | 85.5 | -3 | 110.8 | E628 E629 E630 W634 Q635 E636 | E628-R632 PolarHBondContact O-N 3.45Å; E629-R632 WeakPolarHBondContact O-CB 3.5Å; E629-R632 PolarHBondContact O-N 2.93Å; E629-R632 VanDerWaalsContact O-N 3.13Å; E629-R632 IonicContact OE1-CZ 2.72Å; E629-R632 IonicContact OE1-NE 2.7Å; E629-R632 IonicContact OE1-NH2 3.93Å; E629-R632 PolarHBondContact OE1-NH2 2.94Å; E629-R632 IonicContact OE2-CZ 2.59Å; E629-R632 IonicContact OE2-NE 3.22Å; E629-R632 PolarHBondContact OE2-NE 2.62Å; E629-R632 IonicContact OE2-NH2 3.21Å; E629-R632 PolarHBondContact OE2-NH2 3.28Å; E630-R632 VanDerWaalsContact C-N 3.34Å; E630-R632 PolarHBondContact O-N 3.09Å; R632-W634 PolarHBondContact O-N 3.25Å; R632-Q635 PolarHBondContact O-N 3.42Å; R632-E636 WeakPolarHBondContact CG-OE1 3.33Å; R632-E636 IonicContact CZ-OE1 2.83Å; R632-E636 VanDerWaalsContact NH1-CD 3.25Å; R632-E636 IonicContact NH1-OE1 3.89Å; R632-E636 PolarHBondContact NH1-OE1 3.15Å; R632-E636 IonicContact NH1-OE2 2.62Å; R632-E636 PolarHBondContact NH1-OE2 3.17Å; R632-E636 WeakPolarHBondContact O-CG 3.42Å; R632-E636 PolarHBondContact O-N 2.9Å |
| 633 | I | 97.3 | Very high | 97.3 | Very high | 85 Ų | 85 | 91.7 Ų | 91.7 | 44% | 0.436 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60 | -47 | 178.9 | -65.9 | 164.9 | 0 | 0 | 0 | 110.7 | E629 E630 Q635 E636 E637 | E629-I633 HydrophobicContact CG-CD1 4.15Å; E629-I633 WeakPolarHBondContact O-CG1 3.41Å; E629-I633 PolarHBondContact O-N 3.15Å; E630-I633 PolarHBondContact O-N 2.88Å; I633-Q635 VanDerWaalsContact C-N 3.35Å; I633-Q635 PolarHBondContact O-N 2.89Å; I633-E636 PolarHBondContact O-N 3.21Å; I633-E637 WeakPolarHBondContact O-CB 3.42Å; I633-E637 PolarHBondContact O-N 3.04Å |
| 634 | W | 98.4 | Very high | 97.5 | Very high | 174 Ų | 174 | 93.7 Ų | 93.7 | 66% | 0.659 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -61.5 | -39.4 | 175.8 | -90.1 | 103.8 | 0 | 0 | 0 | 113 | E630 R632 K638 | E630-W634 WeakPolarHBondContact O-CB 3.35Å; E630-W634 VanDerWaalsContact O-CD1 3.32Å; E630-W634 PolarHBondContact O-N 3.25Å; R632-W634 PolarHBondContact O-N 3.25Å; W634-K638 VanDerWaalsContact O-CB 3.23Å; W634-K638 WeakPolarHBondContact O-CB 3.38Å; W634-K638 PolarHBondContact O-N 3.12Å |
| 635 | Q | 97.4 | Very high | 97.6 | Very high | 82 Ų | 82 | 96.6 Ų | 96.6 | 38% | 0.383 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 177.1 | 176.3 | 51 | 36.4 | 0 | 0 | 111.6 | R631 R632 I633 K638 D639 | R631-Q635 VanDerWaalsContact O-CB 3.29Å; R631-Q635 WeakPolarHBondContact O-CB 3.09Å; R631-Q635 PolarHBondContact O-N 3.43Å; R632-Q635 PolarHBondContact O-N 3.42Å; I633-Q635 VanDerWaalsContact C-N 3.35Å; I633-Q635 PolarHBondContact O-N 2.89Å; Q635-K638 VanDerWaalsContact OE1-CE 3.32Å; Q635-D639 PolarHBondContact NE2-OD1 3.23Å; Q635-D639 PolarHBondContact NE2-OD2 2.98Å; Q635-D639 WeakPolarHBondContact O-CB 3.35Å; Q635-D639 VanDerWaalsContact O-CG 3.25Å; Q635-D639 PolarHBondContact O-N 3.44Å |
| 636 | E | 97.8 | Very high | 97.7 | Very high | 81 Ų | 81 | 100.6 Ų | 100.6 | 38% | 0.379 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65 | -41.5 | 175.8 | -75.5 | 174 | -161.7 | 0 | 0 | 112.3 | R632 I633 D639 K640 | R632-E636 WeakPolarHBondContact CG-OE1 3.33Å; R632-E636 IonicContact CZ-OE1 2.83Å; R632-E636 VanDerWaalsContact NH1-CD 3.25Å; R632-E636 IonicContact NH1-OE1 3.89Å; R632-E636 PolarHBondContact NH1-OE1 3.15Å; R632-E636 IonicContact NH1-OE2 2.62Å; R632-E636 PolarHBondContact NH1-OE2 3.17Å; R632-E636 WeakPolarHBondContact O-CG 3.42Å; R632-E636 PolarHBondContact O-N 2.9Å; I633-E636 PolarHBondContact O-N 3.21Å; E636-D639 PolarHBondContact O-N 3.09Å; E636-K640 WeakPolarHBondContact O-CG 3.38Å; E636-K640 PolarHBondContact O-N 3.46Å |
| 637 | E | 97.4 | Very high | 97.7 | Very high | 84 Ų | 84 | 105 Ų | 105 | 39% | 0.393 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -69 | -41.8 | 177.3 | -159.6 | 58.6 | -127.4 | 0 | 0 | 111.7 | I633 D639 K640 V641 | I633-E637 WeakPolarHBondContact O-CB 3.42Å; I633-E637 PolarHBondContact O-N 3.04Å; E637-D639 VanDerWaalsContact C-N 3.25Å; E637-D639 PolarHBondContact O-N 2.73Å; E637-K640 WeakPolarHBondContact O-CB 3.16Å; E637-K640 PolarHBondContact O-N 3.47Å; E637-K640 VanDerWaalsContact O-N 3.12Å; E637-K640 WeakPolarHBondContact OE2-CD 3.27Å; E637-K640 WeakPolarHBondContact OE2-CE 3.3Å; E637-K640 IonicContact OE2-NZ 3.87Å; E637-K640 PolarHBondContact OE2-NZ 2.95Å; E637-V641 WeakPolarHBondContact O-CG2 3.36Å; E637-V641 PolarHBondContact O-N 3.4Å |
| 638 | K | 98 | Very high | 97.8 | Very high | 99 Ų | 99 | 103.9 Ų | 103.9 | 43% | 0.43 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -55.1 | -43.2 | 171.1 | -169.6 | -159.4 | 78.2 | -170 | 0 | 111.1 | W634 Q635 V641 I642 | W634-K638 VanDerWaalsContact O-CB 3.23Å; W634-K638 WeakPolarHBondContact O-CB 3.38Å; W634-K638 PolarHBondContact O-N 3.12Å; Q635-K638 VanDerWaalsContact OE1-CE 3.32Å; K638-V641 PolarHBondContact O-N 2.89Å; K638-I642 HydrophobicContact CD-CD1 4.3Å; K638-I642 HydrophobicContact CG-CD1 4.03Å; K638-I642 VanDerWaalsContact O-CG1 3.27Å; K638-I642 WeakPolarHBondContact O-CG1 3.42Å; K638-I642 PolarHBondContact O-N 2.77Å |
| 639 | D | 97.6 | Very high | 97.8 | Very high | 51 Ų | 51 | 104 Ų | 104 | 27% | 0.273 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -74.3 | -27.7 | 179.7 | -67.6 | -7 | 0 | 0 | 0 | 112.7 | Q635 E636 E637 R643 | Q635-D639 PolarHBondContact NE2-OD1 3.23Å; Q635-D639 PolarHBondContact NE2-OD2 2.98Å; Q635-D639 WeakPolarHBondContact O-CB 3.35Å; Q635-D639 VanDerWaalsContact O-CG 3.25Å; Q635-D639 PolarHBondContact O-N 3.44Å; E636-D639 PolarHBondContact O-N 3.09Å; E637-D639 VanDerWaalsContact C-N 3.25Å; E637-D639 PolarHBondContact O-N 2.73Å; D639-R643 WeakPolarHBondContact O-CB 3.42Å; D639-R643 WeakPolarHBondContact O-CG 3.34Å; D639-R643 VanDerWaalsContact O-CZ 3.27Å; D639-R643 PolarHBondContact O-N 2.77Å; D639-R643 PolarHBondContact O-NE 2.9Å; D639-R643 PolarHBondContact O-NH1 2.88Å |
| 640 | K | 98.2 | Very high | 97.9 | Very high | 95 Ų | 95 | 105.7 Ų | 105.7 | 41% | 0.413 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.7 | -48.7 | 166.7 | -69.2 | 170.9 | -143.6 | 164.8 | 0 | 110.6 | E636 E637 I642 R643 Y644 | E636-K640 WeakPolarHBondContact O-CG 3.38Å; E636-K640 PolarHBondContact O-N 3.46Å; E637-K640 WeakPolarHBondContact O-CB 3.16Å; E637-K640 PolarHBondContact O-N 3.47Å; E637-K640 VanDerWaalsContact O-N 3.12Å; E637-K640 WeakPolarHBondContact OE2-CD 3.27Å; E637-K640 WeakPolarHBondContact OE2-CE 3.3Å; E637-K640 IonicContact OE2-NZ 3.87Å; E637-K640 PolarHBondContact OE2-NZ 2.95Å; K640-I642 PolarHBondContact O-N 3.48Å; K640-R643 VanDerWaalsContact CG-NH2 3.34Å; K640-R643 PolarHBondContact O-N 3.32Å; K640-Y644 PolarHBondContact O-N 3.32Å |
| 641 | V | 98.3 | Very high | 97.9 | Very high | 66 Ų | 66 | 105.6 Ų | 105.6 | 40% | 0.4 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | E637 K638 R643 Y644 Q645 | E637-V641 WeakPolarHBondContact O-CG2 3.36Å; E637-V641 PolarHBondContact O-N 3.4Å; K638-V641 PolarHBondContact O-N 2.89Å; V641-R643 PolarHBondContact O-N 3.46Å; V641-Y644 PolarHBondContact O-N 2.86Å; V641-Q645 HydrophobicContact CG1-CG 4.33Å; V641-Q645 WeakPolarHBondContact O-CB 3.1Å; V641-Q645 WeakPolarHBondContact O-CG 3.5Å; V641-Q645 PolarHBondContact O-N 3.26Å |
| 642 | I | 98.1 | Very high | 97.9 | Very high | 63 Ų | 63 | 105.3 Ų | 105.3 | 32% | 0.323 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 176.3 | -70.6 | 164.7 | 0 | 0 | 0 | 111.5 | K638 K640 K646 | K638-I642 HydrophobicContact CD-CD1 4.3Å; K638-I642 HydrophobicContact CG-CD1 4.03Å; K638-I642 VanDerWaalsContact O-CG1 3.27Å; K638-I642 WeakPolarHBondContact O-CG1 3.42Å; K638-I642 PolarHBondContact O-N 2.77Å; K640-I642 PolarHBondContact O-N 3.48Å; I642-K646 HydrophobicContact CG2-CD 4.42Å; I642-K646 WeakPolarHBondContact O-CG 3.35Å; I642-K646 PolarHBondContact O-N 2.93Å |
| 643 | R | 97.8 | Very high | 97.9 | Very high | 146 Ų | 146 | 102.9 Ų | 102.9 | 55% | 0.551 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.1 | -46.1 | 174.6 | -76.6 | -176.2 | -64.6 | -90.3 | 2.1 | 111.6 | D639 K640 V641 K646 Q647 | D639-R643 WeakPolarHBondContact O-CB 3.42Å; D639-R643 WeakPolarHBondContact O-CG 3.34Å; D639-R643 VanDerWaalsContact O-CZ 3.27Å; D639-R643 PolarHBondContact O-N 2.77Å; D639-R643 PolarHBondContact O-NE 2.9Å; D639-R643 PolarHBondContact O-NH1 2.88Å; K640-R643 VanDerWaalsContact CG-NH2 3.34Å; K640-R643 PolarHBondContact O-N 3.32Å; V641-R643 PolarHBondContact O-N 3.46Å; R643-K646 PolarHBondContact O-N 2.99Å; R643-Q647 PolarHBondContact O-N 3.5Å |
| 644 | Y | 98 | Very high | 97.9 | Very high | 146 Ų | 146 | 104.4 Ų | 104.4 | 57% | 0.573 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.2 | -45 | 177.8 | 178.2 | -106.2 | 0 | 0 | 0 | 112.3 | K640 V641 K646 Q647 L648 | K640-Y644 PolarHBondContact O-N 3.32Å; V641-Y644 PolarHBondContact O-N 2.86Å; Y644-K646 PolarHBondContact O-N 3.22Å; Y644-Q647 PolarHBondContact O-N 3.26Å; Y644-L648 HydrophobicContact CE1-CD2 4.37Å; Y644-L648 WeakPolarHBondContact O-CB 3.39Å; Y644-L648 PolarHBondContact O-N 2.87Å |
| 645 | Q | 98.1 | Very high | 97.9 | Very high | 102 Ų | 102 | 99.9 Ų | 99.9 | 48% | 0.477 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 176.6 | -75.5 | 178.4 | -7.1 | 0 | 0 | 112.4 | V641 L648 Q649 | V641-Q645 HydrophobicContact CG1-CG 4.33Å; V641-Q645 WeakPolarHBondContact O-CB 3.1Å; V641-Q645 WeakPolarHBondContact O-CG 3.5Å; V641-Q645 PolarHBondContact O-N 3.26Å; Q645-L648 PolarHBondContact O-N 3.37Å; Q645-Q649 WeakPolarHBondContact O-CB 3.39Å; Q645-Q649 VanDerWaalsContact O-CG 3.26Å; Q645-Q649 WeakPolarHBondContact O-CG 3.44Å; Q645-Q649 PolarHBondContact O-N 2.86Å |
| 646 | K | 98.1 | Very high | 98 | Very high | 120 Ų | 120 | 101.5 Ų | 101.5 | 52% | 0.522 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.6 | -48.1 | 173.7 | -75.1 | 178.3 | 177.5 | -173.7 | 0 | 112 | I642 R643 Y644 L648 Q649 E650 | I642-K646 HydrophobicContact CG2-CD 4.42Å; I642-K646 WeakPolarHBondContact O-CG 3.35Å; I642-K646 PolarHBondContact O-N 2.93Å; R643-K646 PolarHBondContact O-N 2.99Å; Y644-K646 PolarHBondContact O-N 3.22Å; K646-L648 VanDerWaalsContact C-N 3.28Å; K646-L648 PolarHBondContact O-N 2.78Å; K646-Q649 PolarHBondContact O-N 3Å; K646-E650 WeakPolarHBondContact O-CG 3.39Å; K646-E650 PolarHBondContact O-N 3.42Å |
| 647 | Q | 98.1 | Very high | 98 | Very high | 134 Ų | 134 | 105 Ų | 105 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.5 | -38.4 | 178.1 | -173.8 | 177.8 | -2.4 | 0 | 0 | 112 | R643 Y644 N651 | R643-Q647 PolarHBondContact O-N 3.5Å; Y644-Q647 PolarHBondContact O-N 3.26Å; Q647-N651 VanDerWaalsContact O-CB 3.31Å; Q647-N651 WeakPolarHBondContact O-CB 3.43Å; Q647-N651 PolarHBondContact O-N 3.43Å |
| 648 | L | 98.2 | Very high | 98 | Very high | 91 Ų | 91 | 108.9 Ų | 108.9 | 48% | 0.476 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.3 | -40.1 | 175.9 | -173.2 | 63.3 | 0 | 0 | 0 | 112.2 | Y644 Q645 K646 N651 Y652 | Y644-L648 HydrophobicContact CE1-CD2 4.37Å; Y644-L648 WeakPolarHBondContact O-CB 3.39Å; Y644-L648 PolarHBondContact O-N 2.87Å; Q645-L648 PolarHBondContact O-N 3.37Å; K646-L648 VanDerWaalsContact C-N 3.28Å; K646-L648 PolarHBondContact O-N 2.78Å; L648-N651 PolarHBondContact O-N 3.17Å; L648-Y652 WeakPolarHBondContact O-CB 3.47Å; L648-Y652 PolarHBondContact O-N 2.93Å |
| 649 | Q | 97.8 | Very high | 97.9 | Very high | 125 Ų | 125 | 107.7 Ų | 107.7 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.9 | -44.6 | 173.2 | -74.5 | 170.3 | -4.7 | 0 | 0 | 111.9 | Q645 K646 Y652 V653 | Q645-Q649 WeakPolarHBondContact O-CB 3.39Å; Q645-Q649 VanDerWaalsContact O-CG 3.26Å; Q645-Q649 WeakPolarHBondContact O-CG 3.44Å; Q645-Q649 PolarHBondContact O-N 2.86Å; K646-Q649 PolarHBondContact O-N 3Å; Q649-Y652 PolarHBondContact O-N 2.69Å; Q649-V653 WeakPolarHBondContact O-CB 3.24Å; Q649-V653 VanDerWaalsContact O-CG2 3.31Å; Q649-V653 WeakPolarHBondContact O-CG2 3.48Å; Q649-V653 PolarHBondContact O-N 2.99Å |
| 650 | E | 97.2 | Very high | 97.9 | Very high | 117 Ų | 117 | 111.8 Ų | 111.8 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -44.5 | 176 | -74 | 172.6 | -158.5 | 0 | 0 | 111.6 | K646 V653 Q654 | K646-E650 WeakPolarHBondContact O-CG 3.39Å; K646-E650 PolarHBondContact O-N 3.42Å; E650-V653 PolarHBondContact O-N 3.24Å; E650-Q654 WeakPolarHBondContact O-CB 3.48Å; E650-Q654 VanDerWaalsContact O-CG 3.23Å; E650-Q654 WeakPolarHBondContact O-CG 3.41Å; E650-Q654 PolarHBondContact O-N 3.48Å |
| 651 | N | 97.8 | Very high | 97.9 | Very high | 96 Ų | 96 | 112.4 Ų | 112.4 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 176.2 | -177.4 | -98.8 | 0 | 0 | 0 | 112.2 | Q647 L648 V653 Q654 M655 | Q647-N651 VanDerWaalsContact O-CB 3.31Å; Q647-N651 WeakPolarHBondContact O-CB 3.43Å; Q647-N651 PolarHBondContact O-N 3.43Å; L648-N651 PolarHBondContact O-N 3.17Å; N651-V653 PolarHBondContact O-N 3.27Å; N651-Q654 PolarHBondContact O-N 3.48Å; N651-M655 WeakPolarHBondContact O-CB 3.25Å; N651-M655 PolarHBondContact O-N 2.83Å |
| 652 | Y | 98.3 | Very high | 97.8 | Very high | 140 Ų | 140 | 113.1 Ų | 113.1 | 55% | 0.549 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 175.4 | 178.3 | -97.3 | 0 | 0 | 0 | 112 | L648 Q649 M655 Y656 | L648-Y652 WeakPolarHBondContact O-CB 3.47Å; L648-Y652 PolarHBondContact O-N 2.93Å; Q649-Y652 PolarHBondContact O-N 2.69Å; Y652-M655 HydrophobicContact CD2-CE 3.72Å; Y652-M655 HydrophobicContact CE2-CE 3.88Å; Y652-M655 PolarHBondContact O-N 2.72Å; Y652-Y656 VanDerWaalsContact O-CB 3.3Å; Y652-Y656 WeakPolarHBondContact O-CB 3.33Å; Y652-Y656 PolarHBondContact O-N 2.71Å |
| 653 | V | 98.3 | Very high | 97.8 | Very high | 63 Ų | 63 | 114.8 Ų | 114.8 | 38% | 0.382 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 177.3 | 169.1 | 0 | 0 | 0 | 0 | 112 | Q649 E650 N651 R657 | Q649-V653 WeakPolarHBondContact O-CB 3.24Å; Q649-V653 VanDerWaalsContact O-CG2 3.31Å; Q649-V653 WeakPolarHBondContact O-CG2 3.48Å; Q649-V653 PolarHBondContact O-N 2.99Å; E650-V653 PolarHBondContact O-N 3.24Å; N651-V653 PolarHBondContact O-N 3.27Å; V653-R657 WeakPolarHBondContact O-CG 3.16Å; V653-R657 PolarHBondContact O-N 2.84Å; V653-R657 VanDerWaalsContact O-N 3.09Å |
| 654 | Q | 97.9 | Very high | 97.7 | Very high | 117 Ų | 117 | 112.2 Ų | 112.2 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -45.9 | 174.5 | -72.3 | 168.6 | 27.1 | 0 | 0 | 111.7 | E650 N651 R657 R658 | E650-Q654 WeakPolarHBondContact O-CB 3.48Å; E650-Q654 VanDerWaalsContact O-CG 3.23Å; E650-Q654 WeakPolarHBondContact O-CG 3.41Å; E650-Q654 PolarHBondContact O-N 3.48Å; N651-Q654 PolarHBondContact O-N 3.48Å; Q654-R657 PolarHBondContact O-N 2.86Å; Q654-R658 PolarHBondContact O-N 2.99Å |
| 655 | M | 98.1 | Very high | 97.7 | Very high | 80 Ų | 80 | 110.1 Ų | 110.1 | 39% | 0.394 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 176.4 | 179.1 | -80.2 | -64.5 | 0 | 0 | 111.4 | N651 Y652 R657 R658 N659 | N651-M655 WeakPolarHBondContact O-CB 3.25Å; N651-M655 PolarHBondContact O-N 2.83Å; Y652-M655 HydrophobicContact CD2-CE 3.72Å; Y652-M655 HydrophobicContact CE2-CE 3.88Å; Y652-M655 PolarHBondContact O-N 2.72Å; M655-R657 PolarHBondContact O-N 3.49Å; M655-R658 PolarHBondContact O-N 3.2Å; M655-N659 PolarHBondContact O-N 2.92Å |
| 656 | Y | 98 | Very high | 97.5 | Very high | 116 Ų | 116 | 110.5 Ų | 110.5 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 178 | -179.6 | -104.5 | 0 | 0 | 0 | 112.8 | Y652 R660 | Y652-Y656 VanDerWaalsContact O-CB 3.3Å; Y652-Y656 WeakPolarHBondContact O-CB 3.33Å; Y652-Y656 PolarHBondContact O-N 2.71Å; Y656-R660 WeakPolarHBondContact O-CB 3.48Å; Y656-R660 PolarHBondContact O-N 3.21Å |
| 657 | R | 97.8 | Very high | 97.4 | Very high | 153 Ų | 153 | 110.7 Ų | 110.7 | 58% | 0.577 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.6 | -48.8 | 171.7 | -72.3 | 178 | -156.3 | 180 | 6.7 | 111.6 | V653 Q654 M655 N659 R660 E661 | V653-R657 WeakPolarHBondContact O-CG 3.16Å; V653-R657 PolarHBondContact O-N 2.84Å; V653-R657 VanDerWaalsContact O-N 3.09Å; Q654-R657 PolarHBondContact O-N 2.86Å; M655-R657 PolarHBondContact O-N 3.49Å; R657-N659 VanDerWaalsContact C-N 3.33Å; R657-N659 PolarHBondContact O-N 2.9Å; R657-R660 PolarHBondContact O-N 2.95Å; R657-R660 VanDerWaalsContact O-N 3.13Å; R657-E661 VanDerWaalsContact O-CG 3.32Å; R657-E661 WeakPolarHBondContact O-CG 3.5Å; R657-E661 PolarHBondContact O-N 3.22Å |
| 658 | R | 97.3 | Very high | 97.2 | Very high | 167 Ų | 167 | 110.1 Ų | 110.1 | 63% | 0.63 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.8 | -41.8 | 179.2 | -174.3 | -174.7 | 178.5 | 91.4 | 1 | 112.1 | Q654 M655 E661 L662 | Q654-R658 PolarHBondContact O-N 2.99Å; M655-R658 PolarHBondContact O-N 3.2Å; R658-E661 PolarHBondContact O-N 3.26Å; R658-L662 HydrophobicContact CG-CD1 4.25Å; R658-L662 VanDerWaalsContact O-CG 3.28Å; R658-L662 WeakPolarHBondContact O-CG 3.18Å; R658-L662 PolarHBondContact O-N 2.74Å |
| 659 | N | 97.4 | Very high | 97 | Very high | 73 Ų | 73 | 110 Ų | 110 | 39% | 0.39 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 175.3 | -79.3 | 11.7 | 0 | 0 | 0 | 111.1 | M655 R657 E661 L662 E663 | M655-N659 PolarHBondContact O-N 2.92Å; R657-N659 VanDerWaalsContact C-N 3.33Å; R657-N659 PolarHBondContact O-N 2.9Å; N659-E661 PolarHBondContact O-N 2.82Å; N659-L662 CarbonylContact O-C 3.21Å; N659-L662 WeakPolarHBondContact O-CB 3.49Å; N659-L662 PolarHBondContact O-N 3.16Å; N659-L662 VanDerWaalsContact O-N 3.15Å; N659-E663 WeakPolarHBondContact O-CB 3.22Å; N659-E663 VanDerWaalsContact O-CG 3.28Å; N659-E663 WeakPolarHBondContact O-CG 3.4Å; N659-E663 PolarHBondContact O-N 2.85Å |
| 660 | R | 97.8 | Very high | 96.7 | Very high | 137 Ų | 137 | 107.6 Ų | 107.6 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 176 | -173.3 | 173.3 | 176.7 | 163.6 | 1 | 113.2 | Y656 R657 L662 E663 Q664 | Y656-R660 WeakPolarHBondContact O-CB 3.48Å; Y656-R660 PolarHBondContact O-N 3.21Å; R657-R660 PolarHBondContact O-N 2.95Å; R657-R660 VanDerWaalsContact O-N 3.13Å; R660-L662 VanDerWaalsContact C-N 3.34Å; R660-E663 PolarHBondContact O-N 2.87Å; R660-Q664 VanDerWaalsContact O-CG 3.28Å; R660-Q664 WeakPolarHBondContact O-CG 3.46Å; R660-Q664 PolarHBondContact O-N 3.04Å |
| 661 | E | 97.6 | Very high | 96.4 | Very high | 108 Ų | 108 | 107.2 Ų | 107.2 | 51% | 0.505 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 172.3 | -71 | 158.9 | -163.9 | 0 | 0 | 111.2 | R657 R658 N659 Q664 L665 | R657-E661 VanDerWaalsContact O-CG 3.32Å; R657-E661 WeakPolarHBondContact O-CG 3.5Å; R657-E661 PolarHBondContact O-N 3.22Å; R658-E661 PolarHBondContact O-N 3.26Å; N659-E661 PolarHBondContact O-N 2.82Å; E661-Q664 PolarHBondContact O-N 3.35Å; E661-L665 WeakPolarHBondContact O-CG 3.32Å; E661-L665 PolarHBondContact O-N 3.33Å |
| 662 | L | 97.1 | Very high | 96 | Very high | 82 Ų | 82 | 109 Ų | 109 | 43% | 0.429 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71 | -38.3 | 174.8 | -69.4 | 167.6 | 0 | 0 | 0 | 112.7 | R658 N659 R660 Q664 L665 L666 | R658-L662 HydrophobicContact CG-CD1 4.25Å; R658-L662 VanDerWaalsContact O-CG 3.28Å; R658-L662 WeakPolarHBondContact O-CG 3.18Å; R658-L662 PolarHBondContact O-N 2.74Å; N659-L662 CarbonylContact O-C 3.21Å; N659-L662 WeakPolarHBondContact O-CB 3.49Å; N659-L662 PolarHBondContact O-N 3.16Å; N659-L662 VanDerWaalsContact O-N 3.15Å; R660-L662 VanDerWaalsContact C-N 3.34Å; L662-Q664 VanDerWaalsContact C-N 3.31Å; L662-Q664 PolarHBondContact O-N 3.3Å; L662-L665 PolarHBondContact O-N 3.09Å; L662-L666 WeakPolarHBondContact O-CB 3.32Å; L662-L666 VanDerWaalsContact O-CG 3.28Å; L662-L666 WeakPolarHBondContact O-CG 3.5Å; L662-L666 PolarHBondContact O-N 3.01Å |
| 663 | E | 96.8 | Very high | 95.4 | Very high | 97 Ų | 97 | 106.8 Ų | 106.8 | 45% | 0.453 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.9 | -40 | 172.9 | -73.9 | 161.7 | -167.1 | 0 | 0 | 111.1 | N659 R660 L666 Q667 | N659-E663 WeakPolarHBondContact O-CB 3.22Å; N659-E663 VanDerWaalsContact O-CG 3.28Å; N659-E663 WeakPolarHBondContact O-CG 3.4Å; N659-E663 PolarHBondContact O-N 2.85Å; R660-E663 PolarHBondContact O-N 2.87Å; E663-L666 PolarHBondContact O-N 3.16Å; E663-Q667 VanDerWaalsContact O-CG 3.28Å; E663-Q667 WeakPolarHBondContact O-CG 3.42Å; E663-Q667 PolarHBondContact O-N 3.2Å |
| 664 | Q | 97.1 | Very high | 94.7 | Very high | 93 Ų | 93 | 109.5 Ų | 109.5 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66 | -47.5 | 174.5 | -73.5 | 176.3 | -56.7 | 0 | 0 | 111.9 | R660 E661 L662 L666 Q667 E668 | R660-Q664 VanDerWaalsContact O-CG 3.28Å; R660-Q664 WeakPolarHBondContact O-CG 3.46Å; R660-Q664 PolarHBondContact O-N 3.04Å; E661-Q664 PolarHBondContact O-N 3.35Å; L662-Q664 VanDerWaalsContact C-N 3.31Å; L662-Q664 PolarHBondContact O-N 3.3Å; Q664-L666 VanDerWaalsContact C-N 3.28Å; Q664-L666 PolarHBondContact O-N 3.48Å; Q664-Q667 PolarHBondContact O-N 3.3Å; Q664-Q667 VanDerWaalsContact O-N 3.13Å; Q664-E668 WeakPolarHBondContact O-CG 3.4Å; Q664-E668 PolarHBondContact O-N 2.91Å |
| 665 | L | 96.9 | Very high | 93.7 | Very high | 101 Ų | 101 | 107.1 Ų | 107.1 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -32.9 | 176.5 | -71.5 | 168.7 | 0 | 0 | 0 | 112.9 | E661 L662 L669 | E661-L665 WeakPolarHBondContact O-CG 3.32Å; E661-L665 PolarHBondContact O-N 3.33Å; L662-L665 PolarHBondContact O-N 3.09Å; L665-L669 WeakPolarHBondContact O-CB 3.45Å; L665-L669 PolarHBondContact O-N 3.12Å |
| 666 | L | 94.6 | Very high | 92.6 | Very high | 111 Ų | 111 | 110.5 Ų | 110.5 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.2 | -40.6 | 172.7 | -75 | 168.5 | 0 | 0 | 0 | 111.7 | L662 E663 Q664 L669 S670 | L662-L666 WeakPolarHBondContact O-CB 3.32Å; L662-L666 VanDerWaalsContact O-CG 3.28Å; L662-L666 WeakPolarHBondContact O-CG 3.5Å; L662-L666 PolarHBondContact O-N 3.01Å; E663-L666 PolarHBondContact O-N 3.16Å; Q664-L666 VanDerWaalsContact C-N 3.28Å; Q664-L666 PolarHBondContact O-N 3.48Å; L666-L669 PolarHBondContact O-N 2.8Å; L666-S670 WeakPolarHBondContact O-CB 3.48Å; L666-S670 PolarHBondContact O-N 3.23Å; L666-S670 PolarHBondContact O-OG 3.01Å |
| 667 | Q | 94.9 | Very high | 91 | Very high | 124 Ų | 124 | 112.4 Ų | 112.4 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | 174.6 | -73.8 | 167.8 | 7.4 | 0 | 0 | 111.9 | E663 Q664 S670 L671 | E663-Q667 VanDerWaalsContact O-CG 3.28Å; E663-Q667 WeakPolarHBondContact O-CG 3.42Å; E663-Q667 PolarHBondContact O-N 3.2Å; Q664-Q667 PolarHBondContact O-N 3.3Å; Q664-Q667 VanDerWaalsContact O-N 3.13Å; Q667-S670 PolarHBondContact O-N 3.36Å; Q667-L671 VanDerWaalsContact O-CG 3.32Å; Q667-L671 WeakPolarHBondContact O-CG 3.26Å; Q667-L671 PolarHBondContact O-N 2.84Å |
| 668 | E | 94.6 | Very high | 89.2 | Confident | 122 Ų | 122 | 112.4 Ų | 112.4 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.5 | -45.5 | 174.8 | -73 | 172.4 | -173.6 | 0 | 0 | 111.4 | Q664 L671 E672 | Q664-E668 WeakPolarHBondContact O-CG 3.4Å; Q664-E668 PolarHBondContact O-N 2.91Å; E668-L671 PolarHBondContact O-N 3.41Å; E668-E672 PolarHBondContact O-N 2.92Å |
| 669 | L | 93.5 | Very high | 87.4 | Confident | 87 Ų | 87 | 110.6 Ų | 110.6 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68 | -37 | 177.1 | -177.3 | 62.9 | 0 | 0 | 0 | 112.8 | L665 L666 E672 L673 | L665-L669 WeakPolarHBondContact O-CB 3.45Å; L665-L669 PolarHBondContact O-N 3.12Å; L666-L669 PolarHBondContact O-N 2.8Å; L669-E672 PolarHBondContact O-N 2.81Å; L669-L673 HydrophobicContact CG-CD1 4.32Å; L669-L673 VanDerWaalsContact O-CG 3.3Å; L669-L673 WeakPolarHBondContact O-CG 3.46Å; L669-L673 PolarHBondContact O-N 3.36Å |
| 670 | S | 91.6 | Very high | 85.5 | Confident | 75 Ų | 75 | 113.7 Ų | 113.7 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.7 | -42.3 | 173.3 | -75.9 | 0 | 0 | 0 | 0 | 111.8 | L666 Q667 L673 E674 | L666-S670 WeakPolarHBondContact O-CB 3.48Å; L666-S670 PolarHBondContact O-N 3.23Å; L666-S670 PolarHBondContact O-OG 3.01Å; Q667-S670 PolarHBondContact O-N 3.36Å; S670-L673 PolarHBondContact O-N 2.78Å; S670-E674 WeakPolarHBondContact O-CB 3.48Å; S670-E674 PolarHBondContact O-N 3.32Å |
| 671 | L | 91 | Very high | 83.4 | Confident | 110 Ų | 110 | 110.2 Ų | 110.2 | 58% | 0.576 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -68.3 | -37.1 | 175.9 | -70.5 | 168.1 | 0 | 0 | 0 | 112.3 | Q667 E668 L673 E674 S675 | Q667-L671 VanDerWaalsContact O-CG 3.32Å; Q667-L671 WeakPolarHBondContact O-CG 3.26Å; Q667-L671 PolarHBondContact O-N 2.84Å; E668-L671 PolarHBondContact O-N 3.41Å; L671-L673 VanDerWaalsContact C-N 3.35Å; L671-E674 PolarHBondContact O-N 2.95Å; L671-S675 VanDerWaalsContact O-CB 3.27Å; L671-S675 WeakPolarHBondContact O-CB 3.4Å; L671-S675 PolarHBondContact O-N 3.49Å; L671-S675 PolarHBondContact O-OG 3.4Å |
| 672 | E | 90.2 | Very high | 81.4 | Confident | 133 Ų | 133 | 110.2 Ų | 110.2 | 62% | 0.621 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.8 | -43.1 | 173.7 | -173.1 | 175.8 | -163.2 | 0 | 0 | 111.1 | E668 L669 S675 R676 | E668-E672 PolarHBondContact O-N 2.92Å; L669-E672 PolarHBondContact O-N 2.81Å; E672-S675 PolarHBondContact O-OG 3.4Å; E672-R676 PolarHBondContact O-N 2.85Å |
| 673 | L | 85.9 | Confident | 79.4 | Confident | 94 Ų | 94 | 108.9 Ų | 108.9 | 49% | 0.492 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.5 | -47.2 | 175.7 | -69.7 | 169.3 | 0 | 0 | 0 | 112.4 | L669 S670 L671 S675 R676 E677 | L669-L673 HydrophobicContact CG-CD1 4.32Å; L669-L673 VanDerWaalsContact O-CG 3.3Å; L669-L673 WeakPolarHBondContact O-CG 3.46Å; L669-L673 PolarHBondContact O-N 3.36Å; S670-L673 PolarHBondContact O-N 2.78Å; L671-L673 VanDerWaalsContact C-N 3.35Å; L673-S675 PolarHBondContact O-N 3.48Å; L673-R676 WeakPolarHBondContact O-CB 3.28Å; L673-R676 PolarHBondContact O-N 2.9Å; L673-R676 VanDerWaalsContact O-N 3.09Å; L673-E677 PolarHBondContact O-N 3.46Å |
| 674 | E | 82.1 | Confident | 77.2 | Confident | 120 Ų | 120 | 111.6 Ų | 111.6 | 56% | 0.561 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -59.9 | -44.9 | 178.1 | -170.4 | 168.1 | -145.9 | 0 | 0 | 111 | S670 L671 R676 E677 E678 | S670-E674 WeakPolarHBondContact O-CB 3.48Å; S670-E674 PolarHBondContact O-N 3.32Å; L671-E674 PolarHBondContact O-N 2.95Å; E674-R676 PolarHBondContact O-N 3.23Å; E674-E677 PolarHBondContact O-N 3.13Å; E674-E677 VanDerWaalsContact O-N 3.17Å; E674-E678 PolarHBondContact O-N 2.97Å; E674-E678 VanDerWaalsContact O-N 3.15Å |
| 675 | S | 78.2 | Confident | 74.8 | Confident | 66 Ų | 66 | 116.7 Ų | 116.7 | 46% | 0.462 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.9 | -23.1 | 176 | 72.9 | 0 | 0 | 0 | 0 | 114.3 | L671 E672 L673 D679 | L671-S675 VanDerWaalsContact O-CB 3.27Å; L671-S675 WeakPolarHBondContact O-CB 3.4Å; L671-S675 PolarHBondContact O-N 3.49Å; L671-S675 PolarHBondContact O-OG 3.4Å; E672-S675 PolarHBondContact O-OG 3.4Å; L673-S675 PolarHBondContact O-N 3.48Å; S675-D679 PolarHBondContact O-N 2.89Å |
| 676 | R | 74.4 | Confident | 72.8 | Confident | 151 Ų | 151 | 117.3 Ų | 117.3 | 57% | 0.57 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -84.1 | -33.7 | 175.1 | 179.4 | 177.1 | 165.8 | -156.1 | -12.2 | 112.3 | E672 L673 E674 E678 D679 E680 | E672-R676 PolarHBondContact O-N 2.85Å; L673-R676 WeakPolarHBondContact O-CB 3.28Å; L673-R676 PolarHBondContact O-N 2.9Å; L673-R676 VanDerWaalsContact O-N 3.09Å; E674-R676 PolarHBondContact O-N 3.23Å; R676-E678 VanDerWaalsContact C-N 3.25Å; R676-E678 PolarHBondContact O-N 3.34Å; R676-D679 PolarHBondContact O-N 2.88Å; R676-E680 IonicContact CZ-OE1 3.78Å; R676-E680 IonicContact NE-OE1 2.62Å; R676-E680 PolarHBondContact NE-OE1 3.45Å; R676-E680 IonicContact NH2-OE1 3.15Å; R676-E680 PolarHBondContact NH2-OE1 3.11Å; R676-E680 PolarHBondContact O-N 2.98Å |
| 677 | E | 65.3 | Low | 70.5 | Confident | 156 Ų | 156 | 118.2 Ų | 118.2 | 73% | 0.729 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.1 | -30.5 | 172.4 | -69.7 | -175.2 | -178.5 | 0 | 0 | 111.4 | L673 E674 G681 | L673-E677 PolarHBondContact O-N 3.46Å; E674-E677 PolarHBondContact O-N 3.13Å; E674-E677 VanDerWaalsContact O-N 3.17Å; E677-G681 PolarHBondContact O-N 2.95Å |
| 678 | E | 59.4 | Low | 68.4 | Low | 153 Ų | 153 | 120.6 Ų | 120.6 | 72% | 0.715 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -66.9 | -40 | 169.2 | -67 | -169.6 | 149.2 | 0 | 0 | 113.1 | E674 R676 G681 | E674-E678 PolarHBondContact O-N 2.97Å; E674-E678 VanDerWaalsContact O-N 3.15Å; R676-E678 VanDerWaalsContact C-N 3.25Å; R676-E678 PolarHBondContact O-N 3.34Å; E678-G681 PolarHBondContact O-N 3.35Å |
| 679 | D | 58.8 | Low | 66.5 | Low | 129 Ų | 129 | 121.8 Ų | 121.8 | 69% | 0.69 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.3 | -39.7 | -177.9 | -158.7 | 41.3 | 0 | 0 | 0 | 112.3 | S675 R676 G681 S682 | S675-D679 PolarHBondContact O-N 2.89Å; R676-D679 PolarHBondContact O-N 2.88Å; D679-G681 PolarHBondContact O-N 2.85Å; D679-S682 PolarHBondContact O-N 3.39Å; D679-S682 VanDerWaalsContact O-N 3.16Å |
| 680 | E | 57.2 | Low | 64.5 | Low | 138 Ų | 138 | 126.6 Ų | 126.6 | 65% | 0.645 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -9.5 | 172.7 | -71.8 | -172.5 | -145 | 0 | 0 | 113.2 | R676 S682 | R676-E680 IonicContact CZ-OE1 3.78Å; R676-E680 IonicContact NE-OE1 2.62Å; R676-E680 PolarHBondContact NE-OE1 3.45Å; R676-E680 IonicContact NH2-OE1 3.15Å; R676-E680 PolarHBondContact NH2-OE1 3.11Å; R676-E680 PolarHBondContact O-N 2.98Å; E680-S682 VanDerWaalsContact C-N 3.33Å |
| 681 | G | 53.4 | Low | 62.6 | Low | 64 Ų | 64 | 131.2 Ų | 131.2 | 66% | 0.66 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -14.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E677 E678 D679 G683 | E677-G681 PolarHBondContact O-N 2.95Å; E678-G681 PolarHBondContact O-N 3.35Å; D679-G681 PolarHBondContact O-N 2.85Å; G681-G683 PolarHBondContact O-N 3.43Å |
| 682 | S | 55.8 | Low | 60.8 | Low | 109 Ų | 109 | 130.8 Ų | 130.8 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -96.4 | 46.9 | -170.6 | -149.3 | 0 | 0 | 0 | 0 | 115.2 | D679 E680 | D679-S682 PolarHBondContact O-N 3.39Å; D679-S682 VanDerWaalsContact O-N 3.16Å; E680-S682 VanDerWaalsContact C-N 3.33Å |
| 683 | G | 55.5 | Low | 58.9 | Low | 54 Ų | 54 | 128.7 Ų | 128.7 | 56% | 0.557 | 70% | 0.702 | S | S | * | * | trans | 105.2 | 113.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | G681 | G681-G683 PolarHBondContact O-N 3.43Š| ||
| 684 | N | 50.7 | Low | 57.1 | Low | 153 Ų | 153 | 131.3 Ų | 131.3 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -166.7 | 70.4 | 132 | -96.3 | -36.7 | 0 | 0 | 0 | 109.5 | I686 | N684-I686 VanDerWaalsContact C-N 3.28Å; N684-I686 HydrophobicContact CB-CG1 4.48Å; N684-I686 PolarHBondContact O-N 3.32Å | ||
| 685 | E | 47.9 | Very low | 55.5 | Low | 200 Ų | 200 | 134.3 Ų | 134.3 | 94% | 0.935 | 74% | 0.737 | S | S | * | * | trans | -75.5 | 83.9 | 168.7 | -169 | 168.6 | -134 | 0 | 0 | 108.8 | N687 | E685-N687 PolarHBondContact O-N 3.2Å; E685-N687 VanDerWaalsContact O-N 3.11Å | ||
| 686 | I | 53.8 | Low | 53.9 | Low | 114 Ų | 114 | 142.6 Ų | 142.6 | 59% | 0.585 | 77% | 0.773 | S | S | * | * | trans | -72.5 | 103.7 | -179.5 | -60.3 | 175.5 | 0 | 0 | 0 | 108.6 | N684 F688 | N684-I686 VanDerWaalsContact C-N 3.28Å; N684-I686 HydrophobicContact CB-CG1 4.48Å; N684-I686 PolarHBondContact O-N 3.32Å; I686-F688 HydrophobicContact CB-CE2 4.13Å; I686-F688 HydrophobicContact CG2-CD2 4.1Å; I686-F688 HydrophobicContact CG2-CE2 3.75Å; I686-F688 HydrophobicContact CG2-CZ 4.07Å; I686-F688 WeakPolarHBondContact O-CD2 3.22Å | ||
| 687 | N | 45.8 | Very low | 52.8 | Low | 130 Ų | 130 | 142.2 Ų | 142.2 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | trans | -70.5 | 129.7 | 170.4 | -172 | -4.5 | 0 | 0 | 0 | 109.9 | E685 D689 | E685-N687 PolarHBondContact O-N 3.2Å; E685-N687 VanDerWaalsContact O-N 3.11Å; N687-D689 PolarHBondContact OD1-N 3.48Å | ||
| 688 | F | 51.3 | Low | 52.2 | Low | 174 Ų | 174 | 141.5 Ų | 141.5 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -102.6 | 3 | -169.1 | -92.6 | -82.2 | 0 | 0 | 0 | 115.1 | I686 E690 | I686-F688 HydrophobicContact CB-CE2 4.13Å; I686-F688 HydrophobicContact CG2-CD2 4.1Å; I686-F688 HydrophobicContact CG2-CE2 3.75Å; I686-F688 HydrophobicContact CG2-CZ 4.07Å; I686-F688 WeakPolarHBondContact O-CD2 3.22Å; F688-E690 PolarHBondContact O-N 3.32Å | ||
| 689 | D | 53.8 | Low | 51.8 | Low | 147 Ų | 147 | 140.8 Ų | 140.8 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -5.9 | -169.1 | -78.1 | -13.3 | 0 | 0 | 0 | 116.3 | N687 | N687-D689 PolarHBondContact OD1-N 3.48Š|
| 690 | E | 52.7 | Low | 51.4 | Low | 189 Ų | 189 | 141.5 Ų | 141.5 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | 31.5 | -167.3 | -149.1 | 176.2 | -160.2 | 0 | 0 | 116.3 | F688 | F688-E690 PolarHBondContact O-N 3.32Š|
| 691 | I | 51.9 | Low | 51 | Low | 172 Ų | 172 | 141.8 Ų | 141.8 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -127.6 | 64.5 | 169.1 | -44.8 | -178.3 | 0 | 0 | 0 | 111.2 | ||||
| 692 | A | 51.8 | Low | 50.8 | Low | 100 Ų | 100 | 146.9 Ų | 146.9 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -129.2 | 23.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 693 | A | 51.8 | Low | 50.5 | Low | 89 Ų | 89 | 149.6 Ų | 149.6 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | -158.7 | 112.4 | 169 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 694 | T | 47.9 | Very low | 50.1 | Low | 150 Ų | 150 | 157 Ų | 157 | 92% | 0.92 | 84% | 0.84 | S | S | * | * | -166.7 | 120.7 | 116.2 | 28.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 695 | E | 48.8 | Very low | 50 | Low | 183 Ų | 183 | 157.3 Ų | 157.3 | 86% | 0.855 | 84% | 0.841 | S | S | * | * | trans | -86.2 | 136.8 | 168.1 | 172.9 | -177 | -173.3 | 0 | 0 | 109.5 | ||||
| 696 | I | 42.9 | Very low | 50.2 | Low | 240 Ų | 240 | 153.5 Ų | 153.5 | 100% | 1.231 | 83% | 0.833 | S | S | * | * | trans | 168.3 | 0 | 144.4 | -86.3 | 155.5 | 0 | 0 | 0 | 109.2 |
Retrieved 696 of 696 residues in 123.3 ms
(Link to these results)