| 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 | 33.3 | Very low | 38.8 | Very low | 236 Ų | 236 | 131.7 Ų | 131.7 | 100% | 1.163 | 76% | 0.757 | S | S | * | * | 0 | 128.1 | 0 | -69.7 | -59.2 | -160.1 | 0 | 0 | 105.6 | |||||
| 2 | A | 37 | Very low | 38.6 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 69% | 0.686 | 77% | 0.77 | S | S | * | * | trans | 61 | 145.8 | -165.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | T | 39.5 | Very low | 38.2 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | cis | 73.5 | 142.1 | 22.6 | 87.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 4 | D | 38.2 | Very low | 37.8 | Very low | 131 Ų | 131 | 142.9 Ų | 142.9 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | -127.6 | 166.7 | 5.6 | -76.8 | -82.4 | 0 | 0 | 0 | 110.3 | ||||
| 5 | L | 46.9 | Very low | 37.6 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | cis | 83.3 | 137.9 | 26.2 | -89.3 | 175.6 | 0 | 0 | 0 | 118 | ||||
| 6 | S | 41.8 | Very low | 37.9 | Very low | 97 Ų | 97 | 140.1 Ų | 140.1 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | trans | 67.3 | 155.7 | 160.4 | 90 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 7 | E | 37.3 | Very low | 38.3 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | cis | -164.1 | 173.2 | -15.8 | -121.4 | 166 | 72.4 | 0 | 0 | 108.8 | ||||
| 8 | A | 33.4 | Very low | 38 | Very low | 86 Ų | 86 | 139.1 Ų | 139.1 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | cis | -153.8 | 178.8 | 3.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 9 | E | 34.3 | Very low | 37.9 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -116.3 | 164.4 | 156.5 | -131.1 | -164 | -136.8 | 0 | 0 | 107.1 | ||||
| 10 | P | 49.2 | Very low | 37.6 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | -158.5 | 173.1 | 62 | 43 | -21.3 | 0 | 0 | 0 | 119 | |||||
| 11 | V | 35.9 | Very low | 37.3 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 56% | 0.558 | 77% | 0.766 | S | S | * | * | trans | 49.8 | 127.7 | 140.9 | 170.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 12 | H | 36.7 | Very low | 37.3 | Very low | 198 Ų | 198 | 128.5 Ų | 128.5 | 92% | 0.917 | 75% | 0.749 | S | S | * | * | -144.3 | 165.7 | 130 | -121.1 | -90.7 | 0 | 0 | 0 | 112.5 | |||||
| 13 | H | 33 | Very low | 37.2 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | -116.6 | 162.6 | -152.9 | -95.3 | -79.2 | 0 | 0 | 0 | 116.9 | ||||
| 14 | K | 32.7 | Very low | 36.8 | Very low | 203 Ų | 203 | 133.3 Ų | 133.3 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | trans | 82.7 | 156.5 | 146.3 | -83.8 | 169.8 | 178.2 | 177.3 | 0 | 120 | ||||
| 15 | A | 35.6 | Very low | 36.8 | Very low | 87 Ų | 87 | 135.2 Ų | 135.2 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | trans | -140.6 | 162 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 16 | L | 41 | Very low | 36 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | trans | 68.2 | 135.9 | 174.8 | -51.1 | 179.6 | 0 | 0 | 0 | 116.8 | ||||
| 17 | P | 46 | Very low | 35.6 | Very low | 113 Ų | 113 | 137.5 Ų | 137.5 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | -103.7 | 161.6 | 104.8 | -17.9 | 35.4 | 0 | 0 | 0 | 112.4 | |||||
| 18 | L | 32.8 | Very low | 35.2 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | cis | 72.3 | 142.7 | 32.9 | -47.7 | 176 | 0 | 0 | 0 | 112.5 | ||||
| 19 | L | 34.8 | Very low | 35.4 | Very low | 132 Ų | 132 | 138 Ų | 138 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | cis | -164.3 | 169.4 | 6 | -154.2 | 74.9 | 0 | 0 | 0 | 111.7 | ||||
| 20 | T | 31.7 | Very low | 35.3 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | 64.1 | 158.1 | 153.2 | 35.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 21 | G | 31.6 | Very low | 34.5 | Very low | 71 Ų | 71 | 135.8 Ų | 135.8 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | cis | -178.3 | 161.8 | -1.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 22 | A | 33.9 | Very low | 34.3 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | trans | -65.7 | 158.3 | -165.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 23 | Q | 34.2 | Very low | 34.2 | Very low | 175 Ų | 175 | 139.2 Ų | 139.2 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | -177.2 | 151.5 | 107.1 | -97.6 | -166.9 | 29.5 | 0 | 0 | 116.3 | |||||
| 24 | L | 32.2 | Very low | 34.4 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | trans | 29 | 133.7 | 150.7 | -80.2 | 162 | 0 | 0 | 0 | 123.9 | ||||
| 25 | I | 37.5 | Very low | 34.4 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | -164.5 | 153.7 | 109.9 | -95.4 | 156.3 | 0 | 0 | 0 | 109.9 | |||||
| 26 | H | 30.4 | Very low | 34.5 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -90.5 | 152 | -178.1 | -83.6 | -117.2 | 0 | 0 | 0 | 114.1 | ||||
| 27 | T | 33.7 | Very low | 34.1 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | -161.6 | 134.7 | 120.1 | 44.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 28 | D | 29.6 | Very low | 33.6 | Very low | 121 Ų | 121 | 139 Ų | 139 | 65% | 0.647 | 76% | 0.755 | S | S | * | * | trans | 25.2 | 142.5 | 141.4 | -77.1 | 22.2 | 0 | 0 | 0 | 121.7 | ||||
| 29 | K | 37.1 | Very low | 33.8 | Very low | 160 Ų | 160 | 140.6 Ų | 140.6 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | cis | -163.5 | 154.6 | 19.4 | -131 | 165.2 | -176.8 | 122.1 | 0 | 113.9 | ||||
| 30 | L | 32.7 | Very low | 34.4 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | 55.7 | 98.4 | 154.9 | -71.1 | 157.6 | 0 | 0 | 0 | 117.2 | ||||
| 31 | S | 31 | Very low | 34.8 | Very low | 89 Ų | 89 | 141.3 Ų | 141.3 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | 90.6 | 102.1 | 75.5 | 67.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 32 | E | 32.7 | Very low | 34.9 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | 78 | 106.6 | 73.8 | -175.7 | -169.5 | 156.8 | 0 | 0 | 112.6 | |||||
| 33 | K | 33.3 | Very low | 34.9 | Very low | 193 Ų | 193 | 155.1 Ų | 155.1 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | -152.2 | 152.4 | 103.3 | -101.2 | -165.9 | 175.6 | -149.7 | 0 | 112.3 | |||||
| 34 | V | 37.2 | Very low | 35 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -115.8 | 152.6 | 179.3 | 172.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 35 | E | 33.5 | Very low | 34.9 | Very low | 178 Ų | 178 | 153.2 Ų | 153.2 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | 156.6 | 106.2 | 148.9 | -85.5 | 153 | -159.7 | 0 | 0 | 106.2 | ||||
| 36 | D | 38.4 | Very low | 34.7 | Very low | 153 Ų | 153 | 152.5 Ų | 152.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | 48.6 | 104.4 | 82.9 | -92.3 | -41.3 | 0 | 0 | 0 | 113.6 | |||||
| 37 | D | 31.3 | Very low | 34.9 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | -162.8 | 149.5 | 116 | -141.4 | -16.4 | 0 | 0 | 0 | 115.1 | |||||
| 38 | T | 35.6 | Very low | 34.8 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 68% | 0.681 | 78% | 0.783 | S | S | * | * | trans | 23.5 | 126.8 | 144.1 | -67.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 39 | M | 37.8 | Very low | 34.8 | Very low | 182 Ų | 182 | 150 Ų | 150 | 90% | 0.897 | 80% | 0.797 | S | S | * | * | trans | -68 | 147.4 | 158.3 | -61 | 178.9 | -70.5 | 0 | 0 | 112.8 | ||||
| 40 | P | 48 | Very low | 34.6 | Very low | 122 Ų | 122 | 153.3 Ų | 153.3 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -131.1 | 148.6 | 140.9 | 32.4 | -19.6 | 0 | 0 | 0 | 116.1 | ||||
| 41 | I | 38.8 | Very low | 34.4 | Very low | 157 Ų | 157 | 155.5 Ų | 155.5 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | trans | -78.1 | 132.3 | 179.6 | -56.2 | 157 | 0 | 0 | 0 | 111.1 | ||||
| 42 | R | 34.3 | Very low | 34.5 | Very low | 230 Ų | 230 | 157 Ų | 157 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | trans | -179.6 | 127.4 | 136.6 | -92.8 | 142.7 | -155 | -134.7 | 6.8 | 110.6 | ||||
| 43 | R | 34.3 | Very low | 35.3 | Very low | 228 Ų | 228 | 154.3 Ų | 154.3 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | 75.9 | 95 | 77.9 | -114.2 | -178.6 | 177.6 | 156.3 | -1.8 | 114.8 | |||||
| 44 | S | 35 | Very low | 35.7 | Very low | 101 Ų | 101 | 151.5 Ų | 151.5 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | 28.9 | 131.6 | 135.6 | 60.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 45 | V | 31 | Very low | 35.3 | Very low | 158 Ų | 158 | 155.9 Ų | 155.9 | 96% | 0.958 | 83% | 0.825 | S | S | * | * | -164.5 | 179.5 | 115.4 | -94 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 46 | N | 32.6 | Very low | 35.2 | Very low | 155 Ų | 155 | 153.2 Ų | 153.2 | 83% | 0.829 | 83% | 0.826 | S | S | * | * | trans | -143.8 | 108.3 | -164.2 | 177.6 | 110.6 | 0 | 0 | 0 | 113.2 | ||||
| 47 | S | 34.2 | Very low | 35 | Very low | 111 Ų | 111 | 155.3 Ų | 155.3 | 78% | 0.776 | 83% | 0.828 | S | S | * | * | trans | -164.9 | 136.2 | 160.4 | 43.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 48 | S | 32.6 | Very low | 35.5 | Very low | 113 Ų | 113 | 154.1 Ų | 154.1 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | cis | 74.2 | 94.4 | 45.9 | -176.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 49 | S | 29.8 | Very low | 35.3 | Very low | 135 Ų | 135 | 152.5 Ų | 152.5 | 94% | 0.944 | 83% | 0.826 | S | S | * | * | trans | -161.7 | 163.9 | 142.2 | -117.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 50 | R | 32.3 | Very low | 34.8 | Very low | 230 Ų | 230 | 153.5 Ų | 153.5 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | -118.1 | 137.4 | -164.4 | 146.9 | -159 | 176 | -166.7 | 1.4 | 109.8 | ||||
| 51 | E | 28.1 | Very low | 33.9 | Very low | 189 Ų | 189 | 151.3 Ų | 151.3 | 88% | 0.883 | 83% | 0.828 | S | S | * | * | trans | -159.4 | 154.7 | 156.7 | -126.1 | -179.1 | 125.4 | 0 | 0 | 114.8 | ||||
| 52 | T | 34 | Very low | 33.4 | Very low | 122 Ų | 122 | 153.3 Ų | 153.3 | 75% | 0.748 | 83% | 0.834 | S | S | * | * | trans | -170.4 | 160.9 | -177.9 | 54.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 53 | P | 48.8 | Very low | 33.3 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 71% | 0.714 | 83% | 0.827 | S | S | * | * | cis | -125.3 | -166.1 | -46.4 | 41.1 | -26.6 | 0 | 0 | 0 | 110 | ||||
| 54 | P | 42.2 | Very low | 33.3 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | trans | -128.7 | -176.7 | 143.2 | 34.2 | -21.7 | 0 | 0 | 0 | 113.8 | ||||
| 55 | K | 29.3 | Very low | 33.2 | Very low | 206 Ų | 206 | 148.9 Ų | 148.9 | 90% | 0.896 | 83% | 0.828 | S | S | * | * | trans | -152.5 | 128.5 | -151.2 | 171.6 | -172.1 | 178.4 | -175 | 0 | 112.2 | ||||
| 56 | S | 30.7 | Very low | 33.1 | Very low | 122 Ų | 122 | 145 Ų | 145 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -155.5 | 151.2 | 169.1 | 46.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 57 | K | 34.5 | Very low | 33 | Very low | 198 Ų | 198 | 144.5 Ų | 144.5 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -151.3 | 172.6 | 175.9 | -116.3 | -165.8 | -179.6 | -164.1 | 0 | 106 | ||||
| 58 | P | 41.6 | Very low | 34 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | cis | -113.3 | -130.9 | 31.4 | 23.3 | 2.5 | 0 | 0 | 0 | 111 | ||||
| 59 | A | 30.8 | Very low | 33.8 | Very low | 77 Ų | 77 | 147.6 Ų | 147.6 | 64% | 0.636 | 81% | 0.81 | S | S | * | * | cis | -157.6 | 164.4 | -1.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 60 | E | 27.7 | Very low | 33.8 | Very low | 204 Ų | 204 | 147 Ų | 147 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | trans | 58.9 | 154.3 | 174.7 | -56.2 | 177.3 | 133.8 | 0 | 0 | 114.8 | ||||
| 61 | G | 29.4 | Very low | 33.5 | Very low | 76 Ų | 76 | 141.2 Ų | 141.2 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | cis | -155.1 | 173.9 | -19.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 62 | E | 28.7 | Very low | 33.9 | Very low | 198 Ų | 198 | 136.4 Ų | 136.4 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | cis | -147.5 | -145.6 | 2.8 | -161.6 | 162.6 | 82 | 0 | 0 | 108.8 | ||||
| 63 | E | 32.7 | Very low | 34 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | trans | -137.3 | 148.5 | -165.6 | -60.7 | -161.4 | 129.1 | 0 | 0 | 115.4 | ||||
| 64 | V | 32.5 | Very low | 33.2 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -158.6 | 111.3 | 139.3 | -165.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 65 | K | 32.8 | Very low | 33.5 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | 55.7 | 142.1 | 83.3 | -82.6 | 176.2 | 176.9 | 161.2 | 0 | 116.2 | |||||
| 66 | A | 29.9 | Very low | 33.5 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | cis | -164 | 134.1 | -2.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 67 | D | 30 | Very low | 33.4 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | 89 | 173.5 | 93.1 | -62.7 | -60.9 | 0 | 0 | 0 | 115.3 | |||||
| 68 | P | 55.5 | Low | 33.1 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | -140.5 | -153.6 | -81 | 44.9 | -25.9 | 0 | 0 | 0 | 116.9 | |||||
| 69 | E | 29.2 | Very low | 32.6 | Very low | 177 Ų | 177 | 128.4 Ų | 128.4 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | 85.7 | 150.6 | 171.2 | -53.9 | -140.5 | 91.2 | 0 | 0 | 118.6 | ||||
| 70 | V | 29.3 | Very low | 32.6 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | cis | -142 | 160.5 | 25.6 | -61.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 71 | S | 26.4 | Very low | 32.9 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | 46.9 | 154.5 | 146.2 | -98.9 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 72 | S | 35.4 | Very low | 33 | Very low | 88 Ų | 88 | 135 Ų | 135 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | cis | -177.6 | 170.3 | -27.2 | 47.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 73 | E | 36.2 | Very low | 33 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | 72.3 | 126.7 | 171.5 | -57.7 | 175.8 | 96.1 | 0 | 0 | 116.5 | ||||
| 74 | E | 32.7 | Very low | 32.7 | Very low | 180 Ų | 180 | 133 Ų | 133 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | cis | 74 | 141.1 | 40.3 | -106.1 | -155.6 | 97.4 | 0 | 0 | 115.4 | ||||
| 75 | S | 48.8 | Very low | 32.5 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | cis | -160.8 | -169.8 | 6.4 | -155.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 76 | A | 29.7 | Very low | 32.1 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | trans | 78.3 | 141.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 77 | S | 28.5 | Very low | 32.1 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | cis | -169.7 | 163.4 | -15.9 | -168 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 78 | V | 28.4 | Very low | 32.6 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 75% | 0.745 | 75% | 0.748 | S | S | * | * | trans | 66.3 | 138.8 | 173.1 | 179.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 79 | G | 29.2 | Very low | 31.3 | Very low | 60 Ų | 60 | 132 Ų | 132 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | cis | 121.1 | 148.8 | 11.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 80 | E | 31.3 | Very low | 31.3 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | cis | -138.4 | 151.6 | -7.1 | -70.4 | 79.1 | 36.2 | 0 | 0 | 107.7 | ||||
| 81 | E | 33.8 | Very low | 31.2 | Very low | 182 Ų | 182 | 127.4 Ų | 127.4 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | 40.2 | 142.9 | 82.1 | -63.2 | -171 | -178.9 | 0 | 0 | 117.8 | |||||
| 82 | Q | 32.6 | Very low | 31.4 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 73% | 0.729 | 75% | 0.748 | S | S | * | * | cis | -164.2 | 171.5 | -32 | -164.9 | 179.1 | -102.6 | 0 | 0 | 108 | ||||
| 83 | E | 27.2 | Very low | 31 | Very low | 167 Ų | 167 | 132 Ų | 132 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | 72.5 | 179.1 | 158.9 | -49.9 | -170.9 | 164.7 | 0 | 0 | 119.2 | ||||
| 84 | N | 26.8 | Very low | 30.6 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | -166.9 | 171.8 | -68.6 | -173.9 | 31.6 | 0 | 0 | 0 | 108.6 | |||||
| 85 | E | 29.2 | Very low | 30.3 | Very low | 157 Ų | 157 | 125.9 Ų | 125.9 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | trans | 67 | 163.6 | 170.2 | -65.7 | -133.4 | 81.3 | 0 | 0 | 118.1 | ||||
| 86 | T | 25.1 | Very low | 29.3 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 61% | 0.607 | 75% | 0.751 | S | S | * | * | cis | -168.3 | 154 | -37.4 | -82.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 87 | L | 29.5 | Very low | 29.6 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | trans | 144.8 | 156.4 | 147.3 | -75.3 | 173.5 | 0 | 0 | 0 | 113.7 | ||||
| 88 | P | 39.7 | Very low | 29.4 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | trans | -135.2 | -174.4 | -146.9 | 44.3 | -27.8 | 0 | 0 | 0 | 117.2 | ||||
| 89 | A | 29 | Very low | 29.3 | Very low | 95 Ų | 95 | 136.4 Ų | 136.4 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | 73.8 | 147.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 90 | A | 29.5 | Very low | 29.5 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | cis | -166.7 | 151.6 | -20.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 91 | S | 26.7 | Very low | 29.1 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -175.1 | 115.9 | 148.6 | -81.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 92 | S | 30.9 | Very low | 28.6 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | 48.3 | 135.2 | 134 | 64.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 93 | E | 25.4 | Very low | 28.2 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | cis | -156.6 | 173.2 | 9.2 | -154.7 | 146.7 | 90.1 | 0 | 0 | 113.3 | ||||
| 94 | A | 28.8 | Very low | 28 | Very low | 75 Ų | 75 | 135.2 Ų | 135.2 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | trans | -52.2 | 171.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 95 | E | 27.3 | Very low | 28.2 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | cis | -164.6 | 145.7 | -16.9 | -106.1 | 179.6 | 99 | 0 | 0 | 108.2 | ||||
| 96 | Q | 26.6 | Very low | 27.9 | Very low | 164 Ų | 164 | 133.6 Ų | 133.6 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | 52.2 | 155.9 | 94.6 | -76.2 | -157 | 79.7 | 0 | 0 | 118.6 | |||||
| 97 | P | 36.8 | Very low | 28.2 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 61% | 0.61 | 78% | 0.777 | S | S | * | * | cis | -146.8 | -171.6 | -36.3 | 42.9 | -25 | 0 | 0 | 0 | 115.7 | ||||
| 98 | K | 23.1 | Very low | 28 | Very low | 201 Ų | 201 | 135.1 Ų | 135.1 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | 78.7 | 150.3 | 149 | -79.8 | 176.9 | -179.5 | 177.5 | 0 | 124.1 | ||||
| 99 | E | 25.9 | Very low | 27.6 | Very low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | trans | -67 | 167.2 | 159.8 | -75.2 | 177.2 | 131.8 | 0 | 0 | 112.1 | ||||
| 100 | P | 34.1 | Very low | 27.4 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | cis | -152.9 | -150.7 | 43.9 | 46.2 | -22.8 | 0 | 0 | 0 | 117.3 | ||||
| 101 | E | 24.1 | Very low | 27.4 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -59.3 | 150.5 | -179.6 | -50.7 | 167.4 | 117.5 | 0 | 0 | 115.1 | ||||
| 102 | N | 22 | Very low | 27.4 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | 178.8 | 175 | 98.6 | -161.2 | 27.1 | 0 | 0 | 0 | 113.3 | |||||
| 103 | E | 24.9 | Very low | 27.4 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -50.4 | 154.5 | 174.4 | -58.8 | 165.4 | 134 | 0 | 0 | 116.5 | ||||
| 104 | G | 23.8 | Very low | 27.6 | Very low | 79 Ų | 79 | 140.2 Ų | 140.2 | 81% | 0.814 | 76% | 0.762 | S | S | * | * | trans | -177.3 | 100 | 168.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 105 | K | 29.2 | Very low | 27.9 | Very low | 185 Ų | 185 | 145.9 Ų | 145.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -61.1 | 144.8 | 173.4 | -93 | -174.3 | 169.5 | -167.8 | 0 | 112.8 | E107 | K105-E107 WeakPolarHBondContact CD-OE2 3.24Å; K105-E107 WeakPolarHBondContact CE-OE2 3.36Å; K105-E107 IonicContact NZ-OE2 2.7Å; K105-E107 PolarHBondContact NZ-OE2 2.9Å | ||
| 106 | G | 24.3 | Very low | 28 | Very low | 80 Ų | 80 | 144.9 Ų | 144.9 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -136.1 | 106.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 107 | E | 30 | Very low | 28.1 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -102.4 | 125 | 179.3 | -74 | 179.9 | 58.3 | 0 | 0 | 111.9 | K105 | K105-E107 WeakPolarHBondContact CD-OE2 3.24Å; K105-E107 WeakPolarHBondContact CE-OE2 3.36Å; K105-E107 IonicContact NZ-OE2 2.7Å; K105-E107 PolarHBondContact NZ-OE2 2.9Å | ||
| 108 | T | 26.6 | Very low | 27.8 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | trans | -136.4 | 112.9 | 159.6 | 27.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 109 | K | 30.6 | Very low | 27.9 | Very low | 193 Ų | 193 | 144.8 Ų | 144.8 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -42.4 | 161 | 155.1 | -76.3 | 171.5 | -177.8 | 174.2 | 0 | 113.5 | ||||
| 110 | S | 25.4 | Very low | 28 | Very low | 93 Ų | 93 | 142.5 Ų | 142.5 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | cis | -175.3 | -179.7 | -3.4 | 46.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 111 | S | 29.9 | Very low | 27.8 | Very low | 91 Ų | 91 | 145.9 Ų | 145.9 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | trans | 57.7 | 140.6 | 138.9 | 58.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 112 | E | 26.6 | Very low | 28 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | cis | -155.4 | -171 | 5.6 | -153.7 | 133.7 | 106.5 | 0 | 0 | 112.5 | ||||
| 113 | E | 29.1 | Very low | 28.5 | Very low | 162 Ų | 162 | 145 Ų | 145 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | -67.3 | 169.3 | -179.3 | -54.8 | -173.4 | 82.8 | 0 | 0 | 114.4 | ||||
| 114 | T | 29.5 | Very low | 29 | Very low | 93 Ų | 93 | 145.1 Ų | 145.1 | 57% | 0.571 | 76% | 0.763 | S | S | * | * | -172.7 | 150.6 | 51.4 | 16.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 115 | K | 35.3 | Very low | 29.5 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | 62.1 | 157.4 | 142.8 | -69.6 | 165.8 | -173.9 | 159.5 | 0 | 118.9 | ||||
| 116 | K | 30.1 | Very low | 30 | Very low | 141 Ų | 141 | 149.4 Ų | 149.4 | 61% | 0.613 | 76% | 0.761 | S | S | * | * | cis | -165.4 | 140.2 | -19.5 | 156 | 176.3 | -179.7 | -176.7 | 0 | 106.2 | E118 | K116-E118 WeakPolarHBondContact CE-OE2 3.36Å; K116-E118 IonicContact NZ-OE2 2.67Å; K116-E118 PolarHBondContact NZ-OE2 2.84Å | ||
| 117 | D | 28.9 | Very low | 30.7 | Very low | 153 Ų | 153 | 154.7 Ų | 154.7 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | -167.2 | 175.7 | 127.2 | -111.3 | -31.1 | 0 | 0 | 0 | 114.6 | |||||
| 118 | E | 29.8 | Very low | 31.2 | Very low | 135 Ų | 135 | 157.3 Ų | 157.3 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | trans | -128.5 | 151 | -143 | -158 | -177.7 | 115.7 | 0 | 0 | 114.5 | K116 | K116-E118 WeakPolarHBondContact CE-OE2 3.36Å; K116-E118 IonicContact NZ-OE2 2.67Å; K116-E118 PolarHBondContact NZ-OE2 2.84Å | ||
| 119 | K | 25.8 | Very low | 31.6 | Very low | 170 Ų | 170 | 156.3 Ų | 156.3 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | trans | 101.2 | 151.8 | 142.1 | -144.7 | 173.4 | 174.4 | 168.9 | 0 | 120.8 | ||||
| 120 | D | 27.4 | Very low | 32.8 | Very low | 134 Ų | 134 | 156.3 Ų | 156.3 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | 58.3 | 78.9 | 166.6 | -77.1 | -52.1 | 0 | 0 | 0 | 119.5 | ||||
| 121 | Q | 30 | Very low | 34.8 | Very low | 196 Ų | 196 | 158.5 Ų | 158.5 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -98.2 | 105.2 | 140.5 | -75.7 | -168.1 | 5.8 | 0 | 0 | 110.2 | K123 | Q121-K123 PolarHBondContact O-N 3.38Š| ||
| 122 | S | 29.2 | Very low | 37.1 | Very low | 109 Ų | 109 | 160.2 Ų | 160.2 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -68.8 | 113.6 | 173.9 | 45.6 | 0 | 0 | 0 | 0 | 110.5 | E124 | S122-E124 VanDerWaalsContact C-N 3.32Å; S122-E124 PolarHBondContact O-N 3.24Å | ||
| 123 | K | 32.6 | Very low | 39.6 | Very low | 191 Ų | 191 | 156 Ų | 156 | 83% | 0.83 | 75% | 0.751 | S | S | * | * | trans | -77 | 78.6 | -173.6 | -161.7 | 164.9 | -166.8 | 160.3 | 0 | 111.3 | Q121 K125 | Q121-K123 PolarHBondContact O-N 3.38Å; K123-K125 PolarHBondContact O-N 3.48Å | ||
| 124 | E | 34 | Very low | 42.1 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 84% | 0.841 | 72% | 0.719 | S | S | * | * | trans | -61.8 | 97.8 | -179.9 | -172.8 | 163.1 | -144.4 | 0 | 0 | 111 | S122 E126 | S122-E124 VanDerWaalsContact C-N 3.32Å; S122-E124 PolarHBondContact O-N 3.24Å; E124-E126 VanDerWaalsContact C-N 3.34Å; E124-E126 PolarHBondContact O-N 3.22Å | ||
| 125 | K | 34.3 | Very low | 44.5 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 78% | 0.778 | 73% | 0.728 | S | S | * | * | trans | -76.1 | 88.3 | 173.9 | -73 | -179.1 | 178.9 | 175.2 | 0 | 108.8 | K123 K127 | K123-K125 PolarHBondContact O-N 3.48Å; K125-K127 PolarHBondContact O-N 2.84Å | ||
| 126 | E | 39.9 | Very low | 46.8 | Very low | 174 Ų | 174 | 140.9 Ų | 140.9 | 81% | 0.813 | 69% | 0.693 | S | S | * | * | trans | -46.2 | 111.4 | 162.7 | -77.7 | -160.1 | 123.9 | 0 | 0 | 109.3 | E124 K128 | E124-E126 VanDerWaalsContact C-N 3.34Å; E124-E126 PolarHBondContact O-N 3.22Å; E126-K128 PolarHBondContact O-N 3.12Å | ||
| 127 | K | 38.7 | Very low | 49.3 | Very low | 191 Ų | 191 | 134.2 Ų | 134.2 | 83% | 0.83 | 66% | 0.664 | S | S | * | * | trans | -67.1 | 108 | 171.3 | -71 | 175.6 | -177.5 | 169.7 | 0 | 106.1 | K125 V129 | K125-K127 PolarHBondContact O-N 2.84Å; K127-V129 PolarHBondContact O-N 2.91Å | ||
| 128 | K | 40.8 | Very low | 51.5 | Low | 201 Ų | 201 | 129.3 Ų | 129.3 | 87% | 0.874 | 64% | 0.64 | S | S | * | * | trans | -59.7 | 84.6 | 172.6 | -68.6 | -172.7 | 178 | -175.3 | 0 | 109.8 | E126 K130 | E126-K128 PolarHBondContact O-N 3.12Å; K128-K130 PolarHBondContact O-N 3.45Å; K128-K130 VanDerWaalsContact O-N 3.13Å | ||
| 129 | V | 35.5 | Very low | 52.9 | Low | 124 Ų | 124 | 127.1 Ų | 127.1 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | trans | -56 | 117.9 | 165.2 | 178.2 | 0 | 0 | 0 | 0 | 105.3 | K127 K131 | K127-V129 PolarHBondContact O-N 2.91Å; V129-K131 PolarHBondContact O-N 3.46Å | ||
| 130 | K | 55.7 | Low | 54.5 | Low | 194 Ų | 194 | 120.7 Ų | 120.7 | 84% | 0.843 | 61% | 0.609 | S | S | * | * | trans | -62.1 | 103.6 | 174.5 | -64.8 | -179.6 | -179.6 | -178.4 | 0 | 106.3 | K128 T132 | K128-K130 PolarHBondContact O-N 3.45Å; K128-K130 VanDerWaalsContact O-N 3.13Å; K130-T132 PolarHBondContact O-N 3.21Å | ||
| 131 | K | 68.3 | Low | 55.9 | Low | 139 Ų | 139 | 118.2 Ų | 118.2 | 60% | 0.604 | 61% | 0.607 | S | S | * | * | trans | -52.9 | 114.2 | 176 | -70.6 | -179 | 175.5 | -177.7 | 0 | 107.1 | V129 I133 N394 | V129-K131 PolarHBondContact O-N 3.46Å; K131-I133 PolarHBondContact O-N 2.95Å; K131-I133 VanDerWaalsContact O-N 3.09Å; K131-N394 PolarHBondContact NZ-OD1 3.4Å | ||
| 132 | T | 76.7 | Confident | 57.2 | Low | 126 Ų | 126 | 112.1 Ų | 112.1 | 77% | 0.773 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 116.2 | 175.9 | -50.7 | 0 | 0 | 0 | 0 | 107.9 | K130 | K130-T132 PolarHBondContact O-N 3.21Š|
| 133 | I | 79.7 | Confident | 58.8 | Low | 89 Ų | 89 | 111 Ų | 111 | 46% | 0.456 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -79.6 | 128.1 | 171.8 | -56.4 | 175.8 | 0 | 0 | 0 | 106.1 | K131 A137 W396 | K131-I133 PolarHBondContact O-N 2.95Å; K131-I133 VanDerWaalsContact O-N 3.09Å; I133-A137 HydrophobicContact CG2-CB 4.06Å; I133-A137 WeakPolarHBondContact CG2-O 3.45Å; I133-W396 HydrophobicContact CB-CZ2 4.39Å; I133-W396 HydrophobicContact CG1-CZ2 4.37Å; I133-W396 HydrophobicContact CG2-CZ2 4.38Å |
| 134 | P | 82.5 | Confident | 60.2 | Low | 13 Ų | 13 | 105 Ų | 105 | 8% | 0.084 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 152.1 | 175.3 | 30 | -34.9 | 0 | 0 | 0 | 109.4 | W136 A137 T138 W396 | P134-W136 HydrophobicContact CG-CD2 4.36Å; P134-W136 HydrophobicContact CG-CZ2 4.17Å; P134-W136 PolarHBondContact O-N 3.42Å; P134-W136 VanDerWaalsContact O-N 3.09Å; P134-A137 HydrophobicContact CG-CB 3.75Å; P134-A137 PolarHBondContact O-N 2.9Å; P134-T138 PolarHBondContact O-OG1 3.15Å; P134-W396 VanDerWaalsContact CD-CZ2 3.44Å; P134-W396 HydrophobicContact CG-CD2 4.43Å; P134-W396 HydrophobicContact CG-CE3 4.08Å; P134-W396 HydrophobicContact CG-CH2 4.19Å; P134-W396 HydrophobicContact CG-CZ3 3.95Å |
| 135 | A | 80.3 | Confident | 61.4 | Low | 94 Ų | 94 | 98.4 Ų | 98.4 | 78% | 0.777 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -54.7 | -38 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T138 | A135-T138 WeakPolarHBondContact O-CB 3.44Å; A135-T138 PolarHBondContact O-N 2.86Å; A135-T138 PolarHBondContact O-OG1 3.09Å |
| 136 | W | 82.9 | Confident | 62.7 | Low | 25 Ų | 25 | 98.6 Ų | 98.6 | 10% | 0.095 | 52% | 0.517 | C | S | . | . | G | 310 helix | trans | -70.5 | -27.1 | 178.9 | 67.9 | -102.7 | 0 | 0 | 0 | 114.8 | P134 T138 E260 P264 W396 M397 L411 Y415 | P134-W136 HydrophobicContact CG-CD2 4.36Å; P134-W136 HydrophobicContact CG-CZ2 4.17Å; P134-W136 PolarHBondContact O-N 3.42Å; P134-W136 VanDerWaalsContact O-N 3.09Å; W136-T138 VanDerWaalsContact C-N 3.28Å; W136-E260 VanDerWaalsContact CZ2-O 3.29Å; W136-E260 WeakPolarHBondContact CZ2-O 3.32Å; W136-E260 PolarHBondContact NE1-O 3.43Å; W136-P264 HydrophobicContact CB-CG 4.12Å; W136-P264 HydrophobicContact CD2-CB 4.29Å; W136-P264 HydrophobicContact CD2-CG 3.18Å; W136-P264 HydrophobicContact CE3-CB 4.39Å; W136-P264 HydrophobicContact CE3-CG 3.58Å; W136-P264 HydrophobicContact CG-CB 4.4Å; W136-P264 HydrophobicContact CG-CG 3.44Å; W136-P264 VanDerWaalsContact CG-CG 3.44Å; W136-P264 HydrophobicContact CH2-CG 4.18Å; W136-P264 HydrophobicContact CZ2-CG 3.84Å; W136-P264 HydrophobicContact CZ3-CG 4.06Å; W136-W396 HydrophobicContact CH2-CB 4Å; W136-W396 HydrophobicContact CZ3-CB 4.31Å; W136-M397 HydrophobicContact CH2-CG 4.22Å; W136-M397 HydrophobicContact CH2-SD 4.4Å; W136-L411 HydrophobicContact CZ3-CD2 4.21Å; W136-Y415 HydrophobicContact CB-CD2 3.81Å; W136-Y415 HydrophobicContact CB-CE2 4.06Å |
| 137 | A | 82.1 | Confident | 63.6 | Low | 2 Ų | 2 | 92.5 Ų | 92.5 | 2% | 0.017 | 50% | 0.497 | C | S | . | . | G | 310 helix | trans | -95.4 | 18.1 | 180 | 0 | 0 | 0 | 0 | 0 | 112.4 | I133 P134 W396 F413 | I133-A137 HydrophobicContact CG2-CB 4.06Å; I133-A137 WeakPolarHBondContact CG2-O 3.45Å; P134-A137 HydrophobicContact CG-CB 3.75Å; P134-A137 PolarHBondContact O-N 2.9Å; A137-W396 HydrophobicContact CB-CB 3.87Å; A137-W396 HydrophobicContact CB-CD2 3.88Å; A137-W396 HydrophobicContact CB-CG 3.52Å; A137-F413 HydrophobicContact CB-CD2 4.26Å; A137-F413 WeakPolarHBondContact O-CE1 3.16Å; A137-F413 WeakPolarHBondContact O-CZ 3.48Å |
| 138 | T | 74.9 | Confident | 64.8 | Low | 50 Ų | 50 | 88.7 Ų | 88.7 | 31% | 0.307 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -91.7 | 150.2 | 171.2 | -52.7 | 0 | 0 | 0 | 0 | 108.6 | P134 A135 W136 L144 F413 | P134-T138 PolarHBondContact O-OG1 3.15Å; A135-T138 WeakPolarHBondContact O-CB 3.44Å; A135-T138 PolarHBondContact O-N 2.86Å; A135-T138 PolarHBondContact O-OG1 3.09Å; W136-T138 VanDerWaalsContact C-N 3.28Å; T138-L144 HydrophobicContact CG2-CD1 3.89Å; T138-L144 HydrophobicContact CG2-CD2 3.95Å; T138-L144 HydrophobicContact CG2-CG 4.29Å; T138-F413 WeakPolarHBondContact O-CD1 3.46Å |
| 139 | L | 59.8 | Low | 65.5 | Low | 89 Ų | 89 | 85.9 Ų | 85.9 | 47% | 0.466 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -48.7 | 146.4 | 173.8 | -69.3 | 168.8 | 0 | 0 | 0 | 111.2 | Q143 L144 F413 | L139-Q143 HydrophobicContact CB-CB 3.99Å; L139-L144 HydrophobicContact CB-CG 4.38Å; L139-L144 VanDerWaalsContact O-CD1 3.24Å; L139-L144 WeakPolarHBondContact O-CD1 3.36Å; L139-L144 WeakPolarHBondContact O-CG 3.45Å; L139-F413 HydrophobicContact CD2-CE1 4.03Å; L139-F413 HydrophobicContact CG-CE1 4.32Å |
| 140 | S | 59.4 | Low | 66.5 | Low | 35 Ų | 35 | 87.5 Ų | 87.5 | 25% | 0.245 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 152.6 | -176.8 | 69.4 | 0 | 0 | 0 | 0 | 111.8 | S142 Q143 L144 | S140-S142 PolarHBondContact O-N 3.48Å; S140-S142 PolarHBondContact OG-OG 2.93Å; S140-S142 VanDerWaalsContact OG-OG 3.08Å; S140-Q143 WeakPolarHBondContact O-CA 3.47Å; S140-Q143 PolarHBondContact O-N 2.93Å; S140-Q143 PolarHBondContact OG-OE1 3.38Å; S140-L144 PolarHBondContact O-N 3.11Å |
| 141 | A | 57.4 | Low | 66.5 | Low | 82 Ų | 82 | 83 Ų | 83 | 68% | 0.678 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -51.1 | -32.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | A145 | A141-A145 WeakPolarHBondContact O-CB 3.49Å; A141-A145 PolarHBondContact O-N 3.37Å |
| 142 | S | 56.7 | Low | 65.9 | Low | 68 Ų | 68 | 82.4 Ų | 82.4 | 48% | 0.476 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 175.1 | 77.2 | 0 | 0 | 0 | 0 | 114.1 | S140 R146 | S140-S142 PolarHBondContact O-N 3.48Å; S140-S142 PolarHBondContact OG-OG 2.93Å; S140-S142 VanDerWaalsContact OG-OG 3.08Å; S142-R146 VanDerWaalsContact O-CG 3.31Å; S142-R146 WeakPolarHBondContact O-CG 3.31Å; S142-R146 PolarHBondContact O-N 3.04Å; S142-R146 VanDerWaalsContact O-N 3.14Å |
| 143 | Q | 63.3 | Low | 64.5 | Low | 85 Ų | 85 | 84.1 Ų | 84.1 | 40% | 0.397 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -76.9 | -41 | 177.4 | -71 | 159.9 | -44 | 0 | 0 | 110.6 | L139 S140 R146 A147 | L139-Q143 HydrophobicContact CB-CB 3.99Å; S140-Q143 WeakPolarHBondContact O-CA 3.47Å; S140-Q143 PolarHBondContact O-N 2.93Å; S140-Q143 PolarHBondContact OG-OE1 3.38Å; Q143-R146 PolarHBondContact O-N 2.85Å; Q143-A147 PolarHBondContact O-N 3.11Å |
| 144 | L | 61.6 | Low | 63 | Low | 64 Ų | 64 | 83.8 Ų | 83.8 | 34% | 0.335 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.2 | -49.2 | 169.4 | -76.5 | 172.2 | 0 | 0 | 0 | 111.1 | T138 L139 S140 R146 A147 Q148 | T138-L144 HydrophobicContact CG2-CD1 3.89Å; T138-L144 HydrophobicContact CG2-CD2 3.95Å; T138-L144 HydrophobicContact CG2-CG 4.29Å; L139-L144 HydrophobicContact CB-CG 4.38Å; L139-L144 VanDerWaalsContact O-CD1 3.24Å; L139-L144 WeakPolarHBondContact O-CD1 3.36Å; L139-L144 WeakPolarHBondContact O-CG 3.45Å; S140-L144 PolarHBondContact O-N 3.11Å; L144-R146 VanDerWaalsContact C-N 3.29Å; L144-R146 PolarHBondContact O-N 2.85Å; L144-A147 PolarHBondContact O-N 3.05Å; L144-Q148 VanDerWaalsContact O-CB 3.24Å; L144-Q148 WeakPolarHBondContact O-CB 3.27Å; L144-Q148 VanDerWaalsContact O-CG 3.27Å; L144-Q148 WeakPolarHBondContact O-CG 3.25Å; L144-Q148 PolarHBondContact O-N 3.26Å |
| 145 | A | 58.3 | Low | 61.3 | Low | 42 Ų | 42 | 86.3 Ų | 86.3 | 35% | 0.347 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.6 | -35.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A141 K149 | A141-A145 WeakPolarHBondContact O-CB 3.49Å; A141-A145 PolarHBondContact O-N 3.37Å; A145-K149 WeakPolarHBondContact O-CB 3.42Å; A145-K149 WeakPolarHBondContact O-CG 2.99Å; A145-K149 PolarHBondContact O-N 2.87Å |
| 146 | R | 62.7 | Low | 59.6 | Low | 183 Ų | 183 | 85.3 Ų | 85.3 | 69% | 0.691 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.7 | -49.6 | 173.4 | -75.3 | 169.5 | 178.2 | 168.7 | -0.1 | 111.8 | S142 Q143 L144 Q148 K149 Q150 | S142-R146 VanDerWaalsContact O-CG 3.31Å; S142-R146 WeakPolarHBondContact O-CG 3.31Å; S142-R146 PolarHBondContact O-N 3.04Å; S142-R146 VanDerWaalsContact O-N 3.14Å; Q143-R146 PolarHBondContact O-N 2.85Å; L144-R146 VanDerWaalsContact C-N 3.29Å; L144-R146 PolarHBondContact O-N 2.85Å; R146-Q148 VanDerWaalsContact C-N 3.34Å; R146-Q148 PolarHBondContact O-N 2.84Å; R146-K149 PolarHBondContact O-N 3.49Å; R146-Q150 PolarHBondContact O-N 3.28Å |
| 147 | A | 58.2 | Low | 58.3 | Low | 47 Ų | 47 | 90.4 Ų | 90.4 | 39% | 0.388 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q143 L144 T151 | Q143-A147 PolarHBondContact O-N 3.11Å; L144-A147 PolarHBondContact O-N 3.05Å; A147-T151 WeakPolarHBondContact O-CB 3.36Å; A147-T151 PolarHBondContact O-N 2.99Å; A147-T151 PolarHBondContact O-OG1 3.03Å |
| 148 | Q | 63.4 | Low | 56.9 | Low | 110 Ų | 110 | 99.4 Ų | 99.4 | 51% | 0.514 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.3 | -44.4 | 174.1 | -75.9 | 177 | -26.2 | 0 | 0 | 111.5 | L144 R146 Q150 T151 Q152 | L144-Q148 VanDerWaalsContact O-CB 3.24Å; L144-Q148 WeakPolarHBondContact O-CB 3.27Å; L144-Q148 VanDerWaalsContact O-CG 3.27Å; L144-Q148 WeakPolarHBondContact O-CG 3.25Å; L144-Q148 PolarHBondContact O-N 3.26Å; R146-Q148 VanDerWaalsContact C-N 3.34Å; R146-Q148 PolarHBondContact O-N 2.84Å; Q148-Q150 VanDerWaalsContact C-N 3.33Å; Q148-Q150 PolarHBondContact O-N 2.85Å; Q148-T151 CarbonylContact O-C 3.4Å; Q148-T151 PolarHBondContact O-N 3.1Å; Q148-T151 VanDerWaalsContact O-N 3.11Å; Q148-Q152 WeakPolarHBondContact O-CB 3.41Å; Q148-Q152 VanDerWaalsContact O-CG 3.3Å; Q148-Q152 WeakPolarHBondContact O-CG 3.43Å; Q148-Q152 PolarHBondContact O-N 3.24Å |
| 149 | K | 55.7 | Low | 56.3 | Low | 142 Ų | 142 | 100.4 Ų | 100.4 | 62% | 0.617 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.4 | -43.2 | 173.9 | -80.6 | -174.3 | 175.8 | -168.7 | 0 | 111.6 | A145 R146 T151 Q152 M153 | A145-K149 WeakPolarHBondContact O-CB 3.42Å; A145-K149 WeakPolarHBondContact O-CG 2.99Å; A145-K149 PolarHBondContact O-N 2.87Å; R146-K149 PolarHBondContact O-N 3.49Å; K149-T151 VanDerWaalsContact C-N 3.29Å; K149-T151 PolarHBondContact O-N 3.29Å; K149-Q152 PolarHBondContact O-N 2.86Å; K149-M153 WeakPolarHBondContact O-CG 3.47Å; K149-M153 PolarHBondContact O-N 2.81Å |
| 150 | Q | 57.6 | Low | 57.2 | Low | 159 Ų | 159 | 103.9 Ų | 103.9 | 74% | 0.743 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.3 | -37 | 175 | -165.8 | 174.6 | 14.7 | 0 | 0 | 112.3 | R146 Q148 | R146-Q150 PolarHBondContact O-N 3.28Å; Q148-Q150 VanDerWaalsContact C-N 3.33Å; Q148-Q150 PolarHBondContact O-N 2.85Å |
| 151 | T | 55.7 | Low | 58.4 | Low | 98 Ų | 98 | 103.7 Ų | 103.7 | 60% | 0.601 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.6 | -35.7 | 175.6 | -52.9 | 0 | 0 | 0 | 0 | 112.7 | A147 Q148 K149 A154 A155 | A147-T151 WeakPolarHBondContact O-CB 3.36Å; A147-T151 PolarHBondContact O-N 2.99Å; A147-T151 PolarHBondContact O-OG1 3.03Å; Q148-T151 CarbonylContact O-C 3.4Å; Q148-T151 PolarHBondContact O-N 3.1Å; Q148-T151 VanDerWaalsContact O-N 3.11Å; K149-T151 VanDerWaalsContact C-N 3.29Å; K149-T151 PolarHBondContact O-N 3.29Å; T151-A154 PolarHBondContact O-N 2.64Å; T151-A155 PolarHBondContact O-N 3.07Å |
| 152 | Q | 55.4 | Low | 59.8 | Low | 127 Ų | 127 | 100.8 Ų | 100.8 | 59% | 0.593 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -72.4 | -34.4 | 179.8 | -77.3 | 174.4 | -7 | 0 | 0 | 111.9 | Q148 K149 A154 A155 | Q148-Q152 WeakPolarHBondContact O-CB 3.41Å; Q148-Q152 VanDerWaalsContact O-CG 3.3Å; Q148-Q152 WeakPolarHBondContact O-CG 3.43Å; Q148-Q152 PolarHBondContact O-N 3.24Å; K149-Q152 PolarHBondContact O-N 2.86Å; Q152-A154 PolarHBondContact O-N 3.28Å; Q152-A155 CarbonylContact O-C 3.44Å; Q152-A155 WeakPolarHBondContact O-CA 3.4Å; Q152-A155 WeakPolarHBondContact O-CB 3.37Å; Q152-A155 PolarHBondContact O-N 3.07Å |
| 153 | M | 45.8 | Very low | 61.3 | Low | 162 Ų | 162 | 100 Ų | 100 | 80% | 0.798 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63 | -30 | 172.4 | -69.6 | -66.4 | 158.6 | 0 | 0 | 112.5 | K149 | K149-M153 WeakPolarHBondContact O-CG 3.47Å; K149-M153 PolarHBondContact O-N 2.81Å |
| 154 | A | 48.4 | Very low | 62.5 | Low | 83 Ų | 83 | 96.1 Ų | 96.1 | 69% | 0.686 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -75.7 | -23.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T151 Q152 S156 | T151-A154 PolarHBondContact O-N 2.64Å; Q152-A154 PolarHBondContact O-N 3.28Å; A154-S156 PolarHBondContact O-N 2.99Å; A154-S156 VanDerWaalsContact O-N 3.09Å |
| 155 | A | 47.1 | Very low | 63.8 | Low | 66 Ų | 66 | 93.1 Ų | 93.1 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -85.2 | 49.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T151 Q152 | T151-A155 PolarHBondContact O-N 3.07Å; Q152-A155 CarbonylContact O-C 3.44Å; Q152-A155 WeakPolarHBondContact O-CA 3.4Å; Q152-A155 WeakPolarHBondContact O-CB 3.37Å; Q152-A155 PolarHBondContact O-N 3.07Å |
| 156 | S | 45.6 | Very low | 65.3 | Low | 72 Ų | 72 | 92.4 Ų | 92.4 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | trans | -52.4 | 158.1 | 179.7 | 64.5 | 0 | 0 | 0 | 0 | 114.2 | A154 R158 | A154-S156 PolarHBondContact O-N 2.99Å; A154-S156 VanDerWaalsContact O-N 3.09Å; S156-R158 VanDerWaalsContact C-N 3.33Å; S156-R158 PolarHBondContact O-N 3.06Å | ||
| 157 | S | 54.3 | Low | 66.7 | Low | 132 Ų | 132 | 86.6 Ų | 86.6 | 92% | 0.923 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -62.4 | 82.1 | -172.2 | -165.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 158 | R | 53.1 | Low | 68.3 | Low | 191 Ų | 191 | 84.4 Ų | 84.4 | 72% | 0.721 | 46% | 0.457 | S | S | * | . | trans | -139 | 124.5 | 171.3 | -60.5 | -175.5 | -171.5 | -108.6 | -0.7 | 108.2 | S156 K160 | S156-R158 VanDerWaalsContact C-N 3.33Å; S156-R158 PolarHBondContact O-N 3.06Å; R158-K160 PolarHBondContact O-N 3.37Å | ||
| 159 | P | 62.4 | Low | 69.6 | Low | 72 Ų | 72 | 79.2 Ų | 79.2 | 47% | 0.468 | 43% | 0.432 | S | S | . | . | trans | -60.6 | 127.6 | 177.4 | 23.8 | -31.5 | 0 | 0 | 0 | 109.6 | A163 I164 Y191 | P159-A163 HydrophobicContact CB-CB 4.43Å; P159-I164 HydrophobicContact CB-CG1 4Å; P159-I164 HydrophobicContact CG-CD1 4.11Å; P159-I164 HydrophobicContact CG-CG1 3.92Å; P159-I164 WeakPolarHBondContact O-CD1 3.26Å; P159-Y191 HydrophobicContact CG-CE1 4.42Å | ||
| 160 | K | 78 | Confident | 71.2 | Confident | 161 Ų | 161 | 79.3 Ų | 79.3 | 70% | 0.7 | 43% | 0.433 | S | S | * | . | trans | -62.9 | 149.1 | 178.3 | -68.4 | 170.8 | -176.9 | 166 | 0 | 109.1 | R158 D162 A163 I164 | R158-K160 PolarHBondContact O-N 3.37Å; K160-D162 PolarHBondContact O-N 3.32Å; K160-A163 WeakPolarHBondContact O-CB 3.39Å; K160-A163 PolarHBondContact O-N 2.91Å; K160-I164 PolarHBondContact O-N 3.35Å | ||
| 161 | M | 85.8 | Confident | 72.8 | Confident | 32 Ų | 32 | 74.5 Ų | 74.5 | 16% | 0.158 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -48.2 | -32.5 | -176.4 | -178 | 77.3 | -88.2 | 0 | 0 | 114 | I164 L165 I187 L194 A206 | M161-I164 HydrophobicContact CE-CB 3.99Å; M161-I164 HydrophobicContact CE-CG2 3.82Å; M161-L165 WeakPolarHBondContact O-CB 3.31Å; M161-L165 PolarHBondContact O-N 3.32Å; M161-I187 HydrophobicContact CE-CD1 4.08Å; M161-L194 HydrophobicContact CE-CD2 3.63Å; M161-L194 HydrophobicContact SD-CD2 3.64Å; M161-A206 HydrophobicContact CG-CB 3.49Å; M161-A206 VanDerWaalsContact CG-CB 3.49Å |
| 162 | D | 85.9 | Confident | 74.3 | Confident | 20 Ų | 20 | 71 Ų | 71 | 11% | 0.107 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -67.8 | -35.5 | 178.1 | -53.3 | -28.6 | 0 | 0 | 0 | 113 | K160 T166 R209 R213 | K160-D162 PolarHBondContact O-N 3.32Å; D162-T166 WeakPolarHBondContact O-CB 3.23Å; D162-T166 PolarHBondContact O-N 2.92Å; D162-T166 PolarHBondContact O-OG1 2.82Å; D162-R209 IonicContact OD1-CZ 2.65Å; D162-R209 VanDerWaalsContact OD1-CZ 3.3Å; D162-R209 IonicContact OD1-NE 2.89Å; D162-R209 PolarHBondContact OD1-NE 3.16Å; D162-R209 VanDerWaalsContact OD1-NE 3.12Å; D162-R209 IonicContact OD1-NH2 3.61Å; D162-R209 PolarHBondContact OD1-NH2 3.41Å; D162-R209 IonicContact OD2-CZ 3.12Å; D162-R209 IonicContact OD2-NE 3.62Å; D162-R209 PolarHBondContact OD2-NE 2.89Å; D162-R209 IonicContact OD2-NH2 3.81Å; D162-R209 PolarHBondContact OD2-NH2 3.07Å; D162-R213 IonicContact OD1-NH1 2.75Å; D162-R213 IonicContact OD2-CZ 3.29Å; D162-R213 IonicContact OD2-NH1 3.3Å; D162-R213 PolarHBondContact OD2-NH1 3.37Å; D162-R213 IonicContact OD2-NH2 3.8Å |
| 163 | A | 88 | Confident | 75.8 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 44% | 0.438 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -71.3 | -48 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P159 K160 L165 T166 E167 | P159-A163 HydrophobicContact CB-CB 4.43Å; K160-A163 WeakPolarHBondContact O-CB 3.39Å; K160-A163 PolarHBondContact O-N 2.91Å; A163-L165 PolarHBondContact O-N 2.9Å; A163-T166 PolarHBondContact O-N 2.8Å; A163-T166 VanDerWaalsContact O-N 3.16Å; A163-E167 WeakPolarHBondContact O-CB 3.25Å; A163-E167 PolarHBondContact O-N 2.95Å |
| 164 | I | 88.4 | Confident | 77.8 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 2% | 0.015 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -56 | -40.5 | 172.9 | -62.8 | 175.3 | 0 | 0 | 0 | 110.7 | P159 K160 M161 A168 I187 Y191 L194 | P159-I164 HydrophobicContact CB-CG1 4Å; P159-I164 HydrophobicContact CG-CD1 4.11Å; P159-I164 HydrophobicContact CG-CG1 3.92Å; P159-I164 WeakPolarHBondContact O-CD1 3.26Å; K160-I164 PolarHBondContact O-N 3.35Å; M161-I164 HydrophobicContact CE-CB 3.99Å; M161-I164 HydrophobicContact CE-CG2 3.82Å; I164-A168 VanDerWaalsContact O-CB 3.25Å; I164-A168 WeakPolarHBondContact O-CB 3.4Å; I164-A168 PolarHBondContact O-N 3.46Å; I164-I187 HydrophobicContact CG2-CB 4.41Å; I164-I187 HydrophobicContact CG2-CD1 4.03Å; I164-I187 HydrophobicContact CG2-CG1 3.85Å; I164-I187 HydrophobicContact CG2-CG2 3.64Å; I164-Y191 HydrophobicContact CD1-CD1 4.46Å; I164-Y191 HydrophobicContact CD1-CG 4.41Å; I164-Y191 HydrophobicContact CG1-CE2 4.26Å; I164-Y191 HydrophobicContact CG2-CD2 3.71Å; I164-Y191 HydrophobicContact CG2-CE2 3.86Å; I164-Y191 HydrophobicContact CG2-CG 4.48Å; I164-L194 HydrophobicContact CD1-CD1 4.11Å; I164-L194 HydrophobicContact CD1-CD2 4.12Å |
| 165 | L | 89.6 | Confident | 79.3 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67 | -44.4 | 177.4 | 178.1 | 59.9 | 0 | 0 | 0 | 112.1 | M161 A163 A168 I169 I183 L203 A206 L207 E210 | M161-L165 WeakPolarHBondContact O-CB 3.31Å; M161-L165 PolarHBondContact O-N 3.32Å; A163-L165 PolarHBondContact O-N 2.9Å; L165-A168 PolarHBondContact O-N 3.39Å; L165-I169 HydrophobicContact CD1-CD1 3.84Å; L165-I169 HydrophobicContact CD1-CG1 4.23Å; L165-I169 HydrophobicContact CG-CD1 3.93Å; L165-I169 VanDerWaalsContact O-CG1 3.26Å; L165-I169 WeakPolarHBondContact O-CG1 3.26Å; L165-I169 PolarHBondContact O-N 3.44Å; L165-I183 HydrophobicContact CD1-CG2 3.73Å; L165-L203 HydrophobicContact CD1-CD1 3.79Å; L165-A206 HydrophobicContact CD2-CB 3.91Å; L165-L207 HydrophobicContact CD1-CD2 3.86Å; L165-L207 HydrophobicContact CD1-CG 4.16Å; L165-L207 HydrophobicContact CD2-CD2 4.11Å; L165-L207 HydrophobicContact CD2-CG 4.18Å; L165-E210 HydrophobicContact CD2-CB 4.26Å |
| 166 | T | 90.1 | Very high | 80.8 | Confident | 27 Ų | 27 | 74.9 Ų | 74.9 | 17% | 0.166 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 177.8 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | D162 A163 I169 K170 V230 | D162-T166 WeakPolarHBondContact O-CB 3.23Å; D162-T166 PolarHBondContact O-N 2.92Å; D162-T166 PolarHBondContact O-OG1 2.82Å; A163-T166 PolarHBondContact O-N 2.8Å; A163-T166 VanDerWaalsContact O-N 3.16Å; T166-I169 PolarHBondContact O-N 3.43Å; T166-K170 WeakPolarHBondContact O-CG 3.36Å; T166-K170 PolarHBondContact O-N 3.09Å; T166-K170 VanDerWaalsContact O-N 3.09Å; T166-V230 HydrophobicContact CG2-CG1 4.22Å; T166-V230 HydrophobicContact CG2-CG2 3.99Å |
| 167 | E | 91.5 | Very high | 82.7 | Confident | 62 Ų | 62 | 71.5 Ų | 71.5 | 29% | 0.29 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.7 | -50 | 173.1 | -179.4 | -174.1 | -167.5 | 0 | 0 | 111.7 | A163 I169 K170 A171 K190 Y191 | A163-E167 WeakPolarHBondContact O-CB 3.25Å; A163-E167 PolarHBondContact O-N 2.95Å; E167-I169 VanDerWaalsContact C-N 3.32Å; E167-I169 PolarHBondContact O-N 3.05Å; E167-K170 PolarHBondContact O-N 3.08Å; E167-K170 VanDerWaalsContact O-N 3.15Å; E167-A171 WeakPolarHBondContact O-CB 3.37Å; E167-A171 PolarHBondContact O-N 3.05Å; E167-K190 IonicContact OE1-NZ 2.64Å; E167-K190 PolarHBondContact OE1-NZ 3.32Å; E167-Y191 PolarHBondContact OE2-OH 3.3Å; E167-Y191 VanDerWaalsContact OE2-OH 3.07Å |
| 168 | A | 92 | Very high | 84.4 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.8 | -35.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I164 L165 C172 I183 Y186 I187 | I164-A168 VanDerWaalsContact O-CB 3.25Å; I164-A168 WeakPolarHBondContact O-CB 3.4Å; I164-A168 PolarHBondContact O-N 3.46Å; L165-A168 PolarHBondContact O-N 3.39Å; A168-C172 VanDerWaalsContact O-CB 3.27Å; A168-C172 WeakPolarHBondContact O-CB 3.26Å; A168-C172 PolarHBondContact O-N 2.97Å; A168-I183 HydrophobicContact CB-CG2 4.05Å; A168-Y186 HydrophobicContact CB-CD1 3.6Å; A168-Y186 HydrophobicContact CB-CE1 4.16Å; A168-Y186 HydrophobicContact CB-CG 4.35Å; A168-I187 HydrophobicContact CB-CD1 3.95Å; A168-I187 HydrophobicContact CB-CG1 3.73Å |
| 169 | I | 90.9 | Very high | 86.2 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70 | -35.6 | 175.3 | -67.7 | 165.9 | 0 | 0 | 0 | 111.3 | L165 T166 E167 F173 A178 I183 I216 F228 V230 | L165-I169 HydrophobicContact CD1-CD1 3.84Å; L165-I169 HydrophobicContact CD1-CG1 4.23Å; L165-I169 HydrophobicContact CG-CD1 3.93Å; L165-I169 VanDerWaalsContact O-CG1 3.26Å; L165-I169 WeakPolarHBondContact O-CG1 3.26Å; L165-I169 PolarHBondContact O-N 3.44Å; T166-I169 PolarHBondContact O-N 3.43Å; E167-I169 VanDerWaalsContact C-N 3.32Å; E167-I169 PolarHBondContact O-N 3.05Å; I169-F173 PolarHBondContact O-N 3.19Å; I169-A178 HydrophobicContact CB-CB 4.33Å; I169-A178 HydrophobicContact CG1-CB 4.4Å; I169-A178 HydrophobicContact CG2-CB 4.08Å; I169-I183 HydrophobicContact CD1-CD1 4.27Å; I169-I183 HydrophobicContact CG1-CD1 3.58Å; I169-I183 HydrophobicContact CG1-CG1 4Å; I169-I216 HydrophobicContact CD1-CB 4.46Å; I169-I216 HydrophobicContact CD1-CD1 4.03Å; I169-I216 HydrophobicContact CD1-CG2 3.78Å; I169-F228 HydrophobicContact CD1-CB 4.2Å; I169-V230 HydrophobicContact CB-CG2 4.02Å; I169-V230 HydrophobicContact CG2-CG2 3.7Å |
| 170 | K | 90.1 | Very high | 87.5 | Confident | 144 Ų | 144 | 55.6 Ų | 55.6 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.6 | -47.4 | 172.7 | -72.3 | 177.2 | 178 | -173.6 | 0 | 111.4 | T166 E167 F173 V230 | T166-K170 WeakPolarHBondContact O-CG 3.36Å; T166-K170 PolarHBondContact O-N 3.09Å; T166-K170 VanDerWaalsContact O-N 3.09Å; E167-K170 PolarHBondContact O-N 3.08Å; E167-K170 VanDerWaalsContact O-N 3.15Å; K170-F173 WeakPolarHBondContact O-CB 3.43Å; K170-F173 PolarHBondContact O-N 3.15Å; K170-V230 HydrophobicContact CG-CG2 4.24Å |
| 171 | A | 90.2 | Very high | 88.1 | Confident | 58 Ų | 58 | 53.4 Ų | 53.4 | 48% | 0.479 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -71.2 | -30.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | E167 Y186 | E167-A171 WeakPolarHBondContact O-CB 3.37Å; E167-A171 PolarHBondContact O-N 3.05Å; A171-Y186 HydrophobicContact CB-CD2 4.16Å; A171-Y186 HydrophobicContact CB-CE1 4.18Å; A171-Y186 HydrophobicContact CB-CE2 3.44Å; A171-Y186 VanDerWaalsContact CB-CE2 3.44Å; A171-Y186 VanDerWaalsContact CB-CZ 3.44Å; A171-Y186 WeakPolarHBondContact CB-OH 3.43Å |
| 172 | C | 88 | Confident | 88.3 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 17% | 0.169 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 22.4 | 174.9 | -63.7 | 0 | 0 | 0 | 0 | 113.4 | A168 Q174 A178 A182 Y186 | A168-C172 VanDerWaalsContact O-CB 3.27Å; A168-C172 WeakPolarHBondContact O-CB 3.26Å; A168-C172 PolarHBondContact O-N 2.97Å; C172-Q174 PolarHBondContact O-N 3.08Å; C172-A178 HydrophobicContact CB-CB 4.08Å; C172-A178 WeakPolarHBondContact O-CA 3.36Å; C172-A178 VanDerWaalsContact O-CB 3.24Å; C172-A178 WeakPolarHBondContact O-CB 3.43Å; C172-A182 HydrophobicContact CB-CB 3.99Å; C172-Y186 VanDerWaalsContact SG-CB 3.56Å |
| 173 | F | 87.4 | Confident | 88.5 | Confident | 121 Ų | 121 | 52.2 Ų | 52.2 | 53% | 0.531 | 29% | 0.285 | S | S | . | . | trans | -65.2 | 133.7 | 178.4 | -175.8 | -98.7 | 0 | 0 | 0 | 111.2 | I169 K170 V229 | I169-F173 PolarHBondContact O-N 3.19Å; K170-F173 WeakPolarHBondContact O-CB 3.43Å; K170-F173 PolarHBondContact O-N 3.15Å; F173-V229 HydrophobicContact CD2-CG2 4.39Å; F173-V229 HydrophobicContact CE2-CB 4.44Å; F173-V229 HydrophobicContact CE2-CG1 3.89Å; F173-V229 HydrophobicContact CE2-CG2 3.79Å | ||
| 174 | Q | 85.9 | Confident | 88.6 | Confident | 112 Ų | 112 | 53.9 Ų | 53.9 | 52% | 0.523 | 28% | 0.28 | S | S | . | . | trans | -131.5 | 170.4 | 176.1 | -66.5 | -174.9 | -25.6 | 0 | 0 | 108.9 | C172 S176 G177 | C172-Q174 PolarHBondContact O-N 3.08Å; Q174-S176 PolarHBondContact O-N 3.14Å; Q174-G177 PolarHBondContact O-N 3.37Å | ||
| 175 | K | 80.4 | Confident | 88.8 | Confident | 225 Ų | 225 | 61.3 Ų | 61.3 | 98% | 0.978 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -20.4 | 179.6 | -64.8 | -175.9 | 178.9 | -178.8 | 0 | 114.5 | ||
| 176 | S | 78.9 | Confident | 88.9 | Confident | 61 Ų | 61 | 64.2 Ų | 64.2 | 43% | 0.427 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 10.5 | 177 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | Q174 S227 | Q174-S176 PolarHBondContact O-N 3.14Å; S176-S227 WeakPolarHBondContact O-CB 3.33Å |
| 177 | G | 86.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | trans | 85.7 | 165.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q174 F228 V229 | Q174-G177 PolarHBondContact O-N 3.37Å; G177-F228 CarbonylContact C-O 3.44Å; G177-F228 WeakPolarHBondContact CA-O 3.24Å; G177-V229 VanDerWaalsContact CA-CG2 3.49Å | ||
| 178 | A | 89.9 | Confident | 88.9 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 126.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | I169 C172 I183 S227 F228 | I169-A178 HydrophobicContact CB-CB 4.33Å; I169-A178 HydrophobicContact CG1-CB 4.4Å; I169-A178 HydrophobicContact CG2-CB 4.08Å; C172-A178 HydrophobicContact CB-CB 4.08Å; C172-A178 WeakPolarHBondContact O-CA 3.36Å; C172-A178 VanDerWaalsContact O-CB 3.24Å; C172-A178 WeakPolarHBondContact O-CB 3.43Å; A178-I183 HydrophobicContact CB-CD1 4.03Å; A178-I183 HydrophobicContact CB-CG1 3.92Å; A178-S227 CarbonylContact O-C 3.54Å; A178-S227 WeakPolarHBondContact O-CA 3.44Å; A178-F228 PolarHBondContact N-O 2.91Å; A178-F228 PolarHBondContact O-N 3.34Å |
| 179 | S | 90.5 | Very high | 88.7 | Confident | 33 Ų | 33 | 70.1 Ų | 70.1 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 153.1 | 178.9 | 75.1 | 0 | 0 | 0 | 0 | 112.4 | V181 A182 I183 | S179-V181 PolarHBondContact O-N 2.85Å; S179-V181 VanDerWaalsContact O-N 3.11Å; S179-A182 PolarHBondContact O-N 3.41Å; S179-A182 VanDerWaalsContact O-N 3.11Å; S179-A182 PolarHBondContact OG-N 3.34Å; S179-I183 WeakPolarHBondContact O-CD1 3.38Å; S179-I183 VanDerWaalsContact O-CG1 3.25Å; S179-I183 WeakPolarHBondContact O-CG1 3.43Å; S179-I183 PolarHBondContact O-N 3.11Å |
| 180 | V | 89.3 | Confident | 88.7 | Confident | 28 Ų | 28 | 74.6 Ų | 74.6 | 17% | 0.17 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -52 | -36.1 | 175 | -177.4 | 0 | 0 | 0 | 0 | 112.4 | R184 L203 L207 A224 G226 F228 | V180-R184 VanDerWaalsContact O-CB 3.23Å; V180-R184 WeakPolarHBondContact O-CB 3.3Å; V180-R184 PolarHBondContact O-N 3.3Å; V180-L203 HydrophobicContact CG1-CD2 4.4Å; V180-L207 HydrophobicContact CG1-CD1 4.34Å; V180-L207 HydrophobicContact CG2-CD1 4.11Å; V180-A224 WeakPolarHBondContact CG2-O 3.44Å; V180-G226 PolarHBondContact N-O 3.39Å; V180-F228 HydrophobicContact CG2-CD2 4.41Å; V180-F228 HydrophobicContact CG2-CE2 3.68Å |
| 181 | V | 89.9 | Confident | 88.6 | Confident | 115 Ų | 115 | 70.1 Ų | 70.1 | 70% | 0.697 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -70.8 | -44.6 | -178.9 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | S179 R184 K185 | S179-V181 PolarHBondContact O-N 2.85Å; S179-V181 VanDerWaalsContact O-N 3.11Å; V181-R184 PolarHBondContact O-N 2.94Å; V181-K185 WeakPolarHBondContact O-CB 3.42Å; V181-K185 PolarHBondContact O-N 3.46Å |
| 182 | A | 90.2 | Very high | 88.2 | Confident | 27 Ų | 27 | 72 Ų | 72 | 22% | 0.223 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C172 S179 R184 K185 Y186 | C172-A182 HydrophobicContact CB-CB 3.99Å; S179-A182 PolarHBondContact O-N 3.41Å; S179-A182 VanDerWaalsContact O-N 3.11Å; S179-A182 PolarHBondContact OG-N 3.34Å; A182-R184 VanDerWaalsContact C-N 3.34Å; A182-R184 PolarHBondContact O-N 2.93Å; A182-K185 PolarHBondContact O-N 2.89Å; A182-Y186 WeakPolarHBondContact O-CB 3.19Å; A182-Y186 PolarHBondContact O-N 3.49Å |
| 183 | I | 91.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -56.7 | -47 | 175.6 | -64.3 | 161.6 | 0 | 0 | 0 | 110.6 | L165 A168 I169 A178 S179 Y186 I187 L203 F228 | L165-I183 HydrophobicContact CD1-CG2 3.73Å; A168-I183 HydrophobicContact CB-CG2 4.05Å; I169-I183 HydrophobicContact CD1-CD1 4.27Å; I169-I183 HydrophobicContact CG1-CD1 3.58Å; I169-I183 HydrophobicContact CG1-CG1 4Å; A178-I183 HydrophobicContact CB-CD1 4.03Å; A178-I183 HydrophobicContact CB-CG1 3.92Å; S179-I183 WeakPolarHBondContact O-CD1 3.38Å; S179-I183 VanDerWaalsContact O-CG1 3.25Å; S179-I183 WeakPolarHBondContact O-CG1 3.43Å; S179-I183 PolarHBondContact O-N 3.11Å; I183-Y186 PolarHBondContact O-N 2.91Å; I183-I187 HydrophobicContact CG2-CD1 3.71Å; I183-I187 VanDerWaalsContact O-CG1 3.26Å; I183-I187 WeakPolarHBondContact O-CG1 3.33Å; I183-I187 PolarHBondContact O-N 2.68Å; I183-L203 HydrophobicContact CG2-CD1 3.84Å; I183-L203 HydrophobicContact CG2-CD2 4.43Å; I183-F228 HydrophobicContact CD1-CD2 4.35Å |
| 184 | R | 90.1 | Very high | 87.5 | Confident | 88 Ų | 88 | 71.7 Ų | 71.7 | 33% | 0.332 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 176.8 | 176.8 | 179.1 | -77.1 | -168.8 | -7.3 | 111.5 | V180 V181 A182 Y186 I187 I188 L203 | V180-R184 VanDerWaalsContact O-CB 3.23Å; V180-R184 WeakPolarHBondContact O-CB 3.3Å; V180-R184 PolarHBondContact O-N 3.3Å; V181-R184 PolarHBondContact O-N 2.94Å; A182-R184 VanDerWaalsContact C-N 3.34Å; A182-R184 PolarHBondContact O-N 2.93Å; R184-Y186 VanDerWaalsContact C-N 3.34Å; R184-Y186 PolarHBondContact O-N 3.08Å; R184-I187 PolarHBondContact O-N 3.31Å; R184-I188 HydrophobicContact CG-CD1 3.64Å; R184-I188 HydrophobicContact CG-CG1 4.41Å; R184-I188 VanDerWaalsContact O-CG1 3.31Å; R184-I188 WeakPolarHBondContact O-CG1 3.34Å; R184-I188 PolarHBondContact O-N 3.43Å; R184-L203 HydrophobicContact CB-CD2 3.82Å; R184-L203 HydrophobicContact CG-CD2 4.49Å |
| 185 | K | 92.3 | Very high | 87.3 | Confident | 160 Ų | 160 | 69.3 Ų | 69.3 | 70% | 0.696 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.6 | -42.2 | -179.3 | -170.3 | 176.5 | -179 | -179.1 | 0 | 111.5 | V181 A182 H189 | V181-K185 WeakPolarHBondContact O-CB 3.42Å; V181-K185 PolarHBondContact O-N 3.46Å; A182-K185 PolarHBondContact O-N 2.89Å; K185-H189 WeakPolarHBondContact O-CB 3.34Å; K185-H189 PolarHBondContact O-N 3.03Å; K185-H189 VanDerWaalsContact O-N 3.07Å |
| 186 | Y | 91.4 | Very high | 87.5 | Confident | 60 Ų | 60 | 58.7 Ų | 58.7 | 24% | 0.235 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 176.5 | -174 | -91.2 | 0 | 0 | 0 | 112.3 | A168 A171 C172 A182 I183 R184 H189 K190 | A168-Y186 HydrophobicContact CB-CD1 3.6Å; A168-Y186 HydrophobicContact CB-CE1 4.16Å; A168-Y186 HydrophobicContact CB-CG 4.35Å; A171-Y186 HydrophobicContact CB-CD2 4.16Å; A171-Y186 HydrophobicContact CB-CE1 4.18Å; A171-Y186 HydrophobicContact CB-CE2 3.44Å; A171-Y186 VanDerWaalsContact CB-CE2 3.44Å; A171-Y186 VanDerWaalsContact CB-CZ 3.44Å; A171-Y186 WeakPolarHBondContact CB-OH 3.43Å; C172-Y186 VanDerWaalsContact SG-CB 3.56Å; A182-Y186 WeakPolarHBondContact O-CB 3.19Å; A182-Y186 PolarHBondContact O-N 3.49Å; I183-Y186 PolarHBondContact O-N 2.91Å; R184-Y186 VanDerWaalsContact C-N 3.34Å; R184-Y186 PolarHBondContact O-N 3.08Å; Y186-H189 PolarHBondContact O-N 3.42Å; Y186-K190 HydrophobicContact CE1-CB 4.35Å; Y186-K190 HydrophobicContact CE1-CD 3.64Å; Y186-K190 WeakPolarHBondContact O-CB 3.29Å; Y186-K190 PolarHBondContact O-N 3.44Å; Y186-K190 WeakPolarHBondContact OH-CD 3.35Å; Y186-K190 PolarHBondContact OH-NZ 3.13Å; Y186-K190 VanDerWaalsContact OH-NZ 3.12Å |
| 187 | I | 90.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.6 | -33.8 | -177 | -55.1 | 164.4 | 0 | 0 | 0 | 111.1 | M161 I164 A168 I183 R184 Y191 L194 L196 L203 | M161-I187 HydrophobicContact CE-CD1 4.08Å; I164-I187 HydrophobicContact CG2-CB 4.41Å; I164-I187 HydrophobicContact CG2-CD1 4.03Å; I164-I187 HydrophobicContact CG2-CG1 3.85Å; I164-I187 HydrophobicContact CG2-CG2 3.64Å; A168-I187 HydrophobicContact CB-CD1 3.95Å; A168-I187 HydrophobicContact CB-CG1 3.73Å; I183-I187 HydrophobicContact CG2-CD1 3.71Å; I183-I187 VanDerWaalsContact O-CG1 3.26Å; I183-I187 WeakPolarHBondContact O-CG1 3.33Å; I183-I187 PolarHBondContact O-N 2.68Å; R184-I187 PolarHBondContact O-N 3.31Å; I187-Y191 HydrophobicContact CG2-CD2 4.11Å; I187-Y191 CarbonylContact O-C 3.54Å; I187-Y191 VanDerWaalsContact O-C 3.27Å; I187-Y191 VanDerWaalsContact O-CA 3.26Å; I187-Y191 WeakPolarHBondContact O-CA 3.43Å; I187-Y191 WeakPolarHBondContact O-CB 3.49Å; I187-Y191 PolarHBondContact O-N 3.18Å; I187-L194 HydrophobicContact CG2-CD2 3.94Å; I187-L196 HydrophobicContact CB-CD1 3.76Å; I187-L196 HydrophobicContact CD1-CD1 4.35Å; I187-L196 HydrophobicContact CG2-CD1 3.4Å; I187-L196 VanDerWaalsContact CG2-CD1 3.4Å; I187-L203 HydrophobicContact CD1-CD1 4.21Å |
| 188 | I | 90.7 | Very high | 87.3 | Confident | 46 Ų | 46 | 72.6 Ų | 72.6 | 24% | 0.236 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.7 | -46 | 171.3 | -69.5 | 165.3 | 0 | 0 | 0 | 110.6 | R184 P192 L196 E197 | R184-I188 HydrophobicContact CG-CD1 3.64Å; R184-I188 HydrophobicContact CG-CG1 4.41Å; R184-I188 VanDerWaalsContact O-CG1 3.31Å; R184-I188 WeakPolarHBondContact O-CG1 3.34Å; R184-I188 PolarHBondContact O-N 3.43Å; I188-P192 WeakPolarHBondContact O-CA 3.2Å; I188-L196 HydrophobicContact CG1-CB 3.98Å; I188-E197 HydrophobicContact CD1-CG 3.66Å; I188-E197 HydrophobicContact CG1-CG 4.19Å; I188-E197 HydrophobicContact CG2-CG 4.46Å |
| 189 | H | 88.6 | Confident | 86.9 | Confident | 167 Ų | 167 | 78.2 Ų | 78.2 | 77% | 0.773 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -72.4 | -36.1 | -177.6 | -167.3 | -64.8 | 0 | 0 | 0 | 113.6 | K185 Y186 | K185-H189 WeakPolarHBondContact O-CB 3.34Å; K185-H189 PolarHBondContact O-N 3.03Å; K185-H189 VanDerWaalsContact O-N 3.07Å; Y186-H189 PolarHBondContact O-N 3.42Å |
| 190 | K | 90.3 | Very high | 86.4 | Confident | 95 Ų | 95 | 77 Ų | 77 | 41% | 0.413 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -92.2 | -26.8 | -177.3 | -164.1 | 173.5 | -170 | -177.1 | 0 | 113.7 | E167 Y186 | E167-K190 IonicContact OE1-NZ 2.64Å; E167-K190 PolarHBondContact OE1-NZ 3.32Å; Y186-K190 HydrophobicContact CE1-CB 4.35Å; Y186-K190 HydrophobicContact CE1-CD 3.64Å; Y186-K190 WeakPolarHBondContact O-CB 3.29Å; Y186-K190 PolarHBondContact O-N 3.44Å; Y186-K190 WeakPolarHBondContact OH-CD 3.35Å; Y186-K190 PolarHBondContact OH-NZ 3.13Å; Y186-K190 VanDerWaalsContact OH-NZ 3.12Å |
| 191 | Y | 87.1 | Confident | 86.3 | Confident | 50 Ų | 50 | 82.5 Ų | 82.5 | 20% | 0.196 | 39% | 0.391 | C | S | . | . | trans | -134.2 | 63.4 | -177.7 | -60.9 | -76.9 | 0 | 0 | 0 | 111.1 | P159 I164 E167 I187 S193 L194 | P159-Y191 HydrophobicContact CG-CE1 4.42Å; I164-Y191 HydrophobicContact CD1-CD1 4.46Å; I164-Y191 HydrophobicContact CD1-CG 4.41Å; I164-Y191 HydrophobicContact CG1-CE2 4.26Å; I164-Y191 HydrophobicContact CG2-CD2 3.71Å; I164-Y191 HydrophobicContact CG2-CE2 3.86Å; I164-Y191 HydrophobicContact CG2-CG 4.48Å; E167-Y191 PolarHBondContact OE2-OH 3.3Å; E167-Y191 VanDerWaalsContact OE2-OH 3.07Å; I187-Y191 HydrophobicContact CG2-CD2 4.11Å; I187-Y191 CarbonylContact O-C 3.54Å; I187-Y191 VanDerWaalsContact O-C 3.27Å; I187-Y191 VanDerWaalsContact O-CA 3.26Å; I187-Y191 WeakPolarHBondContact O-CA 3.43Å; I187-Y191 WeakPolarHBondContact O-CB 3.49Å; I187-Y191 PolarHBondContact O-N 3.18Å; Y191-S193 PolarHBondContact O-N 3.31Å; Y191-S193 VanDerWaalsContact O-N 3.09Å; Y191-L194 WeakPolarHBondContact O-CB 3.47Å; Y191-L194 PolarHBondContact O-N 3.01Å | ||
| 192 | P | 82.5 | Confident | 86.3 | Confident | 98 Ų | 98 | 79.5 Ų | 79.5 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -57.3 | -28.5 | 179.1 | 23 | -34 | 0 | 0 | 0 | 112.7 | I188 L194 E195 | I188-P192 WeakPolarHBondContact O-CA 3.2Å; P192-L194 PolarHBondContact O-N 2.98Å; P192-L194 VanDerWaalsContact O-N 3.08Å; P192-E195 PolarHBondContact O-N 2.98Å |
| 193 | S | 80.6 | Confident | 86.2 | Confident | 98 Ų | 98 | 78.2 Ų | 78.2 | 69% | 0.685 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -62.8 | -8.1 | 174.2 | 57.5 | 0 | 0 | 0 | 0 | 115.5 | Y191 | Y191-S193 PolarHBondContact O-N 3.31Å; Y191-S193 VanDerWaalsContact O-N 3.09Å |
| 194 | L | 81.2 | Confident | 86 | Confident | 42 Ų | 42 | 84.1 Ų | 84.1 | 22% | 0.22 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -85 | -11.3 | 171.5 | -111 | 71.2 | 0 | 0 | 0 | 114 | M161 I164 I187 Y191 P192 L196 | M161-L194 HydrophobicContact CE-CD2 3.63Å; M161-L194 HydrophobicContact SD-CD2 3.64Å; I164-L194 HydrophobicContact CD1-CD1 4.11Å; I164-L194 HydrophobicContact CD1-CD2 4.12Å; I187-L194 HydrophobicContact CG2-CD2 3.94Å; Y191-L194 WeakPolarHBondContact O-CB 3.47Å; Y191-L194 PolarHBondContact O-N 3.01Å; P192-L194 PolarHBondContact O-N 2.98Å; P192-L194 VanDerWaalsContact O-N 3.08Å; L194-L196 HydrophobicContact CB-CD1 4.43Å; L194-L196 HydrophobicContact CB-CG 4.3Å; L194-L196 HydrophobicContact CD2-CD1 4.1Å; L194-L196 PolarHBondContact O-N 3.35Å; L194-L196 VanDerWaalsContact O-N 3.15Å |
| 195 | E | 82 | Confident | 86 | Confident | 61 Ų | 61 | 85.8 Ų | 85.8 | 29% | 0.285 | 40% | 0.397 | S | S | . | . | trans | 50.4 | 37.8 | 177.9 | -155.2 | -171.7 | -162.4 | 0 | 0 | 113.8 | P192 E197 R198 R199 | P192-E195 PolarHBondContact O-N 2.98Å; E195-E197 PolarHBondContact O-N 2.72Å; E195-E197 VanDerWaalsContact O-N 3.08Å; E195-R198 HydrophobicContact CG-CB 4.29Å; E195-R198 HydrophobicContact CG-CG 4.42Å; E195-R198 PolarHBondContact O-N 3.18Å; E195-R198 VanDerWaalsContact O-N 3.14Å; E195-R198 WeakPolarHBondContact OE1-CD 3.48Å; E195-R198 IonicContact OE1-CZ 3.65Å; E195-R198 IonicContact OE1-NE 3.85Å; E195-R198 IonicContact OE1-NH1 2.68Å; E195-R198 PolarHBondContact OE1-NH1 3.32Å; E195-R199 HydrophobicContact CB-CG 4.33Å; E195-R199 WeakPolarHBondContact O-CB 3.48Å; E195-R199 PolarHBondContact O-N 3.25Å; E195-R199 IonicContact OE2-CZ 2.75Å; E195-R199 IonicContact OE2-NE 3.38Å; E195-R199 PolarHBondContact OE2-NE 3.16Å; E195-R199 IonicContact OE2-NH2 3.72Å; E195-R199 PolarHBondContact OE2-NH2 3.35Å | ||
| 196 | L | 83.3 | Confident | 85.8 | Confident | 3 Ų | 3 | 78.2 Ų | 78.2 | 2% | 0.016 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -12 | -168.7 | -97.6 | 171.1 | 0 | 0 | 0 | 115.5 | I187 I188 L194 G200 L202 L203 | I187-L196 HydrophobicContact CB-CD1 3.76Å; I187-L196 HydrophobicContact CD1-CD1 4.35Å; I187-L196 HydrophobicContact CG2-CD1 3.4Å; I187-L196 VanDerWaalsContact CG2-CD1 3.4Å; I188-L196 HydrophobicContact CG1-CB 3.98Å; L194-L196 HydrophobicContact CB-CD1 4.43Å; L194-L196 HydrophobicContact CB-CG 4.3Å; L194-L196 HydrophobicContact CD2-CD1 4.1Å; L194-L196 PolarHBondContact O-N 3.35Å; L194-L196 VanDerWaalsContact O-N 3.15Å; L196-G200 VanDerWaalsContact O-CA 3.3Å; L196-G200 WeakPolarHBondContact O-CA 3.44Å; L196-G200 PolarHBondContact O-N 3.2Å; L196-L202 HydrophobicContact CD2-CB 4.43Å; L196-L203 HydrophobicContact CD2-CB 3.77Å |
| 197 | E | 80.5 | Confident | 85.7 | Confident | 151 Ų | 151 | 75.4 Ų | 75.4 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -52.7 | 169.7 | -64 | 179.6 | 169.9 | 0 | 0 | 110.6 | I188 E195 | I188-E197 HydrophobicContact CD1-CG 3.66Å; I188-E197 HydrophobicContact CG1-CG 4.19Å; I188-E197 HydrophobicContact CG2-CG 4.46Å; E195-E197 PolarHBondContact O-N 2.72Å; E195-E197 VanDerWaalsContact O-N 3.08Å |
| 198 | R | 80.5 | Confident | 85.6 | Confident | 202 Ų | 202 | 81.2 Ų | 81.2 | 76% | 0.762 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -38.9 | 174.6 | -58 | -167.9 | -176.1 | 135.3 | -7.9 | 111.7 | E195 G200 | E195-R198 HydrophobicContact CG-CB 4.29Å; E195-R198 HydrophobicContact CG-CG 4.42Å; E195-R198 PolarHBondContact O-N 3.18Å; E195-R198 VanDerWaalsContact O-N 3.14Å; E195-R198 WeakPolarHBondContact OE1-CD 3.48Å; E195-R198 IonicContact OE1-CZ 3.65Å; E195-R198 IonicContact OE1-NE 3.85Å; E195-R198 IonicContact OE1-NH1 2.68Å; E195-R198 PolarHBondContact OE1-NH1 3.32Å; R198-G200 PolarHBondContact O-N 3.31Å |
| 199 | R | 82.4 | Confident | 85.5 | Confident | 118 Ų | 118 | 83.6 Ų | 83.6 | 45% | 0.445 | 39% | 0.385 | S | S | . | . | trans | -95.7 | 29.9 | -172.6 | -53.7 | -172.9 | -166 | -156.1 | 3.3 | 114.2 | E195 Y201 L202 | E195-R199 HydrophobicContact CB-CG 4.33Å; E195-R199 WeakPolarHBondContact O-CB 3.48Å; E195-R199 PolarHBondContact O-N 3.25Å; E195-R199 IonicContact OE2-CZ 2.75Å; E195-R199 IonicContact OE2-NE 3.38Å; E195-R199 PolarHBondContact OE2-NE 3.16Å; E195-R199 IonicContact OE2-NH2 3.72Å; E195-R199 PolarHBondContact OE2-NH2 3.35Å; R199-Y201 HydrophobicContact CB-CE1 4.08Å; R199-Y201 PolarHBondContact O-N 3.46Å; R199-L202 HydrophobicContact CB-CD1 3.76Å; R199-L202 HydrophobicContact CB-CG 4.24Å; R199-L202 WeakPolarHBondContact O-CB 2.77Å; R199-L202 PolarHBondContact O-N 2.7Å | ||
| 200 | G | 80.5 | Confident | 85.4 | Confident | 9 Ų | 9 | 76.1 Ų | 76.1 | 9% | 0.093 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -5.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | L196 R198 | L196-G200 VanDerWaalsContact O-CA 3.3Å; L196-G200 WeakPolarHBondContact O-CA 3.44Å; L196-G200 PolarHBondContact O-N 3.2Å; R198-G200 PolarHBondContact O-N 3.31Å |
| 201 | Y | 87 | Confident | 85.3 | Confident | 142 Ų | 142 | 73.9 Ų | 73.9 | 56% | 0.557 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -74.8 | -30.7 | 170 | 70.2 | -87.9 | 0 | 0 | 0 | 113 | R199 L203 K204 Q205 | R199-Y201 HydrophobicContact CB-CE1 4.08Å; R199-Y201 PolarHBondContact O-N 3.46Å; Y201-L203 VanDerWaalsContact C-N 3.33Å; Y201-L203 PolarHBondContact O-N 3.24Å; Y201-K204 WeakPolarHBondContact O-CB 3.39Å; Y201-K204 PolarHBondContact O-N 2.75Å; Y201-K204 VanDerWaalsContact O-N 3.13Å; Y201-Q205 PolarHBondContact O-N 3.29Å |
| 202 | L | 88.3 | Confident | 85.3 | Confident | 52 Ų | 52 | 78 Ų | 78 | 27% | 0.272 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 179.8 | -67.1 | 175 | 0 | 0 | 0 | 111.3 | L196 R199 Q205 A206 | L196-L202 HydrophobicContact CD2-CB 4.43Å; R199-L202 HydrophobicContact CB-CD1 3.76Å; R199-L202 HydrophobicContact CB-CG 4.24Å; R199-L202 WeakPolarHBondContact O-CB 2.77Å; R199-L202 PolarHBondContact O-N 2.7Å; L202-Q205 PolarHBondContact O-N 2.72Å; L202-A206 WeakPolarHBondContact O-CB 3.44Å; L202-A206 PolarHBondContact O-N 2.7Å |
| 203 | L | 88.8 | Confident | 85.3 | Confident | 1 Ų | 1 | 78.8 Ų | 78.8 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 174.9 | 178.1 | 60 | 0 | 0 | 0 | 112.2 | L165 V180 I183 R184 I187 L196 Y201 Q205 A206 L207 | L165-L203 HydrophobicContact CD1-CD1 3.79Å; V180-L203 HydrophobicContact CG1-CD2 4.4Å; I183-L203 HydrophobicContact CG2-CD1 3.84Å; I183-L203 HydrophobicContact CG2-CD2 4.43Å; R184-L203 HydrophobicContact CB-CD2 3.82Å; R184-L203 HydrophobicContact CG-CD2 4.49Å; I187-L203 HydrophobicContact CD1-CD1 4.21Å; L196-L203 HydrophobicContact CD2-CB 3.77Å; Y201-L203 VanDerWaalsContact C-N 3.33Å; Y201-L203 PolarHBondContact O-N 3.24Å; L203-Q205 VanDerWaalsContact C-N 3.34Å; L203-Q205 PolarHBondContact O-N 2.9Å; L203-A206 PolarHBondContact O-N 3.01Å; L203-L207 HydrophobicContact CD1-CD1 4.09Å; L203-L207 HydrophobicContact CD1-CG 4.2Å; L203-L207 HydrophobicContact CG-CD1 4.04Å; L203-L207 WeakPolarHBondContact O-CB 3.16Å; L203-L207 WeakPolarHBondContact O-CG 3.46Å; L203-L207 PolarHBondContact O-N 3.12Å |
| 204 | K | 87.7 | Confident | 85.4 | Confident | 124 Ų | 124 | 75.6 Ų | 75.6 | 54% | 0.539 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 176 | -68.2 | -179.2 | 178.2 | -179 | 0 | 111.7 | Y201 K208 A224 | Y201-K204 WeakPolarHBondContact O-CB 3.39Å; Y201-K204 PolarHBondContact O-N 2.75Å; Y201-K204 VanDerWaalsContact O-N 3.13Å; K204-K208 WeakPolarHBondContact O-CB 3.5Å; K204-K208 PolarHBondContact O-N 2.86Å; K204-K208 VanDerWaalsContact O-N 3.08Å; K204-A224 HydrophobicContact CB-CB 4.32Å; K204-A224 HydrophobicContact CG-CB 4.43Å |
| 205 | Q | 89.2 | Confident | 85.6 | Confident | 122 Ų | 122 | 75.9 Ų | 75.9 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.5 | -41.2 | 178.7 | -172.1 | 176.2 | 5.4 | 0 | 0 | 111.9 | Y201 L202 L203 K208 R209 | Y201-Q205 PolarHBondContact O-N 3.29Å; L202-Q205 PolarHBondContact O-N 2.72Å; L203-Q205 VanDerWaalsContact C-N 3.34Å; L203-Q205 PolarHBondContact O-N 2.9Å; Q205-K208 PolarHBondContact O-N 2.95Å; Q205-R209 WeakPolarHBondContact O-CB 3.48Å; Q205-R209 PolarHBondContact O-N 2.85Å |
| 206 | A | 88.1 | Confident | 85.8 | Confident | 2 Ų | 2 | 73.1 Ų | 73.1 | 2% | 0.017 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.6 | -49.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M161 L165 L202 L203 K208 R209 E210 | M161-A206 HydrophobicContact CG-CB 3.49Å; M161-A206 VanDerWaalsContact CG-CB 3.49Å; L165-A206 HydrophobicContact CD2-CB 3.91Å; L202-A206 WeakPolarHBondContact O-CB 3.44Å; L202-A206 PolarHBondContact O-N 2.7Å; L203-A206 PolarHBondContact O-N 3.01Å; A206-K208 VanDerWaalsContact C-N 3.28Å; A206-K208 PolarHBondContact O-N 2.68Å; A206-R209 PolarHBondContact O-N 2.75Å; A206-R209 VanDerWaalsContact O-N 3.11Å; A206-E210 WeakPolarHBondContact O-CB 3.4Å; A206-E210 PolarHBondContact O-N 3.29Å |
| 207 | L | 89.4 | Confident | 86 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -53.7 | -44.8 | 174.3 | -79.9 | 166.9 | 0 | 0 | 0 | 111.8 | L165 V180 L203 E210 L211 I216 F228 | L165-L207 HydrophobicContact CD1-CD2 3.86Å; L165-L207 HydrophobicContact CD1-CG 4.16Å; L165-L207 HydrophobicContact CD2-CD2 4.11Å; L165-L207 HydrophobicContact CD2-CG 4.18Å; V180-L207 HydrophobicContact CG1-CD1 4.34Å; V180-L207 HydrophobicContact CG2-CD1 4.11Å; L203-L207 HydrophobicContact CD1-CD1 4.09Å; L203-L207 HydrophobicContact CD1-CG 4.2Å; L203-L207 HydrophobicContact CG-CD1 4.04Å; L203-L207 WeakPolarHBondContact O-CB 3.16Å; L203-L207 WeakPolarHBondContact O-CG 3.46Å; L203-L207 PolarHBondContact O-N 3.12Å; L207-E210 PolarHBondContact O-N 3.47Å; L207-L211 WeakPolarHBondContact O-CB 3.3Å; L207-L211 WeakPolarHBondContact O-CD1 3.45Å; L207-L211 VanDerWaalsContact O-CG 3.24Å; L207-L211 WeakPolarHBondContact O-CG 3.35Å; L207-L211 PolarHBondContact O-N 3.44Å; L207-I216 HydrophobicContact CD2-CD1 3.69Å; L207-F228 HydrophobicContact CD1-CE2 4.27Å; L207-F228 HydrophobicContact CD2-CD2 3.72Å; L207-F228 HydrophobicContact CD2-CE2 3.91Å; L207-F228 HydrophobicContact CD2-CG 4.09Å; L207-F228 HydrophobicContact CD2-CZ 4.45Å |
| 208 | K | 88.7 | Confident | 86.5 | Confident | 122 Ų | 122 | 76.1 Ų | 76.1 | 53% | 0.53 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.9 | -47.6 | 176.3 | -179.8 | 174.7 | 169.6 | 177.8 | 0 | 112.1 | K204 Q205 A206 E210 L211 E212 | K204-K208 WeakPolarHBondContact O-CB 3.5Å; K204-K208 PolarHBondContact O-N 2.86Å; K204-K208 VanDerWaalsContact O-N 3.08Å; Q205-K208 PolarHBondContact O-N 2.95Å; A206-K208 VanDerWaalsContact C-N 3.28Å; A206-K208 PolarHBondContact O-N 2.68Å; K208-E210 VanDerWaalsContact C-N 3.31Å; K208-E210 PolarHBondContact O-N 3.06Å; K208-L211 PolarHBondContact O-N 2.97Å; K208-E212 WeakPolarHBondContact CE-OE1 3.39Å; K208-E212 IonicContact NZ-OE1 2.73Å; K208-E212 WeakPolarHBondContact O-CG 3.38Å; K208-E212 PolarHBondContact O-N 3.01Å |
| 209 | R | 88.4 | Confident | 86.8 | Confident | 97 Ų | 97 | 70 Ų | 70 | 37% | 0.366 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 178.4 | 174.6 | 167.4 | 68.6 | -159.6 | 1.2 | 112.4 | D162 Q205 A206 E212 R213 | D162-R209 IonicContact OD1-CZ 2.65Å; D162-R209 VanDerWaalsContact OD1-CZ 3.3Å; D162-R209 IonicContact OD1-NE 2.89Å; D162-R209 PolarHBondContact OD1-NE 3.16Å; D162-R209 VanDerWaalsContact OD1-NE 3.12Å; D162-R209 IonicContact OD1-NH2 3.61Å; D162-R209 PolarHBondContact OD1-NH2 3.41Å; D162-R209 IonicContact OD2-CZ 3.12Å; D162-R209 IonicContact OD2-NE 3.62Å; D162-R209 PolarHBondContact OD2-NE 2.89Å; D162-R209 IonicContact OD2-NH2 3.81Å; D162-R209 PolarHBondContact OD2-NH2 3.07Å; Q205-R209 WeakPolarHBondContact O-CB 3.48Å; Q205-R209 PolarHBondContact O-N 2.85Å; A206-R209 PolarHBondContact O-N 2.75Å; A206-R209 VanDerWaalsContact O-N 3.11Å; R209-E212 PolarHBondContact O-N 3.49Å; R209-R213 WeakPolarHBondContact O-CG 3.47Å; R209-R213 PolarHBondContact O-N 3.31Å |
| 210 | E | 87.1 | Confident | 86.7 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -79.2 | -26.7 | -174.9 | -141.6 | 63.4 | 179.7 | 0 | 0 | 112.6 | L165 A206 L207 K208 R213 G214 I215 I216 | L165-E210 HydrophobicContact CD2-CB 4.26Å; A206-E210 WeakPolarHBondContact O-CB 3.4Å; A206-E210 PolarHBondContact O-N 3.29Å; L207-E210 PolarHBondContact O-N 3.47Å; K208-E210 VanDerWaalsContact C-N 3.31Å; K208-E210 PolarHBondContact O-N 3.06Å; E210-R213 IonicContact OE1-NH1 3.7Å; E210-R213 WeakPolarHBondContact OE2-CD 3.37Å; E210-R213 IonicContact OE2-CZ 3.82Å; E210-R213 IonicContact OE2-NE 2.68Å; E210-R213 IonicContact OE2-NH1 3.01Å; E210-R213 PolarHBondContact OE2-NH1 3.03Å; E210-G214 PolarHBondContact O-N 2.75Å; E210-I215 HydrophobicContact CG-CB 4.01Å; E210-I215 HydrophobicContact CG-CG2 4.08Å; E210-I215 PolarHBondContact O-N 3.41Å; E210-I215 WeakPolarHBondContact OE1-CD1 3.47Å; E210-I216 HydrophobicContact CB-CD1 3.94Å; E210-I216 HydrophobicContact CB-CG1 3.95Å; E210-I216 HydrophobicContact CG-CG1 4.37Å; E210-I216 HydrophobicContact CG-CG2 4.14Å; E210-I216 PolarHBondContact O-N 3Å |
| 211 | L | 88.9 | Confident | 86.8 | Confident | 48 Ų | 48 | 73.8 Ų | 73.8 | 25% | 0.251 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 163.3 | -74.2 | 162.6 | 0 | 0 | 0 | 111.7 | L207 K208 R213 G214 I216 Q218 F228 | L207-L211 WeakPolarHBondContact O-CB 3.3Å; L207-L211 WeakPolarHBondContact O-CD1 3.45Å; L207-L211 VanDerWaalsContact O-CG 3.24Å; L207-L211 WeakPolarHBondContact O-CG 3.35Å; L207-L211 PolarHBondContact O-N 3.44Å; K208-L211 PolarHBondContact O-N 2.97Å; L211-R213 PolarHBondContact O-N 3.28Å; L211-G214 PolarHBondContact O-N 3.04Å; L211-I216 HydrophobicContact CD2-CG1 4.12Å; L211-I216 HydrophobicContact CG-CD1 4.2Å; L211-I216 HydrophobicContact CG-CG1 4.03Å; L211-Q218 HydrophobicContact CD2-CB 3.97Å; L211-F228 HydrophobicContact CD1-CE1 3.75Å; L211-F228 HydrophobicContact CD1-CZ 4.38Å; L211-F228 HydrophobicContact CD2-CD1 4Å; L211-F228 HydrophobicContact CD2-CE1 3.87Å; L211-F228 HydrophobicContact CG-CD1 4.49Å; L211-F228 HydrophobicContact CG-CE1 4.18Å |
| 212 | E | 85.9 | Confident | 86.3 | Confident | 138 Ų | 138 | 76.4 Ų | 76.4 | 65% | 0.645 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.3 | -27.6 | 178.3 | -74.9 | 171.5 | 166.9 | 0 | 0 | 112.6 | K208 R209 | K208-E212 WeakPolarHBondContact CE-OE1 3.39Å; K208-E212 IonicContact NZ-OE1 2.73Å; K208-E212 WeakPolarHBondContact O-CG 3.38Å; K208-E212 PolarHBondContact O-N 3.01Å; R209-E212 PolarHBondContact O-N 3.49Å |
| 213 | R | 83.3 | Confident | 85.6 | Confident | 113 Ų | 113 | 75.8 Ų | 75.8 | 43% | 0.426 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -13.4 | 171.4 | -73.3 | 164.2 | 166.6 | 172 | -7.2 | 114.4 | D162 R209 E210 L211 I215 | D162-R213 IonicContact OD1-NH1 2.75Å; D162-R213 IonicContact OD2-CZ 3.29Å; D162-R213 IonicContact OD2-NH1 3.3Å; D162-R213 PolarHBondContact OD2-NH1 3.37Å; D162-R213 IonicContact OD2-NH2 3.8Å; R209-R213 WeakPolarHBondContact O-CG 3.47Å; R209-R213 PolarHBondContact O-N 3.31Å; E210-R213 IonicContact OE1-NH1 3.7Å; E210-R213 WeakPolarHBondContact OE2-CD 3.37Å; E210-R213 IonicContact OE2-CZ 3.82Å; E210-R213 IonicContact OE2-NE 2.68Å; E210-R213 IonicContact OE2-NH1 3.01Å; E210-R213 PolarHBondContact OE2-NH1 3.03Å; L211-R213 PolarHBondContact O-N 3.28Å; R213-I215 HydrophobicContact CB-CD1 3.91Å; R213-I215 HydrophobicContact CB-CG1 4.05Å; R213-I215 PolarHBondContact O-N 3.5Å |
| 214 | G | 81.9 | Confident | 84.8 | Confident | 32 Ų | 32 | 77.4 Ų | 77.4 | 33% | 0.33 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 8.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E210 L211 I216 | E210-G214 PolarHBondContact O-N 2.75Å; L211-G214 PolarHBondContact O-N 3.04Å; G214-I216 VanDerWaalsContact C-N 3.34Å |
| 215 | I | 84.8 | Confident | 84.4 | Confident | 47 Ų | 47 | 75.6 Ų | 75.6 | 24% | 0.241 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -73.6 | -29.3 | 179.1 | -67.1 | 167.3 | 0 | 0 | 0 | 110.9 | E210 R213 V231 A234 | E210-I215 HydrophobicContact CG-CB 4.01Å; E210-I215 HydrophobicContact CG-CG2 4.08Å; E210-I215 PolarHBondContact O-N 3.41Å; E210-I215 WeakPolarHBondContact OE1-CD1 3.47Å; R213-I215 HydrophobicContact CB-CD1 3.91Å; R213-I215 HydrophobicContact CB-CG1 4.05Å; R213-I215 PolarHBondContact O-N 3.5Å; I215-V231 PolarHBondContact O-N 3.25Å; I215-A234 HydrophobicContact CB-CB 4.26Å; I215-A234 HydrophobicContact CG1-CB 3.8Å |
| 216 | I | 87.5 | Confident | 84.2 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.015 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 143.3 | 168.2 | 68.3 | 175.4 | 0 | 0 | 0 | 110.6 | I169 L207 E210 L211 G214 F228 V229 V230 | I169-I216 HydrophobicContact CD1-CB 4.46Å; I169-I216 HydrophobicContact CD1-CD1 4.03Å; I169-I216 HydrophobicContact CD1-CG2 3.78Å; L207-I216 HydrophobicContact CD2-CD1 3.69Å; E210-I216 HydrophobicContact CB-CD1 3.94Å; E210-I216 HydrophobicContact CB-CG1 3.95Å; E210-I216 HydrophobicContact CG-CG1 4.37Å; E210-I216 HydrophobicContact CG-CG2 4.14Å; E210-I216 PolarHBondContact O-N 3Å; L211-I216 HydrophobicContact CD2-CG1 4.12Å; L211-I216 HydrophobicContact CG-CD1 4.2Å; L211-I216 HydrophobicContact CG-CG1 4.03Å; G214-I216 VanDerWaalsContact C-N 3.34Å; I216-F228 HydrophobicContact CD1-CB 4.33Å; I216-F228 HydrophobicContact CD1-CD1 4.16Å; I216-F228 HydrophobicContact CD1-CG 4.28Å; I216-V229 CarbonylContact C-O 3.58Å; I216-V229 VanDerWaalsContact CA-O 3.31Å; I216-V229 WeakPolarHBondContact CA-O 3.1Å; I216-V230 HydrophobicContact CG2-CG2 4.37Å |
| 217 | R | 88.1 | Confident | 84.2 | Confident | 165 Ų | 165 | 71.3 Ų | 71.3 | 62% | 0.623 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.7 | 174 | -171.9 | 173.7 | 71.4 | -169.5 | 2.3 | 110.1 | V219 F228 V229 V231 | R217-V219 PolarHBondContact O-N 3.28Å; R217-F228 WeakPolarHBondContact O-CA 3.45Å; R217-V229 PolarHBondContact N-O 3.35Å; R217-V229 PolarHBondContact O-N 3.09Å; R217-V231 HydrophobicContact CB-CG2 3.7Å |
| 218 | Q | 89.1 | Confident | 84.2 | Confident | 52 Ų | 52 | 71.3 Ų | 71.3 | 24% | 0.243 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 121 | 168 | -174.6 | 152.1 | 38.6 | 0 | 0 | 109.7 | L211 K220 G221 G223 S225 F228 | L211-Q218 HydrophobicContact CD2-CB 3.97Å; Q218-K220 WeakPolarHBondContact CG-O 3.36Å; Q218-K220 PolarHBondContact NE2-O 3.08Å; Q218-G221 VanDerWaalsContact NE2-C 3.28Å; Q218-G223 PolarHBondContact NE2-O 3.48Å; Q218-G223 VanDerWaalsContact OE1-N 3.09Å; Q218-G223 PolarHBondContact OE1-O 3.36Å; Q218-S225 PolarHBondContact NE2-O 2.95Å; Q218-F228 HydrophobicContact CB-CD1 4.08Å; Q218-F228 HydrophobicContact CB-CE1 3.78Å; Q218-F228 HydrophobicContact CG-CD1 4.45Å; Q218-F228 HydrophobicContact CG-CE1 3.87Å |
| 219 | V | 86.8 | Confident | 84.3 | Confident | 73 Ų | 73 | 67.1 Ų | 67.1 | 44% | 0.442 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -33.4 | 176.6 | 175 | 0 | 0 | 0 | 0 | 111.3 | R217 S227 V229 | R217-V219 PolarHBondContact O-N 3.28Å; V219-S227 PolarHBondContact N-O 2.93Å; V219-V229 HydrophobicContact CG2-CB 4.19Å; V219-V229 HydrophobicContact CG2-CG2 3.57Å |
| 220 | K | 82 | Confident | 84.3 | Confident | 153 Ų | 153 | 63.9 Ų | 63.9 | 67% | 0.665 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143 | 150.1 | 178.7 | -167.9 | 169 | -177.2 | 174 | 0 | 110.2 | Q218 G226 S227 | Q218-K220 WeakPolarHBondContact CG-O 3.36Å; Q218-K220 PolarHBondContact NE2-O 3.08Å; K220-G226 CarbonylContact O-C 3.49Å; K220-G226 WeakPolarHBondContact O-CA 3.33Å; K220-S227 PolarHBondContact O-N 2.97Å |
| 221 | G | 82.4 | Confident | 84.2 | Confident | 55 Ų | 55 | 65.8 Ų | 65.8 | 57% | 0.567 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 89.6 | -168.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q218 S225 | Q218-G221 VanDerWaalsContact NE2-C 3.28Å; G221-S225 CarbonylContact C-O 3.55Å; G221-S225 WeakPolarHBondContact CA-O 3.32Å |
| 222 | K | 76 | Confident | 83.2 | Confident | 196 Ų | 196 | 69.1 Ų | 69.1 | 85% | 0.852 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 124 | -177.5 | -167.3 | 171.4 | -175.7 | 175.7 | 0 | 110.4 | S225 | K222-S225 PolarHBondContact N-O 2.85Å; K222-S225 VanDerWaalsContact N-O 3.1Å |
| 223 | G | 74.6 | Confident | 81.8 | Confident | 39 Ų | 39 | 69.1 Ų | 69.1 | 40% | 0.402 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | -148.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q218 S225 | Q218-G223 PolarHBondContact NE2-O 3.48Å; Q218-G223 VanDerWaalsContact OE1-N 3.09Å; Q218-G223 PolarHBondContact OE1-O 3.36Å; G223-S225 PolarHBondContact O-N 2.98Å |
| 224 | A | 71.5 | Confident | 80.2 | Confident | 35 Ų | 35 | 66 Ų | 66 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 12.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | V180 K204 | V180-A224 WeakPolarHBondContact CG2-O 3.44Å; K204-A224 HydrophobicContact CB-CB 4.32Å; K204-A224 HydrophobicContact CG-CB 4.43Å |
| 225 | S | 77.7 | Confident | 78.5 | Confident | 87 Ų | 87 | 67.9 Ų | 67.9 | 61% | 0.608 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 119.3 | 171.9 | -174.7 | 0 | 0 | 0 | 0 | 109.5 | Q218 G221 K222 G223 | Q218-S225 PolarHBondContact NE2-O 2.95Å; G221-S225 CarbonylContact C-O 3.55Å; G221-S225 WeakPolarHBondContact CA-O 3.32Å; K222-S225 PolarHBondContact N-O 2.85Å; K222-S225 VanDerWaalsContact N-O 3.1Å; G223-S225 PolarHBondContact O-N 2.98Å |
| 226 | G | 85.7 | Confident | 76.6 | Confident | 17 Ų | 17 | 74.9 Ų | 74.9 | 18% | 0.175 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.1 | -164.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | V180 K220 | V180-G226 PolarHBondContact N-O 3.39Å; K220-G226 CarbonylContact O-C 3.49Å; K220-G226 WeakPolarHBondContact O-CA 3.33Å |
| 227 | S | 87.8 | Confident | 74.5 | Confident | 16 Ų | 16 | 80.2 Ų | 80.2 | 11% | 0.112 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 137.9 | 168.1 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | S176 A178 V219 K220 | S176-S227 WeakPolarHBondContact O-CB 3.33Å; A178-S227 CarbonylContact O-C 3.54Å; A178-S227 WeakPolarHBondContact O-CA 3.44Å; V219-S227 PolarHBondContact N-O 2.93Å; K220-S227 PolarHBondContact O-N 2.97Å |
| 228 | F | 90.5 | Very high | 72.3 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 149.7 | -171.7 | -58.9 | -75.5 | 0 | 0 | 0 | 112.1 | I169 G177 A178 V180 I183 L207 L211 I216 R217 Q218 | I169-F228 HydrophobicContact CD1-CB 4.2Å; G177-F228 CarbonylContact C-O 3.44Å; G177-F228 WeakPolarHBondContact CA-O 3.24Å; A178-F228 PolarHBondContact N-O 2.91Å; A178-F228 PolarHBondContact O-N 3.34Å; V180-F228 HydrophobicContact CG2-CD2 4.41Å; V180-F228 HydrophobicContact CG2-CE2 3.68Å; I183-F228 HydrophobicContact CD1-CD2 4.35Å; L207-F228 HydrophobicContact CD1-CE2 4.27Å; L207-F228 HydrophobicContact CD2-CD2 3.72Å; L207-F228 HydrophobicContact CD2-CE2 3.91Å; L207-F228 HydrophobicContact CD2-CG 4.09Å; L207-F228 HydrophobicContact CD2-CZ 4.45Å; L211-F228 HydrophobicContact CD1-CE1 3.75Å; L211-F228 HydrophobicContact CD1-CZ 4.38Å; L211-F228 HydrophobicContact CD2-CD1 4Å; L211-F228 HydrophobicContact CD2-CE1 3.87Å; L211-F228 HydrophobicContact CG-CD1 4.49Å; L211-F228 HydrophobicContact CG-CE1 4.18Å; I216-F228 HydrophobicContact CD1-CB 4.33Å; I216-F228 HydrophobicContact CD1-CD1 4.16Å; I216-F228 HydrophobicContact CD1-CG 4.28Å; R217-F228 WeakPolarHBondContact O-CA 3.45Å; Q218-F228 HydrophobicContact CB-CD1 4.08Å; Q218-F228 HydrophobicContact CB-CE1 3.78Å; Q218-F228 HydrophobicContact CG-CD1 4.45Å; Q218-F228 HydrophobicContact CG-CE1 3.87Å |
| 229 | V | 89.6 | Confident | 70.3 | Confident | 34 Ų | 34 | 81.5 Ų | 81.5 | 21% | 0.206 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 135.1 | 178.6 | 176.6 | 0 | 0 | 0 | 0 | 108.9 | F173 G177 I216 R217 V219 | F173-V229 HydrophobicContact CD2-CG2 4.39Å; F173-V229 HydrophobicContact CE2-CB 4.44Å; F173-V229 HydrophobicContact CE2-CG1 3.89Å; F173-V229 HydrophobicContact CE2-CG2 3.79Å; G177-V229 VanDerWaalsContact CA-CG2 3.49Å; I216-V229 CarbonylContact C-O 3.58Å; I216-V229 VanDerWaalsContact CA-O 3.31Å; I216-V229 WeakPolarHBondContact CA-O 3.1Å; R217-V229 PolarHBondContact N-O 3.35Å; R217-V229 PolarHBondContact O-N 3.09Å; V219-V229 HydrophobicContact CG2-CB 4.19Å; V219-V229 HydrophobicContact CG2-CG2 3.57Å |
| 230 | V | 88.9 | Confident | 68.1 | Low | 30 Ų | 30 | 88.2 Ų | 88.2 | 18% | 0.182 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 130.8 | 172.8 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | T166 I169 K170 I216 | T166-V230 HydrophobicContact CG2-CG1 4.22Å; T166-V230 HydrophobicContact CG2-CG2 3.99Å; I169-V230 HydrophobicContact CB-CG2 4.02Å; I169-V230 HydrophobicContact CG2-CG2 3.7Å; K170-V230 HydrophobicContact CG-CG2 4.24Å; I216-V230 HydrophobicContact CG2-CG2 4.37Å |
| 231 | V | 85.9 | Confident | 66 | Low | 49 Ų | 49 | 85.4 Ų | 85.4 | 30% | 0.297 | 53% | 0.532 | S | S | . | . | trans | -89.5 | 107.9 | 175.6 | -179 | 0 | 0 | 0 | 0 | 108.1 | I215 R217 N233 A234 | I215-V231 PolarHBondContact O-N 3.25Å; R217-V231 HydrophobicContact CB-CG2 3.7Å; V231-N233 PolarHBondContact O-N 2.74Å; V231-A234 WeakPolarHBondContact O-CB 3.17Å; V231-A234 PolarHBondContact O-N 3.24Å | ||
| 232 | S | 67.6 | Low | 63.9 | Low | 118 Ų | 118 | 94.3 Ų | 94.3 | 83% | 0.825 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.2 | -178.5 | -47.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 233 | N | 55.3 | Low | 62 | Low | 138 Ų | 138 | 92.7 Ų | 92.7 | 74% | 0.738 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 37 | -173.8 | -61.8 | -4 | 0 | 0 | 0 | 112.8 | V231 G235 | V231-N233 PolarHBondContact O-N 2.74Å; N233-G235 PolarHBondContact O-N 3.22Å |
| 234 | A | 51.4 | Low | 60.4 | Low | 46 Ų | 46 | 102.5 Ų | 102.5 | 38% | 0.38 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.7 | 26.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | I215 V231 | I215-A234 HydrophobicContact CB-CB 4.26Å; I215-A234 HydrophobicContact CG1-CB 3.8Å; V231-A234 WeakPolarHBondContact O-CB 3.17Å; V231-A234 PolarHBondContact O-N 3.24Å |
| 235 | G | 45.9 | Very low | 58.6 | Low | 73 Ų | 73 | 110.3 Ų | 110.3 | 75% | 0.753 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | -5.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | N233 | N233-G235 PolarHBondContact O-N 3.22Š|
| 236 | K | 44 | Very low | 56.6 | Low | 193 Ų | 193 | 114.7 Ų | 114.7 | 84% | 0.839 | 61% | 0.61 | S | S | * | * | trans | -129.5 | 77.1 | -173.9 | -65.4 | -174.9 | -179.6 | -179.1 | 0 | 112.4 | V238 | K236-V238 PolarHBondContact O-N 3.48Š| ||
| 237 | T | 44.1 | Very low | 54.3 | Low | 116 Ų | 116 | 118.9 Ų | 118.9 | 71% | 0.712 | 64% | 0.636 | S | S | * | * | trans | -77.6 | 114.3 | 171.4 | 52.2 | 0 | 0 | 0 | 0 | 111 | P239 | T237-P239 VanDerWaalsContact O-CD 3.29Å; T237-P239 WeakPolarHBondContact O-CD 3.27Å | ||
| 238 | V | 40.7 | Very low | 52.1 | Low | 134 Ų | 134 | 124 Ų | 124 | 81% | 0.812 | 67% | 0.667 | S | S | * | * | trans | -88.1 | 113.5 | 173.3 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | K236 | K236-V238 PolarHBondContact O-N 3.48Š| ||
| 239 | P | 47 | Very low | 49.4 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 71% | 0.714 | 70% | 0.702 | S | S | * | * | trans | -79.4 | 129.5 | 166.9 | 32.1 | -31.9 | 0 | 0 | 0 | 110.2 | T237 A241 | T237-P239 VanDerWaalsContact O-CD 3.29Å; T237-P239 WeakPolarHBondContact O-CD 3.27Å; P239-A241 PolarHBondContact O-N 2.79Å | ||
| 240 | K | 42.4 | Very low | 47.2 | Very low | 214 Ų | 214 | 132.7 Ų | 132.7 | 93% | 0.93 | 74% | 0.736 | S | S | * | * | trans | -69.8 | 100.2 | 168.2 | -81.1 | -168.4 | 173.1 | -172.3 | 0 | 110.1 | ||||
| 241 | A | 37.9 | Very low | 44.8 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 135 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | P239 | P239-A241 PolarHBondContact O-N 2.79Š|
| 242 | R | 38 | Very low | 42.3 | Very low | 241 Ų | 241 | 139.7 Ų | 139.7 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 150.4 | 168 | -104.4 | 176.5 | 163.2 | 166.5 | -7.3 | 109.8 | R244 | R242-R244 PolarHBondContact O-N 2.99Š|
| 243 | D | 36.7 | Very low | 40.8 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 128.6 | -174.6 | -60.5 | -99.9 | 0 | 0 | 0 | 114.7 | ||
| 244 | R | 39.8 | Very low | 40.3 | Very low | 245 Ų | 245 | 140.3 Ų | 140.3 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -147.5 | 73.7 | 149 | -159.9 | 167.8 | -177.9 | 172.5 | -0.6 | 112.1 | R242 | R242-R244 PolarHBondContact O-N 2.99Š| ||
| 245 | K | 34.8 | Very low | 40 | Very low | 199 Ų | 199 | 146.3 Ų | 146.3 | 87% | 0.865 | 81% | 0.805 | S | S | * | * | trans | 33.8 | 89.9 | 154.9 | -163.5 | 168.1 | -175 | 174 | 0 | 116.1 | S247 | K245-S247 PolarHBondContact O-N 3.12Š| ||
| 246 | K | 34.6 | Very low | 40.4 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 78% | 0.778 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 120.9 | 161.9 | 172.6 | 83.4 | 174.7 | -172.5 | 0 | 109.3 | T248 | K246-T248 HydrophobicContact CG-CG2 4.18Š|
| 247 | S | 38 | Very low | 41.8 | Very low | 105 Ų | 105 | 147.1 Ų | 147.1 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 144.2 | 150.9 | 47.4 | 0 | 0 | 0 | 0 | 108.9 | K245 | K245-S247 PolarHBondContact O-N 3.12Š|
| 248 | T | 41.1 | Very low | 43.8 | Very low | 124 Ų | 124 | 147.9 Ų | 147.9 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -104 | 117 | -178.3 | 41 | 0 | 0 | 0 | 0 | 110.6 | K246 | K246-T248 HydrophobicContact CG-CG2 4.18Š|
| 249 | S | 32.9 | Very low | 46 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | trans | -143.3 | 102 | 161.8 | 54.8 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 250 | A | 43.9 | Very low | 47.9 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 91% | 0.909 | 73% | 0.732 | S | S | * | * | trans | -105.3 | 98.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 251 | S | 38.3 | Very low | 50.1 | Low | 94 Ų | 94 | 131.6 Ų | 131.6 | 66% | 0.657 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -156.7 | 130.8 | 175.8 | 54.2 | 0 | 0 | 0 | 0 | 107.4 | A253 | S251-A253 PolarHBondContact O-N 2.91Š|
| 252 | T | 35.1 | Very low | 52.5 | Low | 132 Ų | 132 | 127.8 Ų | 127.8 | 81% | 0.81 | 67% | 0.67 | S | S | * | * | trans | 38.8 | 71.6 | 169.4 | 46.1 | 0 | 0 | 0 | 0 | 115.5 | E254 | T252-E254 PolarHBondContact O-N 2.81Š| ||
| 253 | A | 35.5 | Very low | 55.1 | Low | 97 Ų | 97 | 116.3 Ų | 116.3 | 80% | 0.802 | 63% | 0.626 | S | S | * | * | trans | -73.9 | 64.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S251 Q255 | S251-A253 PolarHBondContact O-N 2.91Å; A253-Q255 PolarHBondContact O-N 3.24Å | ||
| 254 | E | 43.3 | Very low | 57.7 | Low | 172 Ų | 172 | 108.6 Ų | 108.6 | 80% | 0.804 | 59% | 0.585 | S | S | * | * | trans | -57.6 | 108.7 | 163.9 | -76.3 | -168.4 | 168 | 0 | 0 | 108.7 | T252 Q256 | T252-E254 PolarHBondContact O-N 2.81Å; E254-Q256 VanDerWaalsContact C-N 3.29Å; E254-Q256 PolarHBondContact O-N 2.87Å | ||
| 255 | Q | 45.4 | Very low | 60.2 | Low | 171 Ų | 171 | 98.6 Ų | 98.6 | 80% | 0.799 | 55% | 0.55 | S | S | * | . | trans | -69.7 | 85.3 | -178.3 | -166.9 | 92.8 | -51.3 | 0 | 0 | 108.9 | A253 V257 | A253-Q255 PolarHBondContact O-N 3.24Å; Q255-V257 WeakPolarHBondContact O-CA 3.24Å; Q255-V257 WeakPolarHBondContact O-CG2 3.49Å; Q255-V257 PolarHBondContact O-N 2.79Å | ||
| 256 | Q | 54.9 | Low | 62.9 | Low | 187 Ų | 187 | 89.1 Ų | 89.1 | 87% | 0.874 | 51% | 0.509 | S | S | * | . | trans | -38.6 | 97 | -169.5 | -70.1 | -173.6 | 0.1 | 0 | 0 | 112.9 | E254 K258 | E254-Q256 VanDerWaalsContact C-N 3.29Å; E254-Q256 PolarHBondContact O-N 2.87Å; Q256-K258 PolarHBondContact O-N 3.38Å | ||
| 257 | V | 73.4 | Confident | 65.7 | Low | 96 Ų | 96 | 80.6 Ų | 80.6 | 58% | 0.582 | 47% | 0.472 | S | S | * | . | trans | -70.1 | 125.4 | -168.6 | -170.4 | 0 | 0 | 0 | 0 | 108 | Q255 L259 D261 I262 | Q255-V257 WeakPolarHBondContact O-CA 3.24Å; Q255-V257 WeakPolarHBondContact O-CG2 3.49Å; Q255-V257 PolarHBondContact O-N 2.79Å; V257-L259 PolarHBondContact O-N 3.32Å; V257-D261 HydrophobicContact CG1-CB 4.35Å; V257-I262 HydrophobicContact CB-CD1 4.08Å; V257-I262 HydrophobicContact CB-CG1 4.25Å; V257-I262 HydrophobicContact CG1-CD1 4.1Å; V257-I262 HydrophobicContact CG1-CG1 3.74Å | ||
| 258 | K | 85.7 | Confident | 68.3 | Low | 133 Ų | 133 | 75.7 Ų | 75.7 | 58% | 0.578 | 44% | 0.437 | S | S | * | . | trans | -67 | 140.2 | -178.1 | -57.6 | 177.1 | -163.6 | 117 | 0 | 108.5 | Q256 E260 D261 I262 | Q256-K258 PolarHBondContact O-N 3.38Å; K258-E260 HydrophobicContact CB-CB 4.45Å; K258-E260 PolarHBondContact O-N 3Å; K258-D261 WeakPolarHBondContact CB-OD2 3.47Å; K258-D261 PolarHBondContact O-N 2.55Å; K258-I262 PolarHBondContact O-N 3.34Å | ||
| 259 | L | 87.3 | Confident | 70.6 | Confident | 16 Ų | 16 | 72.8 Ų | 72.8 | 8% | 0.084 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.1 | -24 | 176.2 | -159.4 | 61.6 | 0 | 0 | 0 | 112.8 | V257 D261 I262 L263 I368 L383 L384 T387 | V257-L259 PolarHBondContact O-N 3.32Å; L259-D261 VanDerWaalsContact C-N 3.31Å; L259-D261 PolarHBondContact O-N 2.86Å; L259-I262 HydrophobicContact CD1-CB 4.47Å; L259-I262 HydrophobicContact CD1-CD1 4.2Å; L259-L263 WeakPolarHBondContact O-CG 3.24Å; L259-L263 PolarHBondContact O-N 3.11Å; L259-I368 HydrophobicContact CD1-CD1 3.77Å; L259-I368 HydrophobicContact CD1-CG1 4Å; L259-I368 HydrophobicContact CD1-CG2 3.95Å; L259-I368 HydrophobicContact CG-CD1 4.4Å; L259-L383 HydrophobicContact CD2-CB 4.41Å; L259-L383 HydrophobicContact CD2-CD2 4.26Å; L259-L383 HydrophobicContact CD2-CG 3.96Å; L259-L384 HydrophobicContact CD2-CB 3.91Å; L259-L384 HydrophobicContact CD2-CD1 4.28Å; L259-T387 HydrophobicContact CB-CG2 4.39Å |
| 260 | E | 86.4 | Confident | 73.4 | Confident | 39 Ų | 39 | 69.9 Ų | 69.9 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.5 | -31 | 170.9 | -69.2 | 175.1 | -133.4 | 0 | 0 | 113.7 | W136 K258 T387 K390 | W136-E260 VanDerWaalsContact CZ2-O 3.29Å; W136-E260 WeakPolarHBondContact CZ2-O 3.32Å; W136-E260 PolarHBondContact NE1-O 3.43Å; K258-E260 HydrophobicContact CB-CB 4.45Å; K258-E260 PolarHBondContact O-N 3Å; E260-T387 HydrophobicContact CB-CG2 4.44Å; E260-T387 HydrophobicContact CG-CG2 3.66Å; E260-K390 WeakPolarHBondContact OE1-CD 3.49Å; E260-K390 IonicContact OE1-NZ 2.58Å; E260-K390 PolarHBondContact OE1-NZ 2.99Å; E260-K390 IonicContact OE2-NZ 3.25Å; E260-K390 PolarHBondContact OE2-NZ 3.25Å |
| 261 | D | 88.8 | Confident | 75.6 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 32% | 0.321 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -93.6 | -21.6 | -177.3 | -59.6 | -47.9 | 0 | 0 | 0 | 111.7 | V257 K258 L259 P264 | V257-D261 HydrophobicContact CG1-CB 4.35Å; K258-D261 WeakPolarHBondContact CB-OD2 3.47Å; K258-D261 PolarHBondContact O-N 2.55Å; L259-D261 VanDerWaalsContact C-N 3.31Å; L259-D261 PolarHBondContact O-N 2.86Å; D261-P264 WeakPolarHBondContact O-CD 3.47Å |
| 262 | I | 89.4 | Confident | 78 | Confident | 15 Ų | 15 | 66.3 Ų | 66.3 | 8% | 0.077 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -75.4 | -35.6 | 174.6 | -70.1 | 158.5 | 0 | 0 | 0 | 112.6 | V257 K258 L259 P264 L265 A266 Y367 H372 | V257-I262 HydrophobicContact CB-CD1 4.08Å; V257-I262 HydrophobicContact CB-CG1 4.25Å; V257-I262 HydrophobicContact CG1-CD1 4.1Å; V257-I262 HydrophobicContact CG1-CG1 3.74Å; K258-I262 PolarHBondContact O-N 3.34Å; L259-I262 HydrophobicContact CD1-CB 4.47Å; L259-I262 HydrophobicContact CD1-CD1 4.2Å; I262-P264 VanDerWaalsContact C-CD 3.47Å; I262-L265 PolarHBondContact O-N 2.76Å; I262-L265 VanDerWaalsContact O-N 3.16Å; I262-A266 PolarHBondContact O-N 3.25Å; I262-Y367 HydrophobicContact CG2-CE1 4.48Å; I262-H372 WeakPolarHBondContact CG2-NE2 3.4Å |
| 263 | L | 91.8 | Very high | 80.5 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -52.8 | -44.3 | -171.5 | -82.6 | 168.8 | 0 | 0 | 0 | 115.1 | L259 L265 A266 F267 L364 L384 T387 L388 M397 | L259-L263 WeakPolarHBondContact O-CG 3.24Å; L259-L263 PolarHBondContact O-N 3.11Å; L263-L265 VanDerWaalsContact C-N 3.32Å; L263-L265 PolarHBondContact O-N 2.76Å; L263-A266 PolarHBondContact O-N 3.16Å; L263-F267 HydrophobicContact CD2-CE2 4.18Å; L263-F267 WeakPolarHBondContact O-CB 3.35Å; L263-F267 WeakPolarHBondContact O-CD2 3.47Å; L263-F267 PolarHBondContact O-N 3.06Å; L263-L364 HydrophobicContact CD2-CD1 4.45Å; L263-L364 HydrophobicContact CD2-CD2 4.12Å; L263-L384 HydrophobicContact CD2-CD1 4.04Å; L263-T387 HydrophobicContact CD1-CG2 3.55Å; L263-L388 HydrophobicContact CD1-CD2 3.9Å; L263-L388 HydrophobicContact CD2-CD2 3.95Å; L263-M397 HydrophobicContact CD1-SD 4.01Å |
| 264 | P | 92 | Very high | 83.2 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -37.5 | -179.4 | -20.8 | 32.8 | 0 | 0 | 0 | 113.1 | W136 D261 I262 T268 L411 Y415 | W136-P264 HydrophobicContact CB-CG 4.12Å; W136-P264 HydrophobicContact CD2-CB 4.29Å; W136-P264 HydrophobicContact CD2-CG 3.18Å; W136-P264 HydrophobicContact CE3-CB 4.39Å; W136-P264 HydrophobicContact CE3-CG 3.58Å; W136-P264 HydrophobicContact CG-CB 4.4Å; W136-P264 HydrophobicContact CG-CG 3.44Å; W136-P264 VanDerWaalsContact CG-CG 3.44Å; W136-P264 HydrophobicContact CH2-CG 4.18Å; W136-P264 HydrophobicContact CZ2-CG 3.84Å; W136-P264 HydrophobicContact CZ3-CG 4.06Å; D261-P264 WeakPolarHBondContact O-CD 3.47Å; I262-P264 VanDerWaalsContact C-CD 3.47Å; P264-T268 WeakPolarHBondContact O-CB 3.39Å; P264-T268 PolarHBondContact O-N 3.03Å; P264-T268 PolarHBondContact O-OG1 2.98Å; P264-L411 HydrophobicContact CB-CD1 4.29Å; P264-Y415 HydrophobicContact CB-CD1 3.51Å; P264-Y415 HydrophobicContact CB-CD2 3.85Å; P264-Y415 HydrophobicContact CB-CE1 3.63Å; P264-Y415 HydrophobicContact CB-CE2 3.96Å; P264-Y415 HydrophobicContact CB-CG 3.63Å |
| 265 | L | 92.1 | Very high | 85.5 | Confident | 36 Ų | 36 | 54.2 Ų | 54.2 | 19% | 0.188 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -69.1 | -46.3 | 176.6 | -176.3 | 59.3 | 0 | 0 | 0 | 110.5 | I262 L263 F267 T268 R269 V421 L422 | I262-L265 PolarHBondContact O-N 2.76Å; I262-L265 VanDerWaalsContact O-N 3.16Å; L263-L265 VanDerWaalsContact C-N 3.32Å; L263-L265 PolarHBondContact O-N 2.76Å; L265-F267 VanDerWaalsContact C-N 3.33Å; L265-F267 PolarHBondContact O-N 3.29Å; L265-T268 CarbonylContact O-C 3.6Å; L265-T268 WeakPolarHBondContact O-CA 3.34Å; L265-T268 WeakPolarHBondContact O-CB 3.37Å; L265-T268 PolarHBondContact O-N 3Å; L265-R269 WeakPolarHBondContact O-CD 3.39Å; L265-R269 VanDerWaalsContact O-CG 3.28Å; L265-R269 WeakPolarHBondContact O-CG 3.49Å; L265-R269 PolarHBondContact O-N 3.09Å; L265-V421 HydrophobicContact CD1-CG1 4.48Å; L265-V421 WeakPolarHBondContact CD1-O 3.37Å; L265-V421 WeakPolarHBondContact CD2-O 3.43Å; L265-L422 HydrophobicContact CD1-CD1 4.06Å |
| 266 | A | 92 | Very high | 87.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.8 | -46.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I262 L263 T268 R269 L270 L364 Y367 | I262-A266 PolarHBondContact O-N 3.25Å; L263-A266 PolarHBondContact O-N 3.16Å; A266-T268 VanDerWaalsContact C-N 3.3Å; A266-T268 PolarHBondContact O-N 2.94Å; A266-R269 PolarHBondContact O-N 3.01Å; A266-L270 HydrophobicContact CB-CD1 4.42Å; A266-L270 VanDerWaalsContact O-CB 3.27Å; A266-L270 WeakPolarHBondContact O-CB 3.42Å; A266-L270 WeakPolarHBondContact O-CD1 3.4Å; A266-L270 WeakPolarHBondContact O-CG 3.46Å; A266-L270 PolarHBondContact O-N 3.03Å; A266-L364 HydrophobicContact CB-CD2 4.15Å; A266-Y367 HydrophobicContact CB-CD1 3.64Å; A266-Y367 HydrophobicContact CB-CE1 3.58Å; A266-Y367 HydrophobicContact CB-CG 4.28Å |
| 267 | F | 93 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.4 | -40.3 | 172.8 | -91.4 | -114.1 | 0 | 0 | 0 | 112.5 | L263 L265 L270 C271 K357 C359 L364 M397 F409 L411 | L263-F267 HydrophobicContact CD2-CE2 4.18Å; L263-F267 WeakPolarHBondContact O-CB 3.35Å; L263-F267 WeakPolarHBondContact O-CD2 3.47Å; L263-F267 PolarHBondContact O-N 3.06Å; L265-F267 VanDerWaalsContact C-N 3.33Å; L265-F267 PolarHBondContact O-N 3.29Å; F267-L270 PolarHBondContact O-N 3.17Å; F267-C271 WeakPolarHBondContact O-CB 3.31Å; F267-C271 PolarHBondContact O-N 2.88Å; F267-K357 HydrophobicContact CD1-CB 4.48Å; F267-K357 WeakPolarHBondContact CD1-O 3.38Å; F267-C359 HydrophobicContact CD1-CB 3.77Å; F267-C359 HydrophobicContact CD2-CB 4.13Å; F267-C359 HydrophobicContact CE1-CB 3.72Å; F267-C359 HydrophobicContact CE2-CB 4.08Å; F267-C359 HydrophobicContact CG-CB 3.99Å; F267-C359 HydrophobicContact CZ-CB 3.87Å; F267-L364 HydrophobicContact CD2-CD1 4.48Å; F267-L364 HydrophobicContact CD2-CD2 3.7Å; F267-L364 HydrophobicContact CE2-CD1 3.56Å; F267-L364 HydrophobicContact CE2-CD2 3.6Å; F267-L364 HydrophobicContact CE2-CG 4.16Å; F267-L364 HydrophobicContact CZ-CD1 4.01Å; F267-M397 HydrophobicContact CD2-CE 4.37Å; F267-M397 HydrophobicContact CE1-CE 4.1Å; F267-M397 HydrophobicContact CE2-CE 3.37Å; F267-M397 HydrophobicContact CZ-CE 3.2Å; F267-F409 HydrophobicContact CE1-CB 4.37Å; F267-F409 WeakPolarHBondContact CE1-O 3.37Å; F267-F409 HydrophobicContact CZ-CB 3.81Å; F267-L411 HydrophobicContact CB-CD1 3.98Å; F267-L411 HydrophobicContact CB-CD2 4.39Å; F267-L411 HydrophobicContact CB-CG 4.17Å; F267-L411 HydrophobicContact CD1-CD1 4.42Å; F267-L411 HydrophobicContact CD1-CD2 3.92Å; F267-L411 HydrophobicContact CD1-CG 3.71Å; F267-L411 HydrophobicContact CD2-CD2 4.28Å; F267-L411 HydrophobicContact CE1-CD2 4.22Å; F267-L411 HydrophobicContact CE1-CG 4.28Å; F267-L411 HydrophobicContact CG-CD1 4.36Å; F267-L411 HydrophobicContact CG-CD2 3.94Å; F267-L411 HydrophobicContact CG-CG 4Å |
| 268 | T | 92.3 | Very high | 90.6 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.012 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.9 | -34.9 | 177.6 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | P264 L265 A266 A351 K357 Y415 P417 L422 | P264-T268 WeakPolarHBondContact O-CB 3.39Å; P264-T268 PolarHBondContact O-N 3.03Å; P264-T268 PolarHBondContact O-OG1 2.98Å; L265-T268 CarbonylContact O-C 3.6Å; L265-T268 WeakPolarHBondContact O-CA 3.34Å; L265-T268 WeakPolarHBondContact O-CB 3.37Å; L265-T268 PolarHBondContact O-N 3Å; A266-T268 VanDerWaalsContact C-N 3.3Å; A266-T268 PolarHBondContact O-N 2.94Å; T268-A351 VanDerWaalsContact CG2-O 3.22Å; T268-A351 WeakPolarHBondContact CG2-O 3.45Å; T268-K357 WeakPolarHBondContact OG1-CD 3.45Å; T268-K357 VanDerWaalsContact OG1-CE 3.23Å; T268-K357 WeakPolarHBondContact OG1-CE 3.4Å; T268-Y415 WeakPolarHBondContact OG1-CD1 3.5Å; T268-P417 HydrophobicContact CG2-CG 3.96Å; T268-L422 HydrophobicContact CG2-CD1 3.82Å |
| 269 | R | 90.1 | Very high | 90.9 | Very high | 63 Ų | 63 | 33.1 Ų | 33.1 | 24% | 0.238 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.6 | -42.4 | 175.6 | -46.7 | -34.7 | -66.3 | -83.7 | -166.9 | 111.6 | L265 A266 K274 Y367 L422 | L265-R269 WeakPolarHBondContact O-CD 3.39Å; L265-R269 VanDerWaalsContact O-CG 3.28Å; L265-R269 WeakPolarHBondContact O-CG 3.49Å; L265-R269 PolarHBondContact O-N 3.09Å; A266-R269 PolarHBondContact O-N 3.01Å; R269-K274 VanDerWaalsContact O-CE 3.29Å; R269-K274 WeakPolarHBondContact O-CE 3.48Å; R269-K274 PolarHBondContact O-NZ 2.94Å; R269-Y367 HydrophobicContact CB-CE2 3.93Å; R269-Y367 HydrophobicContact CG-CE2 3.74Å; R269-L422 PolarHBondContact NH1-O 3.48Å; R269-L422 PolarHBondContact NH2-O 3.35Å |
| 270 | L | 90.4 | Very high | 91.2 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 24% | 0.236 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -94.8 | -16.5 | -166.8 | -62.5 | 168.9 | 0 | 0 | 0 | 115.6 | A266 F267 E272 C359 A363 L364 Y367 | A266-L270 HydrophobicContact CB-CD1 4.42Å; A266-L270 VanDerWaalsContact O-CB 3.27Å; A266-L270 WeakPolarHBondContact O-CB 3.42Å; A266-L270 WeakPolarHBondContact O-CD1 3.4Å; A266-L270 WeakPolarHBondContact O-CG 3.46Å; A266-L270 PolarHBondContact O-N 3.03Å; F267-L270 PolarHBondContact O-N 3.17Å; L270-E272 PolarHBondContact O-N 3.01Å; L270-C359 VanDerWaalsContact CB-SG 3.59Å; L270-A363 HydrophobicContact CD1-CB 4.22Å; L270-A363 HydrophobicContact CD2-CB 4.42Å; L270-L364 HydrophobicContact CD1-CD2 3.98Å; L270-Y367 HydrophobicContact CD1-CD2 4.16Å; L270-Y367 HydrophobicContact CD1-CG 3.98Å; L270-Y367 HydrophobicContact CD2-CD2 4Å; L270-Y367 HydrophobicContact CD2-CG 4.48Å; L270-Y367 HydrophobicContact CG-CD2 4.05Å; L270-Y367 HydrophobicContact CG-CG 4.39Å |
| 271 | C | 90.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.02 | 17% | 0.171 | C | C | . | . | trans | -61.9 | 132.3 | -178.4 | -174.3 | 0 | 0 | 0 | 0 | 111 | F267 K274 N354 T358 | F267-C271 WeakPolarHBondContact O-CB 3.31Å; F267-C271 PolarHBondContact O-N 2.88Å; C271-K274 VanDerWaalsContact O-CE 3.26Å; C271-K274 WeakPolarHBondContact O-CE 3.11Å; C271-K274 WeakPolarHBondContact O-CG 3.03Å; C271-N354 PolarHBondContact SG-ND2 2.98Å; C271-N354 VanDerWaalsContact SG-ND2 3.36Å; C271-T358 WeakPolarHBondContact CA-O 3.5Å; C271-T358 WeakPolarHBondContact CB-O 3.38Å; C271-T358 PolarHBondContact SG-N 3.13Å; C271-T358 VanDerWaalsContact SG-N 3.4Å; C271-T358 PolarHBondContact SG-O 2.69Å; C271-T358 VanDerWaalsContact SG-O 3.36Å | ||
| 272 | E | 88 | Confident | 91.8 | Very high | 126 Ų | 126 | 31.9 Ų | 31.9 | 59% | 0.589 | 17% | 0.166 | S | C | * | . | S | Bend | trans | -133.8 | 135.4 | 174.8 | -67.4 | -177.5 | 175.1 | 0 | 0 | 108.3 | L270 K330 | L270-E272 PolarHBondContact O-N 3.01Å; E272-K330 IonicContact OE1-NZ 2.72Å; E272-K330 PolarHBondContact OE1-NZ 2.67Å |
| 273 | P | 88.9 | Confident | 92 | Very high | 68 Ų | 68 | 36.9 Ų | 36.9 | 44% | 0.442 | 19% | 0.187 | S | C | . | . | S | Bend | cis | -67.3 | 172.5 | -3.1 | 31.7 | -37.1 | 0 | 0 | 0 | 113 | E275 Q327 N354 | P273-E275 HydrophobicContact CB-CG 4.18Å; P273-E275 WeakPolarHBondContact CB-OE1 3.5Å; P273-E275 HydrophobicContact CG-CG 4.37Å; P273-E275 WeakPolarHBondContact CG-OE1 3.31Å; P273-Q327 HydrophobicContact CB-CG 4.39Å; P273-N354 PolarHBondContact O-ND2 3Å |
| 274 | K | 91.3 | Very high | 92.2 | Very high | 26 Ų | 26 | 37 Ų | 37 | 11% | 0.113 | 19% | 0.188 | C | C | . | . | trans | -114.3 | 100.7 | 174.7 | -71.9 | -168.9 | 176.6 | -178.1 | 0 | 109.7 | R269 C271 Q327 L328 I350 | R269-K274 VanDerWaalsContact O-CE 3.29Å; R269-K274 WeakPolarHBondContact O-CE 3.48Å; R269-K274 PolarHBondContact O-NZ 2.94Å; C271-K274 VanDerWaalsContact O-CE 3.26Å; C271-K274 WeakPolarHBondContact O-CE 3.11Å; C271-K274 WeakPolarHBondContact O-CG 3.03Å; K274-Q327 WeakPolarHBondContact O-CA 3.47Å; K274-L328 HydrophobicContact CB-CB 4.16Å; K274-L328 PolarHBondContact O-N 3.43Å; K274-I350 HydrophobicContact CB-CG2 4.33Å; K274-I350 WeakPolarHBondContact O-CG2 3.32Å | ||
| 275 | E | 92.2 | Very high | 92.2 | Very high | 53 Ų | 53 | 37 Ų | 37 | 25% | 0.248 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 136.3 | -169.3 | -71.2 | 173.7 | -152.3 | 0 | 0 | 111.1 | P273 I317 T325 F326 Q327 N354 | P273-E275 HydrophobicContact CB-CG 4.18Å; P273-E275 WeakPolarHBondContact CB-OE1 3.5Å; P273-E275 HydrophobicContact CG-CG 4.37Å; P273-E275 WeakPolarHBondContact CG-OE1 3.31Å; E275-I317 HydrophobicContact CG-CD1 3.94Å; E275-I317 WeakPolarHBondContact OE1-CD1 3.16Å; E275-I317 WeakPolarHBondContact OE2-CD1 3.43Å; E275-T325 HydrophobicContact CB-CG2 3.97Å; E275-F326 WeakPolarHBondContact CA-O 3.4Å; E275-Q327 HydrophobicContact CG-CB 3.78Å; E275-Q327 HydrophobicContact CG-CG 3.69Å; E275-Q327 PolarHBondContact OE1-NE2 2.95Å; E275-N354 PolarHBondContact N-OD1 3.39Å; E275-N354 WeakPolarHBondContact O-CA 3.33Å; E275-N354 PolarHBondContact O-OD1 3.16Å; E275-N354 VanDerWaalsContact O-OD1 3.11Å |
| 276 | A | 93.5 | Very high | 92.3 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 147.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I281 F326 I350 M353 | A276-I281 HydrophobicContact CB-CD1 4.13Å; A276-I281 HydrophobicContact CB-CG1 3.75Å; A276-F326 PolarHBondContact N-O 3.33Å; A276-F326 PolarHBondContact O-N 3.17Å; A276-I350 HydrophobicContact CB-CB 4.37Å; A276-I350 HydrophobicContact CB-CG1 4.13Å; A276-I350 HydrophobicContact CB-CG2 4.44Å; A276-M353 HydrophobicContact CB-CB 4.25Å |
| 277 | S | 93.1 | Very high | 92.3 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 151.9 | 173.8 | 67.9 | 0 | 0 | 0 | 0 | 111.5 | S279 L280 I281 G324 | S277-S279 PolarHBondContact O-N 2.91Å; S277-S279 PolarHBondContact OG-OG 2.74Å; S277-L280 PolarHBondContact O-N 3.05Å; S277-L280 WeakPolarHBondContact OG-CG 3.33Å; S277-I281 WeakPolarHBondContact O-CG1 3.38Å; S277-I281 PolarHBondContact O-N 3.4Å; S277-G324 CarbonylContact C-O 3.57Å; S277-G324 VanDerWaalsContact CA-O 3.29Å; S277-G324 WeakPolarHBondContact CA-O 3.21Å |
| 278 | Y | 93.6 | Very high | 92.3 | Very high | 32 Ų | 32 | 46.6 Ų | 46.6 | 13% | 0.125 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -47.2 | -37.5 | 176.4 | 176.8 | -92.3 | 0 | 0 | 0 | 113.4 | K282 P298 L301 K302 L305 G324 | Y278-K282 HydrophobicContact CE1-CB 4.49Å; Y278-K282 HydrophobicContact CE1-CD 4.5Å; Y278-K282 VanDerWaalsContact O-CB 3.29Å; Y278-K282 WeakPolarHBondContact O-CB 3.49Å; Y278-K282 PolarHBondContact O-N 3.07Å; Y278-P298 PolarHBondContact OH-O 3.44Å; Y278-L301 HydrophobicContact CD2-CD2 4.29Å; Y278-L301 HydrophobicContact CE2-CD2 3.71Å; Y278-L301 HydrophobicContact CE2-CG 3.87Å; Y278-K302 HydrophobicContact CE2-CG 3.56Å; Y278-L305 HydrophobicContact CD2-CD1 3.64Å; Y278-L305 HydrophobicContact CE2-CD1 4.13Å; Y278-G324 PolarHBondContact N-O 3.41Å |
| 279 | S | 92.9 | Very high | 92.2 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 53% | 0.531 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -72.5 | -31.3 | -179.3 | 60.1 | 0 | 0 | 0 | 0 | 113.5 | S277 K283 | S277-S279 PolarHBondContact O-N 2.91Å; S277-S279 PolarHBondContact OG-OG 2.74Å; S279-K283 WeakPolarHBondContact O-CB 3.16Å; S279-K283 PolarHBondContact O-N 3.17Å |
| 280 | L | 92.8 | Very high | 92.1 | Very high | 38 Ų | 38 | 50.2 Ų | 50.2 | 20% | 0.199 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -77 | -42.8 | 172.8 | -62.2 | 179.6 | 0 | 0 | 0 | 111 | S277 K283 Y284 M353 | S277-L280 PolarHBondContact O-N 3.05Å; S277-L280 WeakPolarHBondContact OG-CG 3.33Å; L280-K283 PolarHBondContact O-N 3.48Å; L280-Y284 PolarHBondContact O-N 3.29Å; L280-M353 HydrophobicContact CB-CB 3.96Å; L280-M353 HydrophobicContact CB-CE 3.96Å; L280-M353 HydrophobicContact CB-CG 4.26Å; L280-M353 HydrophobicContact CD2-CE 3.81Å; L280-M353 HydrophobicContact CG-CE 4.33Å |
| 281 | I | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.5 | -50.8 | 174.9 | -62.6 | 168.4 | 0 | 0 | 0 | 110 | A276 S277 K283 Y284 V285 L301 L305 F326 I346 A349 I350 | A276-I281 HydrophobicContact CB-CD1 4.13Å; A276-I281 HydrophobicContact CB-CG1 3.75Å; S277-I281 WeakPolarHBondContact O-CG1 3.38Å; S277-I281 PolarHBondContact O-N 3.4Å; I281-K283 VanDerWaalsContact C-N 3.3Å; I281-K283 PolarHBondContact O-N 3.41Å; I281-Y284 PolarHBondContact O-N 3.46Å; I281-V285 HydrophobicContact CG2-CG2 4.32Å; I281-V285 WeakPolarHBondContact O-CG2 3.23Å; I281-V285 PolarHBondContact O-N 3.45Å; I281-L301 HydrophobicContact CG2-CD1 3.85Å; I281-L301 HydrophobicContact CG2-CD2 4.3Å; I281-L305 HydrophobicContact CD1-CD2 4.28Å; I281-F326 HydrophobicContact CD1-CD2 4.11Å; I281-I346 HydrophobicContact CG2-CG1 4.34Å; I281-A349 HydrophobicContact CB-CB 4.39Å; I281-A349 HydrophobicContact CG1-CB 4.45Å; I281-A349 HydrophobicContact CG2-CB 4Å; I281-I350 HydrophobicContact CD1-CD1 4.2Å; I281-I350 HydrophobicContact CD1-CG1 3.73Å; I281-I350 HydrophobicContact CG1-CG1 4.05Å |
| 282 | K | 93.9 | Very high | 91.9 | Very high | 52 Ų | 52 | 57.4 Ų | 57.4 | 23% | 0.226 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.1 | -45 | 177.2 | -170.7 | -173 | 177.5 | -145 | 0 | 111.7 | Y278 V285 S286 V294 D295 L301 | Y278-K282 HydrophobicContact CE1-CB 4.49Å; Y278-K282 HydrophobicContact CE1-CD 4.5Å; Y278-K282 VanDerWaalsContact O-CB 3.29Å; Y278-K282 WeakPolarHBondContact O-CB 3.49Å; Y278-K282 PolarHBondContact O-N 3.07Å; K282-V285 PolarHBondContact O-N 3.48Å; K282-S286 WeakPolarHBondContact O-CB 3.3Å; K282-S286 PolarHBondContact O-N 3.09Å; K282-V294 HydrophobicContact CG-CG1 4.04Å; K282-D295 WeakPolarHBondContact CE-OD1 3.37Å; K282-D295 IonicContact NZ-OD1 2.65Å; K282-D295 PolarHBondContact NZ-OD1 2.9Å; K282-L301 HydrophobicContact CB-CD2 3.81Å; K282-L301 HydrophobicContact CG-CD2 4.18Å |
| 283 | K | 93.9 | Very high | 91.9 | Very high | 119 Ų | 119 | 57.9 Ų | 57.9 | 52% | 0.517 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.2 | -43.1 | 179.9 | -174.8 | -173 | -62.9 | 173.5 | 0 | 112.1 | S279 L280 I281 S286 Q287 | S279-K283 WeakPolarHBondContact O-CB 3.16Å; S279-K283 PolarHBondContact O-N 3.17Å; L280-K283 PolarHBondContact O-N 3.48Å; I281-K283 VanDerWaalsContact C-N 3.3Å; I281-K283 PolarHBondContact O-N 3.41Å; K283-S286 WeakPolarHBondContact O-CB 3.13Å; K283-Q287 VanDerWaalsContact O-CB 3.31Å; K283-Q287 WeakPolarHBondContact O-CB 3.42Å; K283-Q287 PolarHBondContact O-N 3.08Å |
| 284 | Y | 94.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.5 | -47.7 | 178.6 | -168.5 | -91.1 | 0 | 0 | 0 | 111.9 | L280 I281 S286 Q287 Y288 Y289 A349 A352 M353 P417 P419 | L280-Y284 PolarHBondContact O-N 3.29Å; I281-Y284 PolarHBondContact O-N 3.46Å; Y284-S286 VanDerWaalsContact C-N 3.34Å; Y284-S286 PolarHBondContact O-N 2.65Å; Y284-Q287 PolarHBondContact O-N 3.3Å; Y284-Y288 HydrophobicContact CD1-CD2 4.03Å; Y284-Y288 AromaticContact CD2-CD2 3.65Å; Y284-Y288 HydrophobicContact CD2-CD2 3.65Å; Y284-Y288 AromaticContact CD2-CE2 3.65Å; Y284-Y288 HydrophobicContact CD2-CE2 3.65Å; Y284-Y288 AromaticContact CE1-CD2 3.92Å; Y284-Y288 HydrophobicContact CE1-CD2 3.92Å; Y284-Y288 AromaticContact CE2-CD2 3.49Å; Y284-Y288 HydrophobicContact CE2-CD2 3.49Å; Y284-Y288 VanDerWaalsContact CE2-CD2 3.49Å; Y284-Y288 AromaticContact CE2-CE2 3.4Å; Y284-Y288 HydrophobicContact CE2-CE2 3.4Å; Y284-Y288 VanDerWaalsContact CE2-CE2 3.4Å; Y284-Y288 AromaticContact CG-CD2 3.93Å; Y284-Y288 HydrophobicContact CG-CD2 3.93Å; Y284-Y288 HydrophobicContact CG-CE2 4.38Å; Y284-Y288 AromaticContact CZ-CD2 3.66Å; Y284-Y288 AromaticContact CZ-CE2 3.97Å; Y284-Y288 WeakPolarHBondContact O-CD2 3.37Å; Y284-Y288 PolarHBondContact O-N 3.14Å; Y284-Y289 HydrophobicContact CD1-CE2 4.45Å; Y284-Y289 HydrophobicContact CE1-CE2 4.13Å; Y284-A349 VanDerWaalsContact CD1-CA 3.41Å; Y284-A349 HydrophobicContact CD1-CB 3.52Å; Y284-A349 HydrophobicContact CE1-CB 4.35Å; Y284-A349 HydrophobicContact CG-CB 3.84Å; Y284-A352 HydrophobicContact CD2-CB 3.93Å; Y284-A352 HydrophobicContact CE1-CB 4.46Å; Y284-A352 HydrophobicContact CE2-CB 3.26Å; Y284-M353 HydrophobicContact CD2-CG 3.92Å; Y284-M353 HydrophobicContact CD2-SD 3.68Å; Y284-M353 HydrophobicContact CG-CG 4.15Å; Y284-M353 HydrophobicContact CG-SD 4.37Å; Y284-P417 WeakPolarHBondContact CE2-O 3.36Å; Y284-P417 PolarHBondContact OH-O 3.26Å; Y284-P419 HydrophobicContact CE1-CG 4.16Å; Y284-P419 WeakPolarHBondContact OH-CD 3.39Å |
| 285 | V | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.3 | -36.9 | -179.4 | -176 | 0 | 0 | 0 | 0 | 111.3 | I281 K282 Y289 L292 V294 M342 A345 A349 | I281-V285 HydrophobicContact CG2-CG2 4.32Å; I281-V285 WeakPolarHBondContact O-CG2 3.23Å; I281-V285 PolarHBondContact O-N 3.45Å; K282-V285 PolarHBondContact O-N 3.48Å; V285-Y289 HydrophobicContact CG1-CD2 4.4Å; V285-Y289 CarbonylContact O-C 3.4Å; V285-Y289 WeakPolarHBondContact O-CA 3.2Å; V285-Y289 WeakPolarHBondContact O-CB 3.2Å; V285-Y289 PolarHBondContact O-N 2.98Å; V285-L292 HydrophobicContact CG1-CB 4.44Å; V285-L292 HydrophobicContact CG1-CD1 3.71Å; V285-V294 HydrophobicContact CG1-CB 4.47Å; V285-V294 HydrophobicContact CG1-CG2 3.65Å; V285-M342 HydrophobicContact CG1-CE 4.08Å; V285-A345 HydrophobicContact CG1-CB 4.23Å; V285-A345 HydrophobicContact CG2-CB 4.17Å; V285-A349 HydrophobicContact CG2-CB 4.12Å |
| 286 | S | 93.1 | Very high | 91.5 | Very high | 46 Ų | 46 | 61 Ų | 61 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.1 | -47 | 169.1 | 169.9 | 0 | 0 | 0 | 0 | 112.5 | K282 K283 Y284 D295 | K282-S286 WeakPolarHBondContact O-CB 3.3Å; K282-S286 PolarHBondContact O-N 3.09Å; K283-S286 WeakPolarHBondContact O-CB 3.13Å; Y284-S286 VanDerWaalsContact C-N 3.34Å; Y284-S286 PolarHBondContact O-N 2.65Å; S286-D295 WeakPolarHBondContact CB-OD2 3.35Å; S286-D295 PolarHBondContact OG-OD2 2.99Å |
| 287 | Q | 92.1 | Very high | 91.2 | Very high | 123 Ų | 123 | 67 Ų | 67 | 58% | 0.575 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -75.9 | -36 | -173.3 | -176.6 | 178.3 | -27.7 | 0 | 0 | 113.8 | K283 Y284 | K283-Q287 VanDerWaalsContact O-CB 3.31Å; K283-Q287 WeakPolarHBondContact O-CB 3.42Å; K283-Q287 PolarHBondContact O-N 3.08Å; Y284-Q287 PolarHBondContact O-N 3.3Å |
| 288 | Y | 92.1 | Very high | 91 | Very high | 70 Ų | 70 | 67.5 Ų | 67.5 | 28% | 0.275 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -112.9 | -16.3 | -171.2 | -64.2 | -68.5 | 0 | 0 | 0 | 115.1 | Y284 P290 S418 P419 | Y284-Y288 HydrophobicContact CD1-CD2 4.03Å; Y284-Y288 AromaticContact CD2-CD2 3.65Å; Y284-Y288 HydrophobicContact CD2-CD2 3.65Å; Y284-Y288 AromaticContact CD2-CE2 3.65Å; Y284-Y288 HydrophobicContact CD2-CE2 3.65Å; Y284-Y288 AromaticContact CE1-CD2 3.92Å; Y284-Y288 HydrophobicContact CE1-CD2 3.92Å; Y284-Y288 AromaticContact CE2-CD2 3.49Å; Y284-Y288 HydrophobicContact CE2-CD2 3.49Å; Y284-Y288 VanDerWaalsContact CE2-CD2 3.49Å; Y284-Y288 AromaticContact CE2-CE2 3.4Å; Y284-Y288 HydrophobicContact CE2-CE2 3.4Å; Y284-Y288 VanDerWaalsContact CE2-CE2 3.4Å; Y284-Y288 AromaticContact CG-CD2 3.93Å; Y284-Y288 HydrophobicContact CG-CD2 3.93Å; Y284-Y288 HydrophobicContact CG-CE2 4.38Å; Y284-Y288 AromaticContact CZ-CD2 3.66Å; Y284-Y288 AromaticContact CZ-CE2 3.97Å; Y284-Y288 WeakPolarHBondContact O-CD2 3.37Å; Y284-Y288 PolarHBondContact O-N 3.14Å; Y288-P290 VanDerWaalsContact C-CD 3.41Å; Y288-P290 WeakPolarHBondContact O-CD 3.27Å; Y288-S418 VanDerWaalsContact CE1-CB 3.41Å; Y288-P419 HydrophobicContact CG-CG 4.21Å |
| 289 | Y | 91.6 | Very high | 90.8 | Very high | 46 Ų | 46 | 71.2 Ų | 71.2 | 18% | 0.18 | 35% | 0.354 | C | S | . | . | trans | -126.2 | 63.8 | 180 | -61 | -91.4 | 0 | 0 | 0 | 111.6 | Y284 V285 K291 L292 A345 S348 P419 | Y284-Y289 HydrophobicContact CD1-CE2 4.45Å; Y284-Y289 HydrophobicContact CE1-CE2 4.13Å; V285-Y289 HydrophobicContact CG1-CD2 4.4Å; V285-Y289 CarbonylContact O-C 3.4Å; V285-Y289 WeakPolarHBondContact O-CA 3.2Å; V285-Y289 WeakPolarHBondContact O-CB 3.2Å; V285-Y289 PolarHBondContact O-N 2.98Å; Y289-K291 PolarHBondContact O-N 2.88Å; Y289-L292 HydrophobicContact CG-CD1 4.29Å; Y289-L292 WeakPolarHBondContact O-CB 3.46Å; Y289-L292 PolarHBondContact O-N 3.47Å; Y289-A345 HydrophobicContact CD1-CB 4.02Å; Y289-A345 HydrophobicContact CD2-CB 3.65Å; Y289-A345 HydrophobicContact CE1-CB 4Å; Y289-A345 HydrophobicContact CE2-CB 3.61Å; Y289-A345 HydrophobicContact CG-CB 3.84Å; Y289-S348 PolarHBondContact OH-OG 2.84Å; Y289-P419 HydrophobicContact CE1-CG 4.49Å; Y289-P419 HydrophobicContact CE2-CG 3.62Å; Y289-P419 WeakPolarHBondContact OH-CB 3.17Å; Y289-P419 WeakPolarHBondContact OH-CG 3.17Å | ||
| 290 | P | 88.6 | Confident | 90.7 | Very high | 95 Ų | 95 | 71 Ų | 71 | 62% | 0.617 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -59.6 | -30.2 | 178.1 | 25.8 | -34.5 | 0 | 0 | 0 | 112.5 | Y288 L292 K293 | Y288-P290 VanDerWaalsContact C-CD 3.41Å; Y288-P290 WeakPolarHBondContact O-CD 3.27Å; P290-L292 PolarHBondContact O-N 3.06Å; P290-K293 WeakPolarHBondContact O-CG 3.24Å; P290-K293 PolarHBondContact O-N 2.98Å |
| 291 | K | 88.3 | Confident | 90.7 | Very high | 168 Ų | 168 | 69.2 Ų | 69.2 | 73% | 0.73 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -48.2 | -33.8 | 171.7 | -67.3 | -172.3 | 179.2 | -177.4 | 0 | 111 | Y289 E434 | Y289-K291 PolarHBondContact O-N 2.88Å; K291-E434 IonicContact NZ-OE1 2.63Å; K291-E434 PolarHBondContact NZ-OE1 2.58Å |
| 292 | L | 87.8 | Confident | 90.7 | Very high | 30 Ų | 30 | 72.3 Ų | 72.3 | 16% | 0.157 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -81.8 | -13.8 | -179.3 | -67 | 173.7 | 0 | 0 | 0 | 116.5 | V285 Y289 P290 V294 L341 M342 A345 | V285-L292 HydrophobicContact CG1-CB 4.44Å; V285-L292 HydrophobicContact CG1-CD1 3.71Å; Y289-L292 HydrophobicContact CG-CD1 4.29Å; Y289-L292 WeakPolarHBondContact O-CB 3.46Å; Y289-L292 PolarHBondContact O-N 3.47Å; P290-L292 PolarHBondContact O-N 3.06Å; L292-V294 VanDerWaalsContact C-N 3.3Å; L292-V294 HydrophobicContact CB-CG2 3.85Å; L292-V294 PolarHBondContact O-N 3.48Å; L292-V294 VanDerWaalsContact O-N 3.16Å; L292-L341 HydrophobicContact CD2-CB 4.41Å; L292-M342 HydrophobicContact CD1-CE 4.04Å; L292-M342 HydrophobicContact CD1-SD 4.18Å; L292-M342 HydrophobicContact CD2-CB 4.39Å; L292-M342 HydrophobicContact CD2-SD 4.41Å; L292-A345 HydrophobicContact CD1-CB 3.68Å |
| 293 | K | 87.4 | Confident | 90.6 | Very high | 137 Ų | 137 | 74.2 Ų | 74.2 | 60% | 0.596 | 36% | 0.363 | S | S | * | . | trans | 52.2 | 36.2 | 174 | -59.2 | 176.1 | -177.6 | 171.6 | 0 | 115.6 | P290 D295 V296 R297 | P290-K293 WeakPolarHBondContact O-CG 3.24Å; P290-K293 PolarHBondContact O-N 2.98Å; K293-D295 VanDerWaalsContact C-N 3.33Å; K293-D295 PolarHBondContact O-N 2.75Å; K293-V296 PolarHBondContact O-N 2.98Å; K293-R297 PolarHBondContact O-N 3.21Å; K293-R297 VanDerWaalsContact O-N 3.09Å | ||
| 294 | V | 88 | Confident | 90.6 | Very high | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -24.1 | -171.1 | -179 | 0 | 0 | 0 | 0 | 114.4 | K282 V285 L292 R297 P298 L301 M342 | K282-V294 HydrophobicContact CG-CG1 4.04Å; V285-V294 HydrophobicContact CG1-CB 4.47Å; V285-V294 HydrophobicContact CG1-CG2 3.65Å; L292-V294 VanDerWaalsContact C-N 3.3Å; L292-V294 HydrophobicContact CB-CG2 3.85Å; L292-V294 PolarHBondContact O-N 3.48Å; L292-V294 VanDerWaalsContact O-N 3.16Å; V294-R297 CarbonylContact O-C 3.53Å; V294-P298 VanDerWaalsContact O-CA 3.27Å; V294-P298 WeakPolarHBondContact O-CA 3.45Å; V294-P298 VanDerWaalsContact O-N 3.11Å; V294-L301 HydrophobicContact CG1-CB 3.65Å; V294-L301 HydrophobicContact CG1-CD2 3.79Å; V294-L301 HydrophobicContact CG1-CG 4.34Å; V294-M342 HydrophobicContact CG2-CE 4.4Å |
| 295 | D | 86.9 | Confident | 90.5 | Very high | 84 Ų | 84 | 69 Ų | 69 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -39.6 | 174.1 | -75.1 | -61.8 | 0 | 0 | 0 | 113.5 | K282 S286 K293 | K282-D295 WeakPolarHBondContact CE-OD1 3.37Å; K282-D295 IonicContact NZ-OD1 2.65Å; K282-D295 PolarHBondContact NZ-OD1 2.9Å; S286-D295 WeakPolarHBondContact CB-OD2 3.35Å; S286-D295 PolarHBondContact OG-OD2 2.99Å; K293-D295 VanDerWaalsContact C-N 3.33Å; K293-D295 PolarHBondContact O-N 2.75Å |
| 296 | V | 89.2 | Confident | 90.5 | Very high | 125 Ų | 125 | 71.8 Ų | 71.8 | 76% | 0.758 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -39.5 | 177.1 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | K293 P298 | K293-V296 PolarHBondContact O-N 2.98Å; V296-P298 VanDerWaalsContact C-CD 3.46Å; V296-P298 WeakPolarHBondContact O-CD 3.29Å |
| 297 | R | 87.9 | Confident | 90.4 | Very high | 129 Ų | 129 | 77.4 Ų | 77.4 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | trans | -123.5 | 67.6 | -177.2 | -55.7 | -172.2 | -62.1 | 178.2 | 0.3 | 112.6 | K293 V294 Q299 L300 | K293-R297 PolarHBondContact O-N 3.21Å; K293-R297 VanDerWaalsContact O-N 3.09Å; V294-R297 CarbonylContact O-C 3.53Å; R297-Q299 PolarHBondContact O-N 3.35Å; R297-L300 HydrophobicContact CB-CD1 4.05Å; R297-L300 PolarHBondContact O-N 3.47Å | ||
| 298 | P | 88.5 | Confident | 90.4 | Very high | 42 Ų | 42 | 71.5 Ų | 71.5 | 27% | 0.273 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.8 | -15.6 | -179.3 | 25.9 | -35.2 | 0 | 0 | 0 | 113.7 | Y278 V294 V296 L300 K302 | Y278-P298 PolarHBondContact OH-O 3.44Å; V294-P298 VanDerWaalsContact O-CA 3.27Å; V294-P298 WeakPolarHBondContact O-CA 3.45Å; V294-P298 VanDerWaalsContact O-N 3.11Å; V296-P298 VanDerWaalsContact C-CD 3.46Å; V296-P298 WeakPolarHBondContact O-CD 3.29Å; P298-L300 VanDerWaalsContact C-N 3.31Å; P298-L300 PolarHBondContact O-N 3.36Å; P298-K302 WeakPolarHBondContact O-CG 3.48Å; P298-K302 PolarHBondContact O-N 3.03Å |
| 299 | Q | 89.8 | Confident | 90.5 | Very high | 111 Ų | 111 | 70 Ų | 70 | 52% | 0.519 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.4 | -26.4 | 174.6 | -54.9 | -65.1 | 18.8 | 0 | 0 | 113.2 | R297 K302 N303 | R297-Q299 PolarHBondContact O-N 3.35Å; Q299-K302 PolarHBondContact O-N 2.93Å; Q299-K302 VanDerWaalsContact OE1-CD 3.29Å; Q299-N303 WeakPolarHBondContact O-CB 3.33Å; Q299-N303 PolarHBondContact O-N 3Å; Q299-N303 PolarHBondContact O-ND2 2.87Å; Q299-N303 PolarHBondContact O-OD1 3Å |
| 300 | L | 91.3 | Very high | 90.5 | Very high | 71 Ų | 71 | 74.1 Ų | 74.1 | 37% | 0.372 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65 | -51.6 | 176.2 | -93.4 | 62.6 | 0 | 0 | 0 | 110.9 | R297 P298 K302 N303 A304 | R297-L300 HydrophobicContact CB-CD1 4.05Å; R297-L300 PolarHBondContact O-N 3.47Å; P298-L300 VanDerWaalsContact C-N 3.31Å; P298-L300 PolarHBondContact O-N 3.36Å; L300-K302 VanDerWaalsContact C-N 3.29Å; L300-K302 PolarHBondContact O-N 3.48Å; L300-N303 PolarHBondContact O-N 2.89Å; L300-A304 WeakPolarHBondContact O-CB 3.31Å; L300-A304 PolarHBondContact O-N 3.26Å |
| 301 | L | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 174.6 | 171.7 | 62.4 | 0 | 0 | 0 | 111.5 | Y278 I281 K282 V294 A304 L305 M342 I346 | Y278-L301 HydrophobicContact CD2-CD2 4.29Å; Y278-L301 HydrophobicContact CE2-CD2 3.71Å; Y278-L301 HydrophobicContact CE2-CG 3.87Å; I281-L301 HydrophobicContact CG2-CD1 3.85Å; I281-L301 HydrophobicContact CG2-CD2 4.3Å; K282-L301 HydrophobicContact CB-CD2 3.81Å; K282-L301 HydrophobicContact CG-CD2 4.18Å; V294-L301 HydrophobicContact CG1-CB 3.65Å; V294-L301 HydrophobicContact CG1-CD2 3.79Å; V294-L301 HydrophobicContact CG1-CG 4.34Å; L301-A304 PolarHBondContact O-N 2.89Å; L301-L305 HydrophobicContact CD1-CD1 3.78Å; L301-L305 HydrophobicContact CD1-CG 3.99Å; L301-L305 HydrophobicContact CG-CD1 3.91Å; L301-L305 WeakPolarHBondContact O-CB 3.45Å; L301-L305 VanDerWaalsContact O-CG 3.31Å; L301-L305 WeakPolarHBondContact O-CG 3.11Å; L301-L305 PolarHBondContact O-N 3.17Å; L301-M342 HydrophobicContact CB-CE 4.32Å; L301-M342 HydrophobicContact CD1-CE 3.75Å; L301-I346 HydrophobicContact CD1-CD1 3.81Å; L301-I346 HydrophobicContact CD1-CG1 3.65Å |
| 302 | K | 92.8 | Very high | 90.6 | Very high | 66 Ų | 66 | 68.9 Ų | 68.9 | 29% | 0.287 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.4 | -48.8 | 177 | -77.1 | 178 | 172.5 | -175.6 | 0 | 112.5 | Y278 P298 Q299 L300 A304 L305 Q306 A322 | Y278-K302 HydrophobicContact CE2-CG 3.56Å; P298-K302 WeakPolarHBondContact O-CG 3.48Å; P298-K302 PolarHBondContact O-N 3.03Å; Q299-K302 PolarHBondContact O-N 2.93Å; Q299-K302 VanDerWaalsContact OE1-CD 3.29Å; L300-K302 VanDerWaalsContact C-N 3.29Å; L300-K302 PolarHBondContact O-N 3.48Å; K302-A304 VanDerWaalsContact C-N 3.32Å; K302-A304 PolarHBondContact O-N 2.68Å; K302-L305 PolarHBondContact O-N 2.96Å; K302-Q306 WeakPolarHBondContact O-CB 3.44Å; K302-Q306 PolarHBondContact O-N 3.09Å; K302-A322 HydrophobicContact CB-CB 3.54Å; K302-A322 HydrophobicContact CG-CB 3.86Å; K302-A322 VanDerWaalsContact O-CB 3.25Å; K302-A322 WeakPolarHBondContact O-CB 3.49Å |
| 303 | N | 93.1 | Very high | 90.7 | Very high | 92 Ų | 92 | 68.7 Ų | 68.7 | 49% | 0.492 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67 | -34.3 | -180 | -67.9 | -6.6 | 0 | 0 | 0 | 111.7 | Q299 L300 R307 | Q299-N303 WeakPolarHBondContact O-CB 3.33Å; Q299-N303 PolarHBondContact O-N 3Å; Q299-N303 PolarHBondContact O-ND2 2.87Å; Q299-N303 PolarHBondContact O-OD1 3Å; L300-N303 PolarHBondContact O-N 2.89Å; N303-R307 WeakPolarHBondContact O-CB 3.38Å; N303-R307 VanDerWaalsContact O-CG 3.23Å; N303-R307 WeakPolarHBondContact O-CG 3.4Å; N303-R307 PolarHBondContact O-N 2.76Å |
| 304 | A | 92.9 | Very high | 90.9 | Very high | 12 Ų | 12 | 62.3 Ų | 62.3 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.1 | -47 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L300 L301 K302 Q306 R307 A308 M342 I346 | L300-A304 WeakPolarHBondContact O-CB 3.31Å; L300-A304 PolarHBondContact O-N 3.26Å; L301-A304 PolarHBondContact O-N 2.89Å; K302-A304 VanDerWaalsContact C-N 3.32Å; K302-A304 PolarHBondContact O-N 2.68Å; A304-Q306 PolarHBondContact O-N 2.92Å; A304-R307 PolarHBondContact O-N 3.05Å; A304-A308 WeakPolarHBondContact O-CB 3.27Å; A304-A308 PolarHBondContact O-N 2.89Å; A304-M342 HydrophobicContact CB-CG 3.54Å; A304-I346 HydrophobicContact CB-CD1 3.8Å |
| 305 | L | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 175.3 | -72.7 | 167.3 | 0 | 0 | 0 | 112.1 | Y278 I281 L301 K302 A308 V309 L314 F326 I346 | Y278-L305 HydrophobicContact CD2-CD1 3.64Å; Y278-L305 HydrophobicContact CE2-CD1 4.13Å; I281-L305 HydrophobicContact CD1-CD2 4.28Å; L301-L305 HydrophobicContact CD1-CD1 3.78Å; L301-L305 HydrophobicContact CD1-CG 3.99Å; L301-L305 HydrophobicContact CG-CD1 3.91Å; L301-L305 WeakPolarHBondContact O-CB 3.45Å; L301-L305 VanDerWaalsContact O-CG 3.31Å; L301-L305 WeakPolarHBondContact O-CG 3.11Å; L301-L305 PolarHBondContact O-N 3.17Å; K302-L305 PolarHBondContact O-N 2.96Å; L305-A308 PolarHBondContact O-N 2.77Å; L305-V309 WeakPolarHBondContact O-CG2 3.34Å; L305-V309 PolarHBondContact O-N 2.73Å; L305-L314 HydrophobicContact CD2-CD1 3.63Å; L305-F326 HydrophobicContact CB-CE1 4.33Å; L305-F326 HydrophobicContact CB-CZ 4.19Å; L305-F326 HydrophobicContact CD1-CD2 4.29Å; L305-F326 HydrophobicContact CD1-CE2 3.85Å; L305-F326 HydrophobicContact CD1-CZ 4.25Å; L305-F326 HydrophobicContact CD2-CD2 4.1Å; L305-F326 HydrophobicContact CD2-CE2 4.36Å; L305-F326 HydrophobicContact CD2-CG 4.18Å; L305-I346 HydrophobicContact CD2-CD1 4.09Å; L305-I346 HydrophobicContact CD2-CG1 4.38Å; L305-I346 HydrophobicContact CD2-CG2 3.74Å; L305-I346 HydrophobicContact CG-CD1 4.13Å |
| 306 | Q | 93.1 | Very high | 91.4 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 27% | 0.271 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.1 | -50 | 175.7 | -175.2 | 63.2 | 38.7 | 0 | 0 | 111.2 | K302 A304 A308 V309 E310 G321 A322 | K302-Q306 WeakPolarHBondContact O-CB 3.44Å; K302-Q306 PolarHBondContact O-N 3.09Å; A304-Q306 PolarHBondContact O-N 2.92Å; Q306-A308 PolarHBondContact O-N 2.94Å; Q306-V309 PolarHBondContact O-N 2.63Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.49Å; Q306-E310 PolarHBondContact NE2-OE1 3.3Å; Q306-E310 WeakPolarHBondContact O-CG 3.17Å; Q306-E310 PolarHBondContact O-N 2.99Å; Q306-G321 VanDerWaalsContact OE1-C 3.3Å; Q306-A322 HydrophobicContact CB-CB 4.35Å |
| 307 | R | 92.3 | Very high | 91.5 | Very high | 163 Ų | 163 | 62.6 Ų | 62.6 | 62% | 0.615 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.8 | -40.2 | 175.6 | -74.9 | 170.7 | 176.2 | -169.7 | -2.1 | 112.7 | N303 A304 V309 E310 K311 | N303-R307 WeakPolarHBondContact O-CB 3.38Å; N303-R307 VanDerWaalsContact O-CG 3.23Å; N303-R307 WeakPolarHBondContact O-CG 3.4Å; N303-R307 PolarHBondContact O-N 2.76Å; A304-R307 PolarHBondContact O-N 3.05Å; R307-V309 VanDerWaalsContact C-N 3.32Å; R307-V309 PolarHBondContact O-N 3.23Å; R307-E310 PolarHBondContact O-N 3.5Å; R307-K311 WeakPolarHBondContact O-CB 3.4Å; R307-K311 VanDerWaalsContact O-CG 3.23Å; R307-K311 WeakPolarHBondContact O-CG 3.29Å; R307-K311 PolarHBondContact O-N 2.83Å |
| 308 | A | 91.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.6 | -31.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A304 L305 Q306 G312 Q313 L314 L337 | A304-A308 WeakPolarHBondContact O-CB 3.27Å; A304-A308 PolarHBondContact O-N 2.89Å; L305-A308 PolarHBondContact O-N 2.77Å; Q306-A308 PolarHBondContact O-N 2.94Å; A308-G312 PolarHBondContact O-N 3.05Å; A308-Q313 WeakPolarHBondContact O-CB 3.31Å; A308-Q313 PolarHBondContact O-N 3.37Å; A308-L314 HydrophobicContact CB-CB 4.36Å; A308-L314 HydrophobicContact CB-CD1 3.74Å; A308-L314 HydrophobicContact CB-CG 3.88Å; A308-L314 PolarHBondContact O-N 2.65Å; A308-L337 HydrophobicContact CB-CD1 3.74Å |
| 309 | V | 93.2 | Very high | 91.4 | Very high | 38 Ų | 38 | 60.1 Ų | 60.1 | 23% | 0.23 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.9 | -43 | 170 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | L305 Q306 R307 K311 G312 L314 Q316 F326 | L305-V309 WeakPolarHBondContact O-CG2 3.34Å; L305-V309 PolarHBondContact O-N 2.73Å; Q306-V309 PolarHBondContact O-N 2.63Å; R307-V309 VanDerWaalsContact C-N 3.32Å; R307-V309 PolarHBondContact O-N 3.23Å; V309-K311 PolarHBondContact O-N 2.85Å; V309-G312 WeakPolarHBondContact O-CA 3.32Å; V309-G312 PolarHBondContact O-N 3.06Å; V309-L314 WeakPolarHBondContact CA-O 3.46Å; V309-L314 HydrophobicContact CG2-CB 3.85Å; V309-Q316 HydrophobicContact CG2-CB 4.43Å; V309-F326 HydrophobicContact CG2-CD1 3.82Å; V309-F326 HydrophobicContact CG2-CE1 3.92Å |
| 310 | E | 92.2 | Very high | 91.1 | Very high | 133 Ų | 133 | 64.1 Ų | 64.1 | 62% | 0.621 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.6 | -36.8 | 177.2 | -72.6 | 163.5 | -178.8 | 0 | 0 | 113 | Q306 R307 G312 | Q306-E310 WeakPolarHBondContact CG-OE1 3.49Å; Q306-E310 PolarHBondContact NE2-OE1 3.3Å; Q306-E310 WeakPolarHBondContact O-CG 3.17Å; Q306-E310 PolarHBondContact O-N 2.99Å; R307-E310 PolarHBondContact O-N 3.5Å; E310-G312 PolarHBondContact O-N 2.7Å |
| 311 | K | 90.7 | Very high | 90.6 | Very high | 122 Ų | 122 | 62 Ų | 62 | 53% | 0.53 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -10.7 | 169.5 | -71.5 | 171.4 | 174.1 | -177.9 | 0 | 113.2 | R307 V309 Q313 E343 | R307-K311 WeakPolarHBondContact O-CB 3.4Å; R307-K311 VanDerWaalsContact O-CG 3.23Å; R307-K311 WeakPolarHBondContact O-CG 3.29Å; R307-K311 PolarHBondContact O-N 2.83Å; V309-K311 PolarHBondContact O-N 2.85Å; K311-Q313 VanDerWaalsContact C-N 3.29Å; K311-Q313 HydrophobicContact CB-CG 3.88Å; K311-Q313 HydrophobicContact CD-CG 4.41Å; K311-Q313 PolarHBondContact O-N 3.02Å; K311-E343 VanDerWaalsContact NZ-CD 3.34Å; K311-E343 IonicContact NZ-OE1 2.59Å; K311-E343 PolarHBondContact NZ-OE1 3.38Å; K311-E343 IonicContact NZ-OE2 2.67Å; K311-E343 PolarHBondContact NZ-OE2 3.3Å |
| 312 | G | 88.9 | Confident | 89.8 | Confident | 31 Ų | 31 | 63 Ų | 63 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 14.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A308 V309 E310 K329 | A308-G312 PolarHBondContact O-N 3.05Å; V309-G312 WeakPolarHBondContact O-CA 3.32Å; V309-G312 PolarHBondContact O-N 3.06Å; E310-G312 PolarHBondContact O-N 2.7Å; G312-K329 WeakPolarHBondContact O-CD 3.23Å |
| 313 | Q | 89.9 | Confident | 89.5 | Confident | 25 Ų | 25 | 62.9 Ų | 62.9 | 12% | 0.117 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -78.4 | -30.6 | 176.9 | -58.5 | 171.8 | -56.5 | 0 | 0 | 111.9 | A308 K311 K329 L336 L337 | A308-Q313 WeakPolarHBondContact O-CB 3.31Å; A308-Q313 PolarHBondContact O-N 3.37Å; K311-Q313 VanDerWaalsContact C-N 3.29Å; K311-Q313 HydrophobicContact CB-CG 3.88Å; K311-Q313 HydrophobicContact CD-CG 4.41Å; K311-Q313 PolarHBondContact O-N 3.02Å; Q313-K329 VanDerWaalsContact O-CB 3.29Å; Q313-K329 WeakPolarHBondContact O-CB 3.23Å; Q313-K329 PolarHBondContact O-N 2.92Å; Q313-L336 HydrophobicContact CB-CB 4.14Å; Q313-L336 HydrophobicContact CG-CB 4.11Å; Q313-L336 WeakPolarHBondContact CG-O 3.5Å; Q313-L336 PolarHBondContact NE2-O 2.86Å; Q313-L337 HydrophobicContact CB-CB 4.23Å; Q313-L337 HydrophobicContact CB-CD1 4.12Å |
| 314 | L | 91.7 | Very high | 89.3 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 150.7 | 172.5 | -66.4 | -178 | 0 | 0 | 0 | 110.5 | L305 A308 V309 F326 Q327 L328 L337 I346 I350 | L305-L314 HydrophobicContact CD2-CD1 3.63Å; A308-L314 HydrophobicContact CB-CB 4.36Å; A308-L314 HydrophobicContact CB-CD1 3.74Å; A308-L314 HydrophobicContact CB-CG 3.88Å; A308-L314 PolarHBondContact O-N 2.65Å; V309-L314 WeakPolarHBondContact CA-O 3.46Å; V309-L314 HydrophobicContact CG2-CB 3.85Å; L314-F326 HydrophobicContact CD1-CB 4.26Å; L314-Q327 WeakPolarHBondContact CA-O 3.43Å; L314-L328 HydrophobicContact CD2-CB 4.4Å; L314-L328 HydrophobicContact CD2-CD1 3.71Å; L314-L337 HydrophobicContact CD1-CD2 4.23Å; L314-L337 HydrophobicContact CD2-CD2 4Å; L314-L337 HydrophobicContact CG-CD2 4.17Å; L314-I346 HydrophobicContact CD1-CG2 4.19Å; L314-I350 HydrophobicContact CD1-CD1 4.19Å; L314-I350 HydrophobicContact CD2-CD1 3.65Å |
| 315 | E | 91.8 | Very high | 89.3 | Confident | 83 Ų | 83 | 60.2 Ų | 60.2 | 39% | 0.388 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.3 | 172 | -170.5 | 159.7 | 153.1 | 0 | 0 | 109.8 | I317 F326 Q327 K329 | E315-I317 PolarHBondContact O-N 3.29Å; E315-F326 WeakPolarHBondContact O-CA 3.22Å; E315-Q327 HydrophobicContact CB-CB 4.39Å; E315-Q327 PolarHBondContact N-O 3.28Å; E315-Q327 PolarHBondContact O-N 3.5Å; E315-K329 IonicContact OE2-NZ 3.13Å; E315-K329 PolarHBondContact OE2-NZ 2.64Å |
| 316 | Q | 92.9 | Very high | 89.3 | Confident | 54 Ų | 54 | 60.3 Ų | 60.3 | 25% | 0.252 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 105.2 | 179.1 | 177.9 | 166.5 | 33.2 | 0 | 0 | 110 | V309 T318 G321 S323 F326 | V309-Q316 HydrophobicContact CG2-CB 4.43Å; Q316-T318 VanDerWaalsContact CG-O 3.22Å; Q316-T318 WeakPolarHBondContact CG-O 3.11Å; Q316-T318 PolarHBondContact NE2-O 2.89Å; Q316-T318 VanDerWaalsContact NE2-O 3.07Å; Q316-G321 PolarHBondContact NE2-O 3.19Å; Q316-G321 PolarHBondContact OE1-O 3.38Å; Q316-S323 PolarHBondContact NE2-O 3.42Å; Q316-F326 HydrophobicContact CB-CD1 4.47Å; Q316-F326 HydrophobicContact CB-CE1 4.44Å; Q316-F326 HydrophobicContact CG-CE1 4.49Å |
| 317 | I | 91.2 | Very high | 89.3 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 42% | 0.415 | 32% | 0.324 | S | S | . | . | trans | -79.8 | -37.4 | 178 | -60.5 | 176.8 | 0 | 0 | 0 | 110.9 | E275 E315 T325 Q327 | E275-I317 HydrophobicContact CG-CD1 3.94Å; E275-I317 WeakPolarHBondContact OE1-CD1 3.16Å; E275-I317 WeakPolarHBondContact OE2-CD1 3.43Å; E315-I317 PolarHBondContact O-N 3.29Å; I317-T325 PolarHBondContact N-O 3.25Å; I317-T325 VanDerWaalsContact N-O 3.1Å; I317-Q327 HydrophobicContact CD1-CB 3.75Å; I317-Q327 HydrophobicContact CD1-CG 4.23Å; I317-Q327 HydrophobicContact CG1-CB 4.13Å | ||
| 318 | T | 89.6 | Confident | 89.3 | Confident | 63 Ų | 63 | 52.6 Ų | 52.6 | 39% | 0.387 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -134.5 | 157 | -176.4 | 72.7 | 0 | 0 | 0 | 0 | 112.2 | Q316 G324 T325 | Q316-T318 VanDerWaalsContact CG-O 3.22Å; Q316-T318 WeakPolarHBondContact CG-O 3.11Å; Q316-T318 PolarHBondContact NE2-O 2.89Å; Q316-T318 VanDerWaalsContact NE2-O 3.07Å; T318-G324 WeakPolarHBondContact O-CA 3.33Å; T318-T325 WeakPolarHBondContact OG1-CB 3.38Å; T318-T325 PolarHBondContact OG1-N 3.32Å; T318-T325 PolarHBondContact OG1-OG1 3.43Å |
| 319 | G | 84.6 | Confident | 89.1 | Confident | 56 Ų | 56 | 56.8 Ų | 56.8 | 58% | 0.577 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 83.6 | -161.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S323 | G319-S323 WeakPolarHBondContact CA-O 3.44Š|
| 320 | K | 83.3 | Confident | 88.6 | Confident | 194 Ų | 194 | 59.1 Ų | 59.1 | 84% | 0.843 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -145.9 | 129.4 | 178.3 | -68.4 | -173.8 | 178.3 | -178.9 | 0 | 109.4 | S323 | K320-S323 PolarHBondContact N-O 3.41Š|
| 321 | G | 80.4 | Confident | 87.1 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 27% | 0.268 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 61.3 | -144.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q306 Q316 S323 | Q306-G321 VanDerWaalsContact OE1-C 3.3Å; Q316-G321 PolarHBondContact NE2-O 3.19Å; Q316-G321 PolarHBondContact OE1-O 3.38Å; G321-S323 PolarHBondContact O-N 3.47Å |
| 322 | A | 77.5 | Confident | 85.8 | Confident | 21 Ų | 21 | 53.3 Ų | 53.3 | 17% | 0.174 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -69.8 | 33.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | K302 Q306 | K302-A322 HydrophobicContact CB-CB 3.54Å; K302-A322 HydrophobicContact CG-CB 3.86Å; K302-A322 VanDerWaalsContact O-CB 3.25Å; K302-A322 WeakPolarHBondContact O-CB 3.49Å; Q306-A322 HydrophobicContact CB-CB 4.35Å |
| 323 | S | 84.8 | Confident | 84.5 | Confident | 65 Ų | 65 | 59.5 Ų | 59.5 | 46% | 0.455 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -150.8 | 136.2 | 178.9 | -173.2 | 0 | 0 | 0 | 0 | 112 | Q316 G319 K320 G321 | Q316-S323 PolarHBondContact NE2-O 3.42Å; G319-S323 WeakPolarHBondContact CA-O 3.44Å; K320-S323 PolarHBondContact N-O 3.41Å; G321-S323 PolarHBondContact O-N 3.47Å |
| 324 | G | 89.9 | Confident | 83.5 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | S | Bend | trans | 132.6 | -151 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S277 Y278 T318 | S277-G324 CarbonylContact C-O 3.57Å; S277-G324 VanDerWaalsContact CA-O 3.29Å; S277-G324 WeakPolarHBondContact CA-O 3.21Å; Y278-G324 PolarHBondContact N-O 3.41Å; T318-G324 WeakPolarHBondContact O-CA 3.33Å |
| 325 | T | 93.1 | Very high | 82.8 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128 | 175 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | E275 I317 T318 | E275-T325 HydrophobicContact CB-CG2 3.97Å; I317-T325 PolarHBondContact N-O 3.25Å; I317-T325 VanDerWaalsContact N-O 3.1Å; T318-T325 WeakPolarHBondContact OG1-CB 3.38Å; T318-T325 PolarHBondContact OG1-N 3.32Å; T318-T325 PolarHBondContact OG1-OG1 3.43Å |
| 326 | F | 93.4 | Very high | 82.1 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 0% | 0.004 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131 | 177.8 | -57.7 | -85.4 | 0 | 0 | 0 | 109.9 | E275 A276 I281 L305 V309 L314 E315 Q316 | E275-F326 WeakPolarHBondContact CA-O 3.4Å; A276-F326 PolarHBondContact N-O 3.33Å; A276-F326 PolarHBondContact O-N 3.17Å; I281-F326 HydrophobicContact CD1-CD2 4.11Å; L305-F326 HydrophobicContact CB-CE1 4.33Å; L305-F326 HydrophobicContact CB-CZ 4.19Å; L305-F326 HydrophobicContact CD1-CD2 4.29Å; L305-F326 HydrophobicContact CD1-CE2 3.85Å; L305-F326 HydrophobicContact CD1-CZ 4.25Å; L305-F326 HydrophobicContact CD2-CD2 4.1Å; L305-F326 HydrophobicContact CD2-CE2 4.36Å; L305-F326 HydrophobicContact CD2-CG 4.18Å; V309-F326 HydrophobicContact CG2-CD1 3.82Å; V309-F326 HydrophobicContact CG2-CE1 3.92Å; L314-F326 HydrophobicContact CD1-CB 4.26Å; E315-F326 WeakPolarHBondContact O-CA 3.22Å; Q316-F326 HydrophobicContact CB-CD1 4.47Å; Q316-F326 HydrophobicContact CB-CE1 4.44Å; Q316-F326 HydrophobicContact CG-CE1 4.49Å |
| 327 | Q | 92.8 | Very high | 81.5 | Confident | 50 Ų | 50 | 66 Ų | 66 | 23% | 0.234 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 137.1 | 174.6 | -169.7 | -176.9 | 72.8 | 0 | 0 | 109.7 | P273 K274 E275 L314 E315 I317 K329 | P273-Q327 HydrophobicContact CB-CG 4.39Å; K274-Q327 WeakPolarHBondContact O-CA 3.47Å; E275-Q327 HydrophobicContact CG-CB 3.78Å; E275-Q327 HydrophobicContact CG-CG 3.69Å; E275-Q327 PolarHBondContact OE1-NE2 2.95Å; L314-Q327 WeakPolarHBondContact CA-O 3.43Å; E315-Q327 HydrophobicContact CB-CB 4.39Å; E315-Q327 PolarHBondContact N-O 3.28Å; E315-Q327 PolarHBondContact O-N 3.5Å; I317-Q327 HydrophobicContact CD1-CB 3.75Å; I317-Q327 HydrophobicContact CD1-CG 4.23Å; I317-Q327 HydrophobicContact CG1-CB 4.13Å; Q327-K329 PolarHBondContact O-N 2.85Å |
| 328 | L | 91.4 | Very high | 80.9 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 5% | 0.052 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 111.9 | 179.5 | -173.5 | 58.8 | 0 | 0 | 0 | 110.9 | K274 L314 P335 L337 L347 I350 | K274-L328 HydrophobicContact CB-CB 4.16Å; K274-L328 PolarHBondContact O-N 3.43Å; L314-L328 HydrophobicContact CD2-CB 4.4Å; L314-L328 HydrophobicContact CD2-CD1 3.71Å; L328-P335 HydrophobicContact CD1-CB 4.05Å; L328-P335 HydrophobicContact CD2-CB 3.85Å; L328-P335 HydrophobicContact CD2-CG 3.83Å; L328-P335 HydrophobicContact CG-CB 4.01Å; L328-P335 HydrophobicContact CG-CG 4.46Å; L328-L337 HydrophobicContact CD1-CB 3.83Å; L328-L337 HydrophobicContact CD1-CD2 4.28Å; L328-L347 HydrophobicContact CD2-CG 4.49Å; L328-I350 HydrophobicContact CB-CG2 4.13Å |
| 329 | K | 88.6 | Confident | 80.4 | Confident | 87 Ų | 87 | 63.8 Ų | 63.8 | 38% | 0.378 | 39% | 0.386 | S | S | . | . | trans | -76.4 | 136.9 | -179.7 | -146.8 | -178.2 | -169.1 | 99.4 | 0 | 110.3 | G312 Q313 E315 Q327 L336 | G312-K329 WeakPolarHBondContact O-CD 3.23Å; Q313-K329 VanDerWaalsContact O-CB 3.29Å; Q313-K329 WeakPolarHBondContact O-CB 3.23Å; Q313-K329 PolarHBondContact O-N 2.92Å; E315-K329 IonicContact OE2-NZ 3.13Å; E315-K329 PolarHBondContact OE2-NZ 2.64Å; Q327-K329 PolarHBondContact O-N 2.85Å; K329-L336 PolarHBondContact O-N 2.94Å | ||
| 330 | K | 81.6 | Confident | 80.5 | Confident | 88 Ų | 88 | 64.5 Ų | 64.5 | 38% | 0.383 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.4 | -176.4 | -64.8 | -167.8 | 177.1 | -162.9 | 0 | 112.1 | E272 | E272-K330 IonicContact OE1-NZ 2.72Å; E272-K330 PolarHBondContact OE1-NZ 2.67Å |
| 331 | S | 60.2 | Low | 80.8 | Confident | 71 Ų | 71 | 61.4 Ų | 61.4 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 84.1 | 165.3 | 58.4 | 0 | 0 | 0 | 0 | 108.9 | L336 | S331-L336 WeakPolarHBondContact OG-CD2 3.39Å; S331-L336 WeakPolarHBondContact OG-CG 3.43Å |
| 332 | G | 64.8 | Low | 81.2 | Confident | 61 Ų | 61 | 61.4 Ų | 61.4 | 63% | 0.629 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | -148.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 333 | E | 60.3 | Low | 81.9 | Confident | 161 Ų | 161 | 61 Ų | 61 | 75% | 0.752 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -25 | -175.6 | -67.8 | -172.1 | 137.9 | 0 | 0 | 113.6 | K366 | E333-K366 IonicContact OE1-NZ 2.7Å; E333-K366 PolarHBondContact OE1-NZ 2.98Å |
| 334 | K | 69.8 | Low | 82.2 | Confident | 174 Ų | 174 | 59.1 Ų | 59.1 | 76% | 0.757 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 142.5 | 177.9 | -65.8 | -170 | 177.9 | -172.2 | 0 | 112 | ||
| 335 | P | 76.6 | Confident | 82.3 | Confident | 47 Ų | 47 | 58.4 Ų | 58.4 | 31% | 0.305 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 155.3 | 170.3 | -24.1 | 36.7 | 0 | 0 | 0 | 113.4 | L328 L347 | L328-P335 HydrophobicContact CD1-CB 4.05Å; L328-P335 HydrophobicContact CD2-CB 3.85Å; L328-P335 HydrophobicContact CD2-CG 3.83Å; L328-P335 HydrophobicContact CG-CB 4.01Å; L328-P335 HydrophobicContact CG-CG 4.46Å; P335-L347 HydrophobicContact CB-CD1 3.73Å; P335-L347 HydrophobicContact CG-CD1 3.86Å |
| 336 | L | 77.1 | Confident | 82.3 | Confident | 75 Ų | 75 | 56.9 Ų | 56.9 | 39% | 0.393 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -82.3 | -13.8 | 174 | -81.3 | 169.1 | 0 | 0 | 0 | 114.3 | Q313 K329 S331 | Q313-L336 HydrophobicContact CB-CB 4.14Å; Q313-L336 HydrophobicContact CG-CB 4.11Å; Q313-L336 WeakPolarHBondContact CG-O 3.5Å; Q313-L336 PolarHBondContact NE2-O 2.86Å; K329-L336 PolarHBondContact O-N 2.94Å; S331-L336 WeakPolarHBondContact OG-CD2 3.39Å; S331-L336 WeakPolarHBondContact OG-CG 3.43Å |
| 337 | L | 80.1 | Confident | 82.3 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | trans | -93.5 | 136.1 | -177.7 | -171.5 | 65.7 | 0 | 0 | 0 | 110.4 | A308 Q313 L314 L328 E343 I346 L347 | A308-L337 HydrophobicContact CB-CD1 3.74Å; Q313-L337 HydrophobicContact CB-CB 4.23Å; Q313-L337 HydrophobicContact CB-CD1 4.12Å; L314-L337 HydrophobicContact CD1-CD2 4.23Å; L314-L337 HydrophobicContact CD2-CD2 4Å; L314-L337 HydrophobicContact CG-CD2 4.17Å; L328-L337 HydrophobicContact CD1-CB 3.83Å; L328-L337 HydrophobicContact CD1-CD2 4.28Å; L337-E343 HydrophobicContact CD1-CB 3.73Å; L337-E343 HydrophobicContact CD1-CG 3.83Å; L337-E343 HydrophobicContact CG-CB 4.04Å; L337-I346 HydrophobicContact CD2-CB 4.13Å; L337-I346 HydrophobicContact CD2-CG2 3.67Å; L337-L347 HydrophobicContact CD2-CB 4.25Å; L337-L347 WeakPolarHBondContact O-CD1 3.18Å | ||
| 338 | G | 79 | Confident | 82.3 | Confident | 28 Ų | 28 | 55.3 Ų | 55.3 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | trans | 144.3 | 170.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | D344 | G338-D344 VanDerWaalsContact CA-OD2 3.24Å; G338-D344 WeakPolarHBondContact CA-OD2 3.37Å | ||
| 339 | G | 79.5 | Confident | 82.4 | Confident | 71 Ų | 71 | 54.8 Ų | 54.8 | 73% | 0.732 | 32% | 0.318 | S | S | * | . | S | Bend | trans | 97.4 | 8.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D344 | G339-D344 PolarHBondContact N-OD2 2.85Š|
| 340 | T | 86.6 | Confident | 82.6 | Confident | 71 Ų | 71 | 50.7 Ų | 50.7 | 44% | 0.436 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -146.3 | 144 | 164.4 | 63 | 0 | 0 | 0 | 0 | 109 | M342 E343 D344 | T340-M342 PolarHBondContact O-N 3.08Å; T340-E343 PolarHBondContact O-N 2.85Å; T340-E343 VanDerWaalsContact OG1-CB 3.3Å; T340-E343 WeakPolarHBondContact OG1-CB 3.03Å; T340-E343 VanDerWaalsContact OG1-CG 3.23Å; T340-E343 WeakPolarHBondContact OG1-CG 3.26Å; T340-E343 PolarHBondContact OG1-N 3.36Å; T340-E343 PolarHBondContact OG1-OE2 3.32Å; T340-D344 PolarHBondContact O-N 2.87Å |
| 341 | L | 88.6 | Confident | 83.2 | Confident | 128 Ų | 128 | 46.6 Ų | 46.6 | 67% | 0.67 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -49.8 | -35.6 | -178.6 | -60 | 176.1 | 0 | 0 | 0 | 113.4 | L292 A345 | L292-L341 HydrophobicContact CD2-CB 4.41Å; L341-A345 WeakPolarHBondContact O-CB 3.48Å; L341-A345 PolarHBondContact O-N 3.48Å |
| 342 | M | 90.3 | Very high | 84.7 | Confident | 26 Ų | 26 | 43.2 Ų | 43.2 | 13% | 0.128 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.8 | -39.4 | 176.9 | -174.3 | 74.5 | -98.9 | 0 | 0 | 112.7 | V285 L292 V294 L301 A304 T340 I346 | V285-M342 HydrophobicContact CG1-CE 4.08Å; L292-M342 HydrophobicContact CD1-CE 4.04Å; L292-M342 HydrophobicContact CD1-SD 4.18Å; L292-M342 HydrophobicContact CD2-CB 4.39Å; L292-M342 HydrophobicContact CD2-SD 4.41Å; V294-M342 HydrophobicContact CG2-CE 4.4Å; L301-M342 HydrophobicContact CB-CE 4.32Å; L301-M342 HydrophobicContact CD1-CE 3.75Å; A304-M342 HydrophobicContact CB-CG 3.54Å; T340-M342 PolarHBondContact O-N 3.08Å; M342-I346 HydrophobicContact CE-CD1 4.02Å; M342-I346 HydrophobicContact CE-CG1 3.89Å; M342-I346 HydrophobicContact CG-CD1 4.35Å; M342-I346 WeakPolarHBondContact O-CD1 3.28Å; M342-I346 WeakPolarHBondContact O-CG1 3.48Å; M342-I346 PolarHBondContact O-N 3.47Å; M342-I346 VanDerWaalsContact O-N 3.08Å |
| 343 | E | 90.9 | Very high | 86 | Confident | 13 Ų | 13 | 40.5 Ų | 40.5 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -76.1 | -37.1 | 179.6 | -70.2 | 175.4 | 155.9 | 0 | 0 | 111.7 | K311 L337 T340 I346 L347 | K311-E343 VanDerWaalsContact NZ-CD 3.34Å; K311-E343 IonicContact NZ-OE1 2.59Å; K311-E343 PolarHBondContact NZ-OE1 3.38Å; K311-E343 IonicContact NZ-OE2 2.67Å; K311-E343 PolarHBondContact NZ-OE2 3.3Å; L337-E343 HydrophobicContact CD1-CB 3.73Å; L337-E343 HydrophobicContact CD1-CG 3.83Å; L337-E343 HydrophobicContact CG-CB 4.04Å; T340-E343 PolarHBondContact O-N 2.85Å; T340-E343 VanDerWaalsContact OG1-CB 3.3Å; T340-E343 WeakPolarHBondContact OG1-CB 3.03Å; T340-E343 VanDerWaalsContact OG1-CG 3.23Å; T340-E343 WeakPolarHBondContact OG1-CG 3.26Å; T340-E343 PolarHBondContact OG1-N 3.36Å; T340-E343 PolarHBondContact OG1-OE2 3.32Å; E343-I346 PolarHBondContact O-N 2.98Å; E343-L347 WeakPolarHBondContact O-CB 3.4Å; E343-L347 PolarHBondContact O-N 2.8Å |
| 344 | D | 91.3 | Very high | 87.5 | Confident | 26 Ų | 26 | 33.1 Ų | 33.1 | 14% | 0.139 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.9 | -37.9 | 171.8 | -81.6 | -93.8 | 0 | 0 | 0 | 112.6 | G338 G339 T340 L347 S348 K426 | G338-D344 VanDerWaalsContact CA-OD2 3.24Å; G338-D344 WeakPolarHBondContact CA-OD2 3.37Å; G339-D344 PolarHBondContact N-OD2 2.85Å; T340-D344 PolarHBondContact O-N 2.87Å; D344-L347 PolarHBondContact O-N 2.74Å; D344-S348 WeakPolarHBondContact O-CB 3.27Å; D344-S348 PolarHBondContact O-N 2.77Å; D344-S348 PolarHBondContact O-OG 3.48Å; D344-K426 IonicContact OD1-NZ 3.21Å; D344-K426 PolarHBondContact OD1-NZ 2.89Å |
| 345 | A | 92.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -37.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | V285 Y289 L292 L341 A349 | V285-A345 HydrophobicContact CG1-CB 4.23Å; V285-A345 HydrophobicContact CG2-CB 4.17Å; Y289-A345 HydrophobicContact CD1-CB 4.02Å; Y289-A345 HydrophobicContact CD2-CB 3.65Å; Y289-A345 HydrophobicContact CE1-CB 4Å; Y289-A345 HydrophobicContact CE2-CB 3.61Å; Y289-A345 HydrophobicContact CG-CB 3.84Å; L292-A345 HydrophobicContact CD1-CB 3.68Å; L341-A345 WeakPolarHBondContact O-CB 3.48Å; L341-A345 PolarHBondContact O-N 3.48Å; A345-A349 WeakPolarHBondContact O-CB 3.42Å; A345-A349 PolarHBondContact O-N 2.87Å |
| 346 | I | 93.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.6 | -44.6 | 173 | -70.6 | 161.5 | 0 | 0 | 0 | 110.9 | I281 L301 A304 L305 L314 L337 M342 E343 S348 A349 I350 | I281-I346 HydrophobicContact CG2-CG1 4.34Å; L301-I346 HydrophobicContact CD1-CD1 3.81Å; L301-I346 HydrophobicContact CD1-CG1 3.65Å; A304-I346 HydrophobicContact CB-CD1 3.8Å; L305-I346 HydrophobicContact CD2-CD1 4.09Å; L305-I346 HydrophobicContact CD2-CG1 4.38Å; L305-I346 HydrophobicContact CD2-CG2 3.74Å; L305-I346 HydrophobicContact CG-CD1 4.13Å; L314-I346 HydrophobicContact CD1-CG2 4.19Å; L337-I346 HydrophobicContact CD2-CB 4.13Å; L337-I346 HydrophobicContact CD2-CG2 3.67Å; M342-I346 HydrophobicContact CE-CD1 4.02Å; M342-I346 HydrophobicContact CE-CG1 3.89Å; M342-I346 HydrophobicContact CG-CD1 4.35Å; M342-I346 WeakPolarHBondContact O-CD1 3.28Å; M342-I346 WeakPolarHBondContact O-CG1 3.48Å; M342-I346 PolarHBondContact O-N 3.47Å; M342-I346 VanDerWaalsContact O-N 3.08Å; E343-I346 PolarHBondContact O-N 2.98Å; I346-S348 PolarHBondContact O-N 3.33Å; I346-A349 PolarHBondContact O-N 3.04Å; I346-I350 HydrophobicContact CG2-CD1 3.66Å; I346-I350 HydrophobicContact CG2-CG1 4.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.44Å; I346-I350 PolarHBondContact O-N 2.92Å |
| 347 | L | 92.5 | Very high | 89.6 | Confident | 13 Ų | 13 | 27.4 Ų | 27.4 | 7% | 0.068 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.6 | -47 | 176.4 | 169.1 | 150.8 | 0 | 0 | 0 | 111.3 | L328 P335 L337 E343 D344 I350 A351 Y423 | L328-L347 HydrophobicContact CD2-CG 4.49Å; P335-L347 HydrophobicContact CB-CD1 3.73Å; P335-L347 HydrophobicContact CG-CD1 3.86Å; L337-L347 HydrophobicContact CD2-CB 4.25Å; L337-L347 WeakPolarHBondContact O-CD1 3.18Å; E343-L347 WeakPolarHBondContact O-CB 3.4Å; E343-L347 PolarHBondContact O-N 2.8Å; D344-L347 PolarHBondContact O-N 2.74Å; L347-I350 PolarHBondContact O-N 3.46Å; L347-A351 WeakPolarHBondContact O-CB 3.45Å; L347-A351 PolarHBondContact O-N 3.07Å; L347-Y423 HydrophobicContact CD2-CE1 4.48Å; L347-Y423 HydrophobicContact CD2-CE2 3.87Å; L347-Y423 VanDerWaalsContact CD2-OH 3.26Å; L347-Y423 WeakPolarHBondContact CD2-OH 3.18Å |
| 348 | S | 93.2 | Very high | 90.2 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.4 | -41.7 | 178.3 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | Y289 D344 I346 A351 A352 | Y289-S348 PolarHBondContact OH-OG 2.84Å; D344-S348 WeakPolarHBondContact O-CB 3.27Å; D344-S348 PolarHBondContact O-N 2.77Å; D344-S348 PolarHBondContact O-OG 3.48Å; I346-S348 PolarHBondContact O-N 3.33Å; S348-A351 PolarHBondContact O-N 3.1Å; S348-A352 WeakPolarHBondContact O-CB 3.48Å; S348-A352 PolarHBondContact O-N 3.16Å |
| 349 | A | 94.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I281 Y284 V285 A345 I346 A352 M353 | I281-A349 HydrophobicContact CB-CB 4.39Å; I281-A349 HydrophobicContact CG1-CB 4.45Å; I281-A349 HydrophobicContact CG2-CB 4Å; Y284-A349 VanDerWaalsContact CD1-CA 3.41Å; Y284-A349 HydrophobicContact CD1-CB 3.52Å; Y284-A349 HydrophobicContact CE1-CB 4.35Å; Y284-A349 HydrophobicContact CG-CB 3.84Å; V285-A349 HydrophobicContact CG2-CB 4.12Å; A345-A349 WeakPolarHBondContact O-CB 3.42Å; A345-A349 PolarHBondContact O-N 2.87Å; I346-A349 PolarHBondContact O-N 3.04Å; A349-A352 PolarHBondContact O-N 2.77Å; A349-M353 WeakPolarHBondContact O-CB 3.41Å; A349-M353 VanDerWaalsContact O-CG 3.23Å; A349-M353 WeakPolarHBondContact O-CG 3.45Å; A349-M353 PolarHBondContact O-N 3.21Å |
| 350 | I | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | 178.9 | -67.2 | 166.8 | 0 | 0 | 0 | 110.3 | K274 A276 I281 L314 L328 I346 L347 N354 | K274-I350 HydrophobicContact CB-CG2 4.33Å; K274-I350 WeakPolarHBondContact O-CG2 3.32Å; A276-I350 HydrophobicContact CB-CB 4.37Å; A276-I350 HydrophobicContact CB-CG1 4.13Å; A276-I350 HydrophobicContact CB-CG2 4.44Å; I281-I350 HydrophobicContact CD1-CD1 4.2Å; I281-I350 HydrophobicContact CD1-CG1 3.73Å; I281-I350 HydrophobicContact CG1-CG1 4.05Å; L314-I350 HydrophobicContact CD1-CD1 4.19Å; L314-I350 HydrophobicContact CD2-CD1 3.65Å; L328-I350 HydrophobicContact CB-CG2 4.13Å; I346-I350 HydrophobicContact CG2-CD1 3.66Å; I346-I350 HydrophobicContact CG2-CG1 4.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.44Å; I346-I350 PolarHBondContact O-N 2.92Å; L347-I350 PolarHBondContact O-N 3.46Å; I350-N354 WeakPolarHBondContact O-CB 3.35Å; I350-N354 PolarHBondContact O-N 3.38Å |
| 351 | A | 92.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.4 | -47.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T268 L347 S348 L422 | T268-A351 VanDerWaalsContact CG2-O 3.22Å; T268-A351 WeakPolarHBondContact CG2-O 3.45Å; L347-A351 WeakPolarHBondContact O-CB 3.45Å; L347-A351 PolarHBondContact O-N 3.07Å; S348-A351 PolarHBondContact O-N 3.1Å; A351-L422 HydrophobicContact CB-CD2 3.94Å |
| 352 | A | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.3 | -40.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y284 S348 A349 K357 P417 L422 | Y284-A352 HydrophobicContact CD2-CB 3.93Å; Y284-A352 HydrophobicContact CE1-CB 4.46Å; Y284-A352 HydrophobicContact CE2-CB 3.26Å; S348-A352 WeakPolarHBondContact O-CB 3.48Å; S348-A352 PolarHBondContact O-N 3.16Å; A349-A352 PolarHBondContact O-N 2.77Å; A352-K357 WeakPolarHBondContact O-CE 3.25Å; A352-K357 PolarHBondContact O-NZ 3.18Å; A352-P417 HydrophobicContact CB-CG 4.22Å; A352-L422 HydrophobicContact CB-CD2 4.23Å |
| 353 | M | 91.2 | Very high | 92.1 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.02 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -90.5 | 0.5 | -172.4 | -58.8 | -58.1 | -62.8 | 0 | 0 | 114.7 | A276 L280 Y284 A349 E355 Y416 | A276-M353 HydrophobicContact CB-CB 4.25Å; L280-M353 HydrophobicContact CB-CB 3.96Å; L280-M353 HydrophobicContact CB-CE 3.96Å; L280-M353 HydrophobicContact CB-CG 4.26Å; L280-M353 HydrophobicContact CD2-CE 3.81Å; L280-M353 HydrophobicContact CG-CE 4.33Å; Y284-M353 HydrophobicContact CD2-CG 3.92Å; Y284-M353 HydrophobicContact CD2-SD 3.68Å; Y284-M353 HydrophobicContact CG-CG 4.15Å; Y284-M353 HydrophobicContact CG-SD 4.37Å; A349-M353 WeakPolarHBondContact O-CB 3.41Å; A349-M353 VanDerWaalsContact O-CG 3.23Å; A349-M353 WeakPolarHBondContact O-CG 3.45Å; A349-M353 PolarHBondContact O-N 3.21Å; M353-E355 PolarHBondContact O-N 2.72Å; M353-Y416 HydrophobicContact CE-CD1 3.73Å; M353-Y416 HydrophobicContact CE-CD2 4.12Å; M353-Y416 HydrophobicContact CE-CE1 3.62Å; M353-Y416 HydrophobicContact CE-CE2 4.02Å; M353-Y416 HydrophobicContact CE-CG 4Å; M353-Y416 HydrophobicContact SD-CD1 3.49Å; M353-Y416 WeakPolarHBondContact SD-CD1 3.44Å; M353-Y416 HydrophobicContact SD-CD2 4.26Å; M353-Y416 HydrophobicContact SD-CE1 4.02Å; M353-Y416 HydrophobicContact SD-CG 3.64Å |
| 354 | N | 91.1 | Very high | 92.2 | Very high | 7 Ų | 7 | 21.5 Ų | 21.5 | 4% | 0.037 | 13% | 0.13 | C | C | . | . | trans | -57.4 | 128.7 | 178.8 | -168.2 | 27.8 | 0 | 0 | 0 | 112.6 | C271 P273 E275 I350 K357 | C271-N354 PolarHBondContact SG-ND2 2.98Å; C271-N354 VanDerWaalsContact SG-ND2 3.36Å; P273-N354 PolarHBondContact O-ND2 3Å; E275-N354 PolarHBondContact N-OD1 3.39Å; E275-N354 WeakPolarHBondContact O-CA 3.33Å; E275-N354 PolarHBondContact O-OD1 3.16Å; E275-N354 VanDerWaalsContact O-OD1 3.11Å; I350-N354 WeakPolarHBondContact O-CB 3.35Å; I350-N354 PolarHBondContact O-N 3.38Å; N354-K357 WeakPolarHBondContact O-CE 3.5Å; N354-K357 WeakPolarHBondContact O-CG 3.49Å; N354-K357 PolarHBondContact O-NZ 2.95Å | ||
| 355 | E | 87.1 | Confident | 92.2 | Very high | 87 Ų | 87 | 22.7 Ų | 22.7 | 41% | 0.407 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -147.2 | 137.4 | 177.9 | -70.8 | -173.2 | 170 | 0 | 0 | 111 | M353 P414 Y416 | M353-E355 PolarHBondContact O-N 2.72Å; E355-P414 WeakPolarHBondContact OE1-CB 3.45Å; E355-Y416 HydrophobicContact CG-CE1 4.43Å; E355-Y416 WeakPolarHBondContact OE1-CE1 3.4Å; E355-Y416 PolarHBondContact OE1-OH 2.79Å |
| 356 | P | 88.6 | Confident | 92.2 | Very high | 81 Ų | 81 | 27.5 Ų | 27.5 | 53% | 0.526 | 16% | 0.155 | S | C | . | . | S | Bend | cis | -77.4 | 135.9 | 0.2 | 31.1 | -34.4 | 0 | 0 | 0 | 112.9 | T358 Q410 | P356-T358 HydrophobicContact CB-CG2 4.31Å; P356-T358 HydrophobicContact CG-CG2 4.31Å; P356-T358 PolarHBondContact O-N 3.32Å; P356-T358 VanDerWaalsContact O-N 3.07Å; P356-Q410 HydrophobicContact CB-CG 4.4Å |
| 357 | K | 91.7 | Very high | 92.1 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.035 | 16% | 0.158 | C | C | . | . | trans | -74.8 | 99.8 | 173.9 | -66.4 | -169.3 | 169.9 | 67.5 | 0 | 110.1 | F267 T268 A352 N354 Q410 L411 Y415 | F267-K357 HydrophobicContact CD1-CB 4.48Å; F267-K357 WeakPolarHBondContact CD1-O 3.38Å; T268-K357 WeakPolarHBondContact OG1-CD 3.45Å; T268-K357 VanDerWaalsContact OG1-CE 3.23Å; T268-K357 WeakPolarHBondContact OG1-CE 3.4Å; A352-K357 WeakPolarHBondContact O-CE 3.25Å; A352-K357 PolarHBondContact O-NZ 3.18Å; N354-K357 WeakPolarHBondContact O-CE 3.5Å; N354-K357 WeakPolarHBondContact O-CG 3.49Å; N354-K357 PolarHBondContact O-NZ 2.95Å; K357-Q410 WeakPolarHBondContact O-CA 3.39Å; K357-L411 HydrophobicContact CB-CD1 3.98Å; K357-L411 HydrophobicContact CB-CG 4.21Å; K357-L411 HydrophobicContact CD-CD1 4Å; K357-L411 PolarHBondContact O-N 3.11Å; K357-L411 VanDerWaalsContact O-N 3.1Å; K357-Y415 WeakPolarHBondContact CE-O 3.5Å; K357-Y415 PolarHBondContact NZ-O 2.76Å | ||
| 358 | T | 92.6 | Very high | 92 | Very high | 41 Ų | 41 | 28 Ų | 28 | 25% | 0.252 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 150 | 174.6 | 77.3 | 0 | 0 | 0 | 0 | 110.9 | C271 P356 F409 Q410 | C271-T358 WeakPolarHBondContact CA-O 3.5Å; C271-T358 WeakPolarHBondContact CB-O 3.38Å; C271-T358 PolarHBondContact SG-N 3.13Å; C271-T358 VanDerWaalsContact SG-N 3.4Å; C271-T358 PolarHBondContact SG-O 2.69Å; C271-T358 VanDerWaalsContact SG-O 3.36Å; P356-T358 HydrophobicContact CB-CG2 4.31Å; P356-T358 HydrophobicContact CG-CG2 4.31Å; P356-T358 PolarHBondContact O-N 3.32Å; P356-T358 VanDerWaalsContact O-N 3.07Å; T358-F409 CarbonylContact C-O 3.53Å; T358-F409 VanDerWaalsContact CA-O 3.32Å; T358-F409 WeakPolarHBondContact CA-O 3.29Å; T358-Q410 HydrophobicContact CG2-CB 4.11Å; T358-Q410 HydrophobicContact CG2-CG 4.06Å |
| 359 | C | 93.1 | Very high | 91.8 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 144.8 | 176.8 | -170 | 0 | 0 | 0 | 0 | 111.8 | F267 L270 L364 T408 F409 | F267-C359 HydrophobicContact CD1-CB 3.77Å; F267-C359 HydrophobicContact CD2-CB 4.13Å; F267-C359 HydrophobicContact CE1-CB 3.72Å; F267-C359 HydrophobicContact CE2-CB 4.08Å; F267-C359 HydrophobicContact CG-CB 3.99Å; F267-C359 HydrophobicContact CZ-CB 3.87Å; L270-C359 VanDerWaalsContact CB-SG 3.59Å; C359-L364 HydrophobicContact CB-CD2 4.32Å; C359-L364 HydrophobicContact CB-CG 4.32Å; C359-T408 WeakPolarHBondContact O-CA 3.49Å; C359-F409 PolarHBondContact N-O 3.29Å; C359-F409 PolarHBondContact O-N 3.49Å |
| 360 | S | 93.8 | Very high | 91.6 | Very high | 42 Ų | 42 | 36.4 Ų | 36.4 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 146.7 | 173.6 | 77.8 | 0 | 0 | 0 | 0 | 111.8 | T362 A363 L364 | S360-T362 PolarHBondContact O-N 3.3Å; S360-A363 PolarHBondContact O-N 3.46Å; S360-A363 WeakPolarHBondContact OG-CB 3.25Å; S360-A363 PolarHBondContact OG-N 2.91Å; S360-L364 WeakPolarHBondContact O-CG 3.36Å; S360-L364 PolarHBondContact O-N 3.19Å |
| 361 | T | 92.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.3 | -25 | 172.2 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | K365 L388 G407 F409 | T361-K365 WeakPolarHBondContact O-CD 3.38Å; T361-K365 WeakPolarHBondContact O-CE 3.45Å; T361-K365 WeakPolarHBondContact O-CG 3.37Å; T361-K365 PolarHBondContact O-N 3.3Å; T361-K365 VanDerWaalsContact O-N 3.13Å; T361-L388 HydrophobicContact CG2-CD1 4.07Å; T361-G407 PolarHBondContact N-O 2.75Å; T361-G407 PolarHBondContact OG1-N 3.27Å; T361-G407 PolarHBondContact OG1-O 3.24Å; T361-F409 HydrophobicContact CG2-CD2 3.61Å; T361-F409 HydrophobicContact CG2-CE2 3.45Å; T361-F409 VanDerWaalsContact CG2-CE2 3.45Å |
| 362 | T | 92.9 | Very high | 90.8 | Very high | 100 Ų | 100 | 43.4 Ų | 43.4 | 61% | 0.613 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -72.8 | -45.9 | 175.7 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | S360 L364 K365 K366 | S360-T362 PolarHBondContact O-N 3.3Å; T362-L364 PolarHBondContact O-N 2.9Å; T362-K365 PolarHBondContact O-N 2.89Å; T362-K366 PolarHBondContact O-N 2.88Å |
| 363 | A | 93.3 | Very high | 90 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 22% | 0.223 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L270 S360 K365 K366 Y367 | L270-A363 HydrophobicContact CD1-CB 4.22Å; L270-A363 HydrophobicContact CD2-CB 4.42Å; S360-A363 PolarHBondContact O-N 3.46Å; S360-A363 WeakPolarHBondContact OG-CB 3.25Å; S360-A363 PolarHBondContact OG-N 2.91Å; A363-K365 VanDerWaalsContact C-N 3.34Å; A363-K365 PolarHBondContact O-N 3.38Å; A363-K366 PolarHBondContact O-N 3.38Å; A363-Y367 WeakPolarHBondContact O-CB 3.49Å; A363-Y367 PolarHBondContact O-N 3.25Å |
| 364 | L | 92.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.5 | -66.1 | 168.8 | 0 | 0 | 0 | 112.4 | L263 A266 F267 L270 C359 S360 T362 I368 L384 L388 | L263-L364 HydrophobicContact CD2-CD1 4.45Å; L263-L364 HydrophobicContact CD2-CD2 4.12Å; A266-L364 HydrophobicContact CB-CD2 4.15Å; F267-L364 HydrophobicContact CD2-CD1 4.48Å; F267-L364 HydrophobicContact CD2-CD2 3.7Å; F267-L364 HydrophobicContact CE2-CD1 3.56Å; F267-L364 HydrophobicContact CE2-CD2 3.6Å; F267-L364 HydrophobicContact CE2-CG 4.16Å; F267-L364 HydrophobicContact CZ-CD1 4.01Å; L270-L364 HydrophobicContact CD1-CD2 3.98Å; C359-L364 HydrophobicContact CB-CD2 4.32Å; C359-L364 HydrophobicContact CB-CG 4.32Å; S360-L364 WeakPolarHBondContact O-CG 3.36Å; S360-L364 PolarHBondContact O-N 3.19Å; T362-L364 PolarHBondContact O-N 2.9Å; L364-I368 WeakPolarHBondContact O-CB 3.23Å; L364-I368 WeakPolarHBondContact O-CD1 3.42Å; L364-I368 WeakPolarHBondContact O-CG1 3.39Å; L364-I368 PolarHBondContact O-N 3.23Å; L364-L384 HydrophobicContact CB-CD2 4.17Å; L364-L388 HydrophobicContact CD1-CD1 4.27Å; L364-L388 HydrophobicContact CD1-CD2 4.34Å |
| 365 | K | 92.2 | Very high | 88.4 | Confident | 50 Ų | 50 | 56.3 Ų | 56.3 | 22% | 0.217 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -46.6 | 175.2 | -72.5 | 158.1 | -166.4 | 164.2 | 0 | 111.3 | T361 T362 A363 L369 L384 F405 | T361-K365 WeakPolarHBondContact O-CD 3.38Å; T361-K365 WeakPolarHBondContact O-CE 3.45Å; T361-K365 WeakPolarHBondContact O-CG 3.37Å; T361-K365 PolarHBondContact O-N 3.3Å; T361-K365 VanDerWaalsContact O-N 3.13Å; T362-K365 PolarHBondContact O-N 2.89Å; A363-K365 VanDerWaalsContact C-N 3.34Å; A363-K365 PolarHBondContact O-N 3.38Å; K365-L369 WeakPolarHBondContact O-CB 3.35Å; K365-L369 WeakPolarHBondContact O-CD1 3.33Å; K365-L369 VanDerWaalsContact O-CG 3.25Å; K365-L369 WeakPolarHBondContact O-CG 3.23Å; K365-L369 PolarHBondContact O-N 3.03Å; K365-L384 HydrophobicContact CG-CD2 3.89Å; K365-F405 HydrophobicContact CD-CZ 4.48Å; K365-F405 HydrophobicContact CG-CZ 4.47Å |
| 366 | K | 92.7 | Very high | 88.1 | Confident | 102 Ų | 102 | 57.1 Ų | 57.1 | 44% | 0.443 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.5 | -59.9 | 175.5 | -179 | -174.3 | 171.8 | -169.7 | 0 | 109.9 | E333 T362 A363 I368 L369 E370 | E333-K366 IonicContact OE1-NZ 2.7Å; E333-K366 PolarHBondContact OE1-NZ 2.98Å; T362-K366 PolarHBondContact O-N 2.88Å; A363-K366 PolarHBondContact O-N 3.38Å; K366-I368 PolarHBondContact O-N 2.94Å; K366-L369 PolarHBondContact O-N 3.27Å; K366-E370 VanDerWaalsContact CE-CD 3.42Å; K366-E370 WeakPolarHBondContact CE-OE1 3.35Å; K366-E370 VanDerWaalsContact CE-OE2 3.25Å; K366-E370 WeakPolarHBondContact CE-OE2 3.31Å; K366-E370 VanDerWaalsContact CG-CD 3.44Å; K366-E370 WeakPolarHBondContact CG-OE1 3.48Å; K366-E370 WeakPolarHBondContact CG-OE2 3.11Å; K366-E370 WeakPolarHBondContact O-CG 3.49Å; K366-E370 PolarHBondContact O-N 3.29Å; K366-E370 VanDerWaalsContact O-N 3.09Å |
| 367 | Y | 91.1 | Very high | 88.1 | Confident | 19 Ų | 19 | 56.3 Ų | 56.3 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -55.1 | -45 | -177.3 | -177 | -83.5 | 0 | 0 | 0 | 113.7 | I262 A266 R269 L270 A363 E370 N371 | I262-Y367 HydrophobicContact CG2-CE1 4.48Å; A266-Y367 HydrophobicContact CB-CD1 3.64Å; A266-Y367 HydrophobicContact CB-CE1 3.58Å; A266-Y367 HydrophobicContact CB-CG 4.28Å; R269-Y367 HydrophobicContact CB-CE2 3.93Å; R269-Y367 HydrophobicContact CG-CE2 3.74Å; L270-Y367 HydrophobicContact CD1-CD2 4.16Å; L270-Y367 HydrophobicContact CD1-CG 3.98Å; L270-Y367 HydrophobicContact CD2-CD2 4Å; L270-Y367 HydrophobicContact CD2-CG 4.48Å; L270-Y367 HydrophobicContact CG-CD2 4.05Å; L270-Y367 HydrophobicContact CG-CG 4.39Å; A363-Y367 WeakPolarHBondContact O-CB 3.49Å; A363-Y367 PolarHBondContact O-N 3.25Å; Y367-E370 PolarHBondContact O-N 2.82Å; Y367-N371 HydrophobicContact CD1-CB 4.24Å; Y367-N371 WeakPolarHBondContact CD2-ND2 3.16Å; Y367-N371 HydrophobicContact CE1-CB 3.92Å; Y367-N371 VanDerWaalsContact O-CB 3.31Å; Y367-N371 WeakPolarHBondContact O-CB 3.4Å; Y367-N371 PolarHBondContact O-N 3.05Å; Y367-N371 PolarHBondContact O-ND2 2.82Å |
| 368 | I | 90.1 | Very high | 87.9 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.015 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.6 | -33.5 | -176.6 | -72.7 | 161.9 | 0 | 0 | 0 | 112 | L259 L364 K366 E370 H372 L384 | L259-I368 HydrophobicContact CD1-CD1 3.77Å; L259-I368 HydrophobicContact CD1-CG1 4Å; L259-I368 HydrophobicContact CD1-CG2 3.95Å; L259-I368 HydrophobicContact CG-CD1 4.4Å; L364-I368 WeakPolarHBondContact O-CB 3.23Å; L364-I368 WeakPolarHBondContact O-CD1 3.42Å; L364-I368 WeakPolarHBondContact O-CG1 3.39Å; L364-I368 PolarHBondContact O-N 3.23Å; K366-I368 PolarHBondContact O-N 2.94Å; I368-E370 VanDerWaalsContact C-N 3.33Å; I368-H372 CarbonylContact O-C 3.55Å; I368-H372 PolarHBondContact O-N 3Å; I368-L384 HydrophobicContact CD1-CD1 3.54Å; I368-L384 HydrophobicContact CD1-CD2 3.76Å; I368-L384 HydrophobicContact CD1-CG 4.13Å |
| 369 | L | 89.4 | Confident | 87.6 | Confident | 65 Ų | 65 | 66.7 Ų | 66.7 | 34% | 0.34 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -71.5 | -29.7 | 174.7 | -68.9 | 170.3 | 0 | 0 | 0 | 112.3 | K365 K366 V381 | K365-L369 WeakPolarHBondContact O-CB 3.35Å; K365-L369 WeakPolarHBondContact O-CD1 3.33Å; K365-L369 VanDerWaalsContact O-CG 3.25Å; K365-L369 WeakPolarHBondContact O-CG 3.23Å; K365-L369 PolarHBondContact O-N 3.03Å; K366-L369 PolarHBondContact O-N 3.27Å; L369-V381 HydrophobicContact CD1-CG2 4.44Å |
| 370 | E | 88.7 | Confident | 87.4 | Confident | 117 Ų | 117 | 67.6 Ų | 67.6 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -86.1 | -47.6 | -179 | -70.5 | 167.9 | 171.3 | 0 | 0 | 113.2 | K366 Y367 I368 | K366-E370 VanDerWaalsContact CE-CD 3.42Å; K366-E370 WeakPolarHBondContact CE-OE1 3.35Å; K366-E370 VanDerWaalsContact CE-OE2 3.25Å; K366-E370 WeakPolarHBondContact CE-OE2 3.31Å; K366-E370 VanDerWaalsContact CG-CD 3.44Å; K366-E370 WeakPolarHBondContact CG-OE1 3.48Å; K366-E370 WeakPolarHBondContact CG-OE2 3.11Å; K366-E370 WeakPolarHBondContact O-CG 3.49Å; K366-E370 PolarHBondContact O-N 3.29Å; K366-E370 VanDerWaalsContact O-N 3.09Å; Y367-E370 PolarHBondContact O-N 2.82Å; I368-E370 VanDerWaalsContact C-N 3.33Å |
| 371 | N | 85.9 | Confident | 87.2 | Confident | 76 Ų | 76 | 67.7 Ų | 67.7 | 41% | 0.406 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -89.3 | -19.3 | -170.8 | -67.3 | -111.7 | 0 | 0 | 0 | 112.7 | Y367 | Y367-N371 HydrophobicContact CD1-CB 4.24Å; Y367-N371 WeakPolarHBondContact CD2-ND2 3.16Å; Y367-N371 HydrophobicContact CE1-CB 3.92Å; Y367-N371 VanDerWaalsContact O-CB 3.31Å; Y367-N371 WeakPolarHBondContact O-CB 3.4Å; Y367-N371 PolarHBondContact O-N 3.05Å; Y367-N371 PolarHBondContact O-ND2 2.82Å |
| 372 | H | 82.5 | Confident | 87.1 | Confident | 73 Ų | 73 | 71.9 Ų | 71.9 | 34% | 0.338 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -139.9 | 61.9 | 179.8 | -58.3 | -60.3 | 0 | 0 | 0 | 110.6 | I262 I368 G374 Q380 | I262-H372 WeakPolarHBondContact CG2-NE2 3.4Å; I368-H372 CarbonylContact O-C 3.55Å; I368-H372 PolarHBondContact O-N 3Å; H372-G374 PolarHBondContact O-N 2.81Å; H372-Q380 PolarHBondContact O-NE2 3.34Å |
| 373 | P | 78.3 | Confident | 87 | Confident | 103 Ų | 103 | 70.1 Ų | 70.1 | 67% | 0.669 | 38% | 0.379 | S | S | * | . | trans | -59.9 | 113.3 | -176.9 | 25.7 | -35 | 0 | 0 | 0 | 111.2 | ||||
| 374 | G | 72.7 | Confident | 86.9 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 35% | 0.351 | 37% | 0.369 | S | S | . | . | trans | -97 | 161.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | H372 N376 Q380 | H372-G374 PolarHBondContact O-N 2.81Å; G374-N376 PolarHBondContact O-N 3.06Å; G374-Q380 VanDerWaalsContact CA-CD 3.46Å | ||
| 375 | T | 74.2 | Confident | 86.9 | Confident | 145 Ų | 145 | 72.8 Ų | 72.8 | 89% | 0.89 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -52.1 | -21.8 | -175.8 | -32.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 376 | N | 82.1 | Confident | 87 | Confident | 105 Ų | 105 | 78 Ų | 78 | 56% | 0.561 | 40% | 0.404 | S | S | * | . | trans | -147.5 | 113.5 | 174.7 | -81.4 | -87 | 0 | 0 | 0 | 110.9 | G374 N378 F379 Q380 | G374-N376 PolarHBondContact O-N 3.06Å; N376-N378 VanDerWaalsContact C-N 3.34Å; N376-N378 PolarHBondContact O-N 3.47Å; N376-F379 HydrophobicContact CB-CB 3.83Å; N376-F379 WeakPolarHBondContact O-CB 3.41Å; N376-F379 PolarHBondContact O-N 3.43Å; N376-Q380 PolarHBondContact O-N 3.17Å; N376-Q380 VanDerWaalsContact O-N 3.12Å | ||
| 377 | S | 87.6 | Confident | 86.9 | Confident | 63 Ų | 63 | 73.5 Ų | 73.5 | 44% | 0.441 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -53.6 | -45.3 | 178.6 | 55.9 | 0 | 0 | 0 | 0 | 113.4 | F379 Q380 V381 | S377-F379 VanDerWaalsContact C-N 3.3Å; S377-F379 PolarHBondContact O-N 3.09Å; S377-Q380 WeakPolarHBondContact O-CB 3.44Å; S377-Q380 PolarHBondContact O-N 3.22Å; S377-Q380 VanDerWaalsContact O-N 3.12Å; S377-V381 WeakPolarHBondContact O-CG2 3.26Å; S377-V381 PolarHBondContact O-N 3.17Å |
| 378 | N | 87.2 | Confident | 87 | Confident | 136 Ų | 136 | 72.7 Ų | 72.7 | 73% | 0.727 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.6 | -38.7 | 175.6 | -78.9 | -69.4 | 0 | 0 | 0 | 112.9 | N376 H382 | N376-N378 VanDerWaalsContact C-N 3.34Å; N376-N378 PolarHBondContact O-N 3.47Å; N378-H382 PolarHBondContact O-N 2.79Å; N378-H382 VanDerWaalsContact O-N 3.11Å |
| 379 | F | 88.1 | Confident | 87.1 | Confident | 131 Ų | 131 | 75.6 Ų | 75.6 | 58% | 0.575 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -67.3 | -38.7 | 176.5 | 179.5 | -98.9 | 0 | 0 | 0 | 111.2 | N376 S377 H382 L383 | N376-F379 HydrophobicContact CB-CB 3.83Å; N376-F379 WeakPolarHBondContact O-CB 3.41Å; N376-F379 PolarHBondContact O-N 3.43Å; S377-F379 VanDerWaalsContact C-N 3.3Å; S377-F379 PolarHBondContact O-N 3.09Å; F379-H382 CarbonylContact O-C 3.52Å; F379-H382 PolarHBondContact O-N 3.09Å; F379-L383 HydrophobicContact CE1-CD2 4.5Å; F379-L383 WeakPolarHBondContact O-CB 3.19Å; F379-L383 PolarHBondContact O-N 3.12Å |
| 380 | Q | 87 | Confident | 87.2 | Confident | 25 Ų | 25 | 76.6 Ų | 76.6 | 12% | 0.117 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 176.7 | -62 | -167.8 | -78.5 | 0 | 0 | 113 | H372 G374 N376 S377 H382 L383 L384 | H372-Q380 PolarHBondContact O-NE2 3.34Å; G374-Q380 VanDerWaalsContact CA-CD 3.46Å; N376-Q380 PolarHBondContact O-N 3.17Å; N376-Q380 VanDerWaalsContact O-N 3.12Å; S377-Q380 WeakPolarHBondContact O-CB 3.44Å; S377-Q380 PolarHBondContact O-N 3.22Å; S377-Q380 VanDerWaalsContact O-N 3.12Å; Q380-H382 VanDerWaalsContact C-N 3.26Å; Q380-H382 PolarHBondContact O-N 3Å; Q380-L383 PolarHBondContact O-N 3.31Å; Q380-L384 WeakPolarHBondContact O-CB 3.4Å; Q380-L384 PolarHBondContact O-N 3Å |
| 381 | V | 89.6 | Confident | 87.3 | Confident | 44 Ų | 44 | 71 Ų | 71 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.8 | -37.5 | 174.8 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | L369 S377 K385 F405 | L369-V381 HydrophobicContact CD1-CG2 4.44Å; S377-V381 WeakPolarHBondContact O-CG2 3.26Å; S377-V381 PolarHBondContact O-N 3.17Å; V381-K385 PolarHBondContact O-N 2.91Å; V381-K385 VanDerWaalsContact O-N 3.09Å; V381-F405 HydrophobicContact CG1-CE1 3.71Å; V381-F405 HydrophobicContact CG1-CZ 4.12Å; V381-F405 WeakPolarHBondContact O-CZ 3.17Å |
| 382 | H | 90.4 | Very high | 87.5 | Confident | 92 Ų | 92 | 70.8 Ų | 70.8 | 43% | 0.426 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -72.1 | -35.2 | 173.5 | -175 | -96.3 | 0 | 0 | 0 | 113.4 | N378 F379 Q380 K385 R386 | N378-H382 PolarHBondContact O-N 2.79Å; N378-H382 VanDerWaalsContact O-N 3.11Å; F379-H382 CarbonylContact O-C 3.52Å; F379-H382 PolarHBondContact O-N 3.09Å; Q380-H382 VanDerWaalsContact C-N 3.26Å; Q380-H382 PolarHBondContact O-N 3Å; H382-K385 WeakPolarHBondContact O-CB 3.29Å; H382-K385 PolarHBondContact O-N 3.39Å; H382-R386 PolarHBondContact O-N 3.12Å; H382-R386 VanDerWaalsContact O-N 3.09Å |
| 383 | L | 91.4 | Very high | 87.9 | Confident | 63 Ų | 63 | 74.8 Ų | 74.8 | 33% | 0.33 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.3 | -48.6 | 173.2 | -177.5 | 61 | 0 | 0 | 0 | 110.5 | L259 F379 Q380 K385 R386 T387 | L259-L383 HydrophobicContact CD2-CB 4.41Å; L259-L383 HydrophobicContact CD2-CD2 4.26Å; L259-L383 HydrophobicContact CD2-CG 3.96Å; F379-L383 HydrophobicContact CE1-CD2 4.5Å; F379-L383 WeakPolarHBondContact O-CB 3.19Å; F379-L383 PolarHBondContact O-N 3.12Å; Q380-L383 PolarHBondContact O-N 3.31Å; L383-K385 VanDerWaalsContact C-N 3.3Å; L383-K385 PolarHBondContact O-N 3.31Å; L383-R386 CarbonylContact O-C 3.54Å; L383-R386 WeakPolarHBondContact O-CB 3.16Å; L383-R386 PolarHBondContact O-N 3.34Å; L383-T387 WeakPolarHBondContact O-CB 3.41Å; L383-T387 PolarHBondContact O-N 3.46Å; L383-T387 PolarHBondContact O-OG1 3.22Å |
| 384 | L | 91.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -54.4 | -44.1 | 173.7 | 177.9 | 56.8 | 0 | 0 | 0 | 112 | L259 L263 L364 K365 I368 Q380 R386 T387 L388 F405 | L259-L384 HydrophobicContact CD2-CB 3.91Å; L259-L384 HydrophobicContact CD2-CD1 4.28Å; L263-L384 HydrophobicContact CD2-CD1 4.04Å; L364-L384 HydrophobicContact CB-CD2 4.17Å; K365-L384 HydrophobicContact CG-CD2 3.89Å; I368-L384 HydrophobicContact CD1-CD1 3.54Å; I368-L384 HydrophobicContact CD1-CD2 3.76Å; I368-L384 HydrophobicContact CD1-CG 4.13Å; Q380-L384 WeakPolarHBondContact O-CB 3.4Å; Q380-L384 PolarHBondContact O-N 3Å; L384-R386 PolarHBondContact O-N 3.36Å; L384-T387 PolarHBondContact O-N 3.05Å; L384-L388 HydrophobicContact CD1-CD1 4.08Å; L384-L388 HydrophobicContact CD1-CD2 4.39Å; L384-L388 HydrophobicContact CD1-CG 3.9Å; L384-L388 HydrophobicContact CG-CD1 4.31Å; L384-L388 WeakPolarHBondContact O-CG 3.34Å; L384-L388 PolarHBondContact O-N 3Å; L384-F405 HydrophobicContact CB-CZ 4.39Å; L384-F405 HydrophobicContact CD2-CE2 4.44Å; L384-F405 HydrophobicContact CD2-CZ 4.27Å; L384-F405 HydrophobicContact CG-CE2 4.05Å; L384-F405 HydrophobicContact CG-CZ 4.17Å |
| 385 | K | 92.8 | Very high | 89.1 | Confident | 82 Ų | 82 | 72 Ų | 72 | 36% | 0.357 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -56.5 | -48.5 | 173.7 | 176.9 | 172.4 | -179.4 | -177.4 | 0 | 112.3 | V381 H382 L383 T387 Q389 F405 | V381-K385 PolarHBondContact O-N 2.91Å; V381-K385 VanDerWaalsContact O-N 3.09Å; H382-K385 WeakPolarHBondContact O-CB 3.29Å; H382-K385 PolarHBondContact O-N 3.39Å; L383-K385 VanDerWaalsContact C-N 3.3Å; L383-K385 PolarHBondContact O-N 3.31Å; K385-T387 VanDerWaalsContact C-N 3.34Å; K385-Q389 WeakPolarHBondContact O-CB 3.21Å; K385-Q389 VanDerWaalsContact O-CG 3.29Å; K385-Q389 WeakPolarHBondContact O-CG 3.27Å; K385-Q389 PolarHBondContact O-N 3.35Å; K385-F405 VanDerWaalsContact CA-CE2 3.41Å; K385-F405 HydrophobicContact CB-CB 4.47Å; K385-F405 HydrophobicContact CB-CD1 3.83Å; K385-F405 HydrophobicContact CB-CD2 3.67Å; K385-F405 HydrophobicContact CB-CE1 3.85Å; K385-F405 HydrophobicContact CB-CE2 3.72Å; K385-F405 HydrophobicContact CB-CG 3.72Å; K385-F405 HydrophobicContact CB-CZ 3.79Å; K385-F405 HydrophobicContact CD-CB 3.88Å; K385-F405 HydrophobicContact CD-CD1 3.83Å; K385-F405 HydrophobicContact CD-CG 3.86Å; K385-F405 HydrophobicContact CG-CB 3.84Å; K385-F405 HydrophobicContact CG-CD1 3.99Å; K385-F405 HydrophobicContact CG-CD2 3.9Å; K385-F405 HydrophobicContact CG-CE2 4.46Å; K385-F405 HydrophobicContact CG-CG 3.63Å |
| 386 | R | 92.8 | Very high | 89.9 | Confident | 160 Ų | 160 | 65.6 Ų | 65.6 | 60% | 0.604 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.7 | -37.6 | 178 | -176.5 | 177.3 | -72.9 | 168.5 | -5 | 111.8 | H382 L383 L384 K390 | H382-R386 PolarHBondContact O-N 3.12Å; H382-R386 VanDerWaalsContact O-N 3.09Å; L383-R386 CarbonylContact O-C 3.54Å; L383-R386 WeakPolarHBondContact O-CB 3.16Å; L383-R386 PolarHBondContact O-N 3.34Å; L384-R386 PolarHBondContact O-N 3.36Å; R386-K390 WeakPolarHBondContact O-CB 3.16Å; R386-K390 PolarHBondContact O-N 3.48Å |
| 387 | T | 91.9 | Very high | 90.3 | Very high | 7 Ų | 7 | 60.8 Ų | 60.8 | 4% | 0.043 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.9 | -51 | 179.5 | -60.8 | 0 | 0 | 0 | 0 | 112 | L259 E260 L263 L383 L384 K385 Q389 K390 C391 | L259-T387 HydrophobicContact CB-CG2 4.39Å; E260-T387 HydrophobicContact CB-CG2 4.44Å; E260-T387 HydrophobicContact CG-CG2 3.66Å; L263-T387 HydrophobicContact CD1-CG2 3.55Å; L383-T387 WeakPolarHBondContact O-CB 3.41Å; L383-T387 PolarHBondContact O-N 3.46Å; L383-T387 PolarHBondContact O-OG1 3.22Å; L384-T387 PolarHBondContact O-N 3.05Å; K385-T387 VanDerWaalsContact C-N 3.34Å; T387-Q389 VanDerWaalsContact C-N 3.33Å; T387-Q389 PolarHBondContact O-N 2.86Å; T387-K390 WeakPolarHBondContact O-CA 3.44Å; T387-K390 VanDerWaalsContact O-CB 3.32Å; T387-K390 WeakPolarHBondContact O-CB 3.42Å; T387-K390 PolarHBondContact O-N 2.94Å; T387-C391 PolarHBondContact O-N 2.87Å; T387-C391 PolarHBondContact O-SG 3.42Å; T387-C391 VanDerWaalsContact O-SG 3.32Å |
| 388 | L | 92.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 177.4 | -68.9 | 178.7 | 0 | 0 | 0 | 111.2 | L263 T361 L364 L384 K390 C391 E392 M397 F405 F409 | L263-L388 HydrophobicContact CD1-CD2 3.9Å; L263-L388 HydrophobicContact CD2-CD2 3.95Å; T361-L388 HydrophobicContact CG2-CD1 4.07Å; L364-L388 HydrophobicContact CD1-CD1 4.27Å; L364-L388 HydrophobicContact CD1-CD2 4.34Å; L384-L388 HydrophobicContact CD1-CD1 4.08Å; L384-L388 HydrophobicContact CD1-CD2 4.39Å; L384-L388 HydrophobicContact CD1-CG 3.9Å; L384-L388 HydrophobicContact CG-CD1 4.31Å; L384-L388 WeakPolarHBondContact O-CG 3.34Å; L384-L388 PolarHBondContact O-N 3Å; L388-K390 PolarHBondContact O-N 3.01Å; L388-C391 PolarHBondContact O-N 2.94Å; L388-E392 VanDerWaalsContact O-CB 3.27Å; L388-E392 WeakPolarHBondContact O-CB 3.33Å; L388-E392 PolarHBondContact O-N 3.05Å; L388-M397 HydrophobicContact CD2-CE 3.49Å; L388-M397 VanDerWaalsContact CD2-CE 3.49Å; L388-M397 HydrophobicContact CD2-SD 4.04Å; L388-F405 HydrophobicContact CD1-CD2 4.39Å; L388-F405 HydrophobicContact CD1-CE2 4.07Å; L388-F409 HydrophobicContact CB-CE1 4.28Å; L388-F409 HydrophobicContact CB-CZ 4.42Å; L388-F409 HydrophobicContact CD1-CD2 4.28Å; L388-F409 HydrophobicContact CD1-CE2 4.2Å; L388-F409 HydrophobicContact CD1-CZ 4.46Å |
| 389 | Q | 92.1 | Very high | 90.8 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 30% | 0.304 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.9 | -24.4 | 175.1 | -71.8 | -176.8 | -20.7 | 0 | 0 | 113.8 | K385 T387 K393 | K385-Q389 WeakPolarHBondContact O-CB 3.21Å; K385-Q389 VanDerWaalsContact O-CG 3.29Å; K385-Q389 WeakPolarHBondContact O-CG 3.27Å; K385-Q389 PolarHBondContact O-N 3.35Å; T387-Q389 VanDerWaalsContact C-N 3.33Å; T387-Q389 PolarHBondContact O-N 2.86Å; Q389-K393 WeakPolarHBondContact O-CB 3.32Å; Q389-K393 WeakPolarHBondContact O-CD 3.49Å; Q389-K393 WeakPolarHBondContact O-CG 3.4Å; Q389-K393 PolarHBondContact O-N 2.81Å |
| 390 | K | 91.6 | Very high | 91.1 | Very high | 85 Ų | 85 | 56.3 Ų | 56.3 | 37% | 0.37 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -77.3 | -44.3 | 173.8 | -169.5 | -161 | -174.6 | -167.5 | 0 | 110.9 | E260 R386 T387 L388 K393 N394 | E260-K390 WeakPolarHBondContact OE1-CD 3.49Å; E260-K390 IonicContact OE1-NZ 2.58Å; E260-K390 PolarHBondContact OE1-NZ 2.99Å; E260-K390 IonicContact OE2-NZ 3.25Å; E260-K390 PolarHBondContact OE2-NZ 3.25Å; R386-K390 WeakPolarHBondContact O-CB 3.16Å; R386-K390 PolarHBondContact O-N 3.48Å; T387-K390 WeakPolarHBondContact O-CA 3.44Å; T387-K390 VanDerWaalsContact O-CB 3.32Å; T387-K390 WeakPolarHBondContact O-CB 3.42Å; T387-K390 PolarHBondContact O-N 2.94Å; L388-K390 PolarHBondContact O-N 3.01Å; K390-K393 PolarHBondContact O-N 3.31Å; K390-N394 WeakPolarHBondContact O-CB 3.5Å; K390-N394 PolarHBondContact O-N 3.28Å; K390-N394 VanDerWaalsContact O-N 3.1Å; K390-N394 PolarHBondContact O-ND2 3.04Å |
| 391 | C | 90.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 177.6 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | T387 L388 N394 G395 W396 M397 | T387-C391 PolarHBondContact O-N 2.87Å; T387-C391 PolarHBondContact O-SG 3.42Å; T387-C391 VanDerWaalsContact O-SG 3.32Å; L388-C391 PolarHBondContact O-N 2.94Å; C391-N394 CarbonylContact O-C 3.59Å; C391-N394 PolarHBondContact O-N 3.48Å; C391-N394 VanDerWaalsContact O-N 3.16Å; C391-G395 PolarHBondContact O-N 2.82Å; C391-G395 VanDerWaalsContact O-N 3.08Å; C391-W396 HydrophobicContact CB-CB 4.19Å; C391-W396 HydrophobicContact CB-CE3 4.29Å; C391-W396 PolarHBondContact O-N 3.32Å; C391-M397 HydrophobicContact CB-CB 4.04Å; C391-M397 HydrophobicContact CB-CG 3.74Å; C391-M397 HydrophobicContact CB-SD 3.44Å; C391-M397 WeakPolarHBondContact CB-SD 3.34Å |
| 392 | E | 90.6 | Very high | 91.2 | Very high | 71 Ų | 71 | 58.4 Ų | 58.4 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -53.1 | -56.6 | 171.4 | -176.1 | -166.1 | 171.8 | 0 | 0 | 111.2 | L388 N394 G395 M397 | L388-E392 VanDerWaalsContact O-CB 3.27Å; L388-E392 WeakPolarHBondContact O-CB 3.33Å; L388-E392 PolarHBondContact O-N 3.05Å; E392-N394 PolarHBondContact O-N 3.11Å; E392-N394 VanDerWaalsContact O-N 3.07Å; E392-G395 PolarHBondContact O-N 3.36Å; E392-M397 WeakPolarHBondContact CA-O 3.25Å |
| 393 | K | 90.5 | Very high | 91 | Very high | 157 Ų | 157 | 63 Ų | 63 | 68% | 0.683 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -7.9 | 178.7 | -70.9 | 174.1 | -175 | 178.9 | 0 | 115.2 | Q389 K390 | Q389-K393 WeakPolarHBondContact O-CB 3.32Å; Q389-K393 WeakPolarHBondContact O-CD 3.49Å; Q389-K393 WeakPolarHBondContact O-CG 3.4Å; Q389-K393 PolarHBondContact O-N 2.81Å; K390-K393 PolarHBondContact O-N 3.31Å |
| 394 | N | 88.2 | Confident | 90.6 | Very high | 38 Ų | 38 | 61.3 Ų | 61.3 | 20% | 0.203 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -2.1 | 173.5 | -69.3 | -19.4 | 0 | 0 | 0 | 112.6 | K131 K390 C391 E392 W396 | K131-N394 PolarHBondContact NZ-OD1 3.4Å; K390-N394 WeakPolarHBondContact O-CB 3.5Å; K390-N394 PolarHBondContact O-N 3.28Å; K390-N394 VanDerWaalsContact O-N 3.1Å; K390-N394 PolarHBondContact O-ND2 3.04Å; C391-N394 CarbonylContact O-C 3.59Å; C391-N394 PolarHBondContact O-N 3.48Å; C391-N394 VanDerWaalsContact O-N 3.16Å; E392-N394 PolarHBondContact O-N 3.11Å; E392-N394 VanDerWaalsContact O-N 3.07Å; N394-W396 VanDerWaalsContact C-N 3.28Å; N394-W396 HydrophobicContact CB-CD2 3.66Å; N394-W396 VanDerWaalsContact CB-CE2 3.47Å; N394-W396 HydrophobicContact CB-CE3 4.2Å; N394-W396 HydrophobicContact CB-CG 3.98Å; N394-W396 HydrophobicContact CB-CH2 4.37Å; N394-W396 HydrophobicContact CB-CZ2 3.84Å; N394-W396 WeakPolarHBondContact ND2-CH2 3.29Å; N394-W396 VanDerWaalsContact ND2-CZ2 3.27Å; N394-W396 WeakPolarHBondContact ND2-CZ2 3.44Å; N394-W396 WeakPolarHBondContact ND2-CZ3 3.34Å; N394-W396 PolarHBondContact O-N 3.1Å |
| 395 | G | 88.9 | Confident | 90.2 | Very high | 41 Ų | 41 | 63.2 Ų | 63.2 | 42% | 0.423 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 15.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | C391 E392 C412 F413 | C391-G395 PolarHBondContact O-N 2.82Å; C391-G395 VanDerWaalsContact O-N 3.08Å; E392-G395 PolarHBondContact O-N 3.36Å; G395-C412 VanDerWaalsContact O-CB 3.31Å; G395-C412 WeakPolarHBondContact O-CB 3.35Å; G395-C412 PolarHBondContact O-SG 2.95Å; G395-F413 WeakPolarHBondContact O-CE2 3.47Å |
| 396 | W | 89.8 | Confident | 90 | Very high | 11 Ų | 11 | 61.6 Ų | 61.6 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -80.1 | -24.5 | 178.8 | -55.5 | -21 | 0 | 0 | 0 | 112.4 | I133 P134 W136 A137 C391 N394 C412 | I133-W396 HydrophobicContact CB-CZ2 4.39Å; I133-W396 HydrophobicContact CG1-CZ2 4.37Å; I133-W396 HydrophobicContact CG2-CZ2 4.38Å; P134-W396 VanDerWaalsContact CD-CZ2 3.44Å; P134-W396 HydrophobicContact CG-CD2 4.43Å; P134-W396 HydrophobicContact CG-CE3 4.08Å; P134-W396 HydrophobicContact CG-CH2 4.19Å; P134-W396 HydrophobicContact CG-CZ3 3.95Å; W136-W396 HydrophobicContact CH2-CB 4Å; W136-W396 HydrophobicContact CZ3-CB 4.31Å; A137-W396 HydrophobicContact CB-CB 3.87Å; A137-W396 HydrophobicContact CB-CD2 3.88Å; A137-W396 HydrophobicContact CB-CG 3.52Å; C391-W396 HydrophobicContact CB-CB 4.19Å; C391-W396 HydrophobicContact CB-CE3 4.29Å; C391-W396 PolarHBondContact O-N 3.32Å; N394-W396 VanDerWaalsContact C-N 3.28Å; N394-W396 HydrophobicContact CB-CD2 3.66Å; N394-W396 VanDerWaalsContact CB-CE2 3.47Å; N394-W396 HydrophobicContact CB-CE3 4.2Å; N394-W396 HydrophobicContact CB-CG 3.98Å; N394-W396 HydrophobicContact CB-CH2 4.37Å; N394-W396 HydrophobicContact CB-CZ2 3.84Å; N394-W396 WeakPolarHBondContact ND2-CH2 3.29Å; N394-W396 VanDerWaalsContact ND2-CZ2 3.27Å; N394-W396 WeakPolarHBondContact ND2-CZ2 3.44Å; N394-W396 WeakPolarHBondContact ND2-CZ3 3.34Å; N394-W396 PolarHBondContact O-N 3.1Å; W396-C412 PolarHBondContact O-N 2.93Å |
| 397 | M | 91.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 153.5 | -179 | -60.2 | 174.3 | 67.8 | 0 | 0 | 109.5 | W136 L263 F267 L388 C391 E392 F409 Q410 L411 C412 | W136-M397 HydrophobicContact CH2-CG 4.22Å; W136-M397 HydrophobicContact CH2-SD 4.4Å; L263-M397 HydrophobicContact CD1-SD 4.01Å; F267-M397 HydrophobicContact CD2-CE 4.37Å; F267-M397 HydrophobicContact CE1-CE 4.1Å; F267-M397 HydrophobicContact CE2-CE 3.37Å; F267-M397 HydrophobicContact CZ-CE 3.2Å; L388-M397 HydrophobicContact CD2-CE 3.49Å; L388-M397 VanDerWaalsContact CD2-CE 3.49Å; L388-M397 HydrophobicContact CD2-SD 4.04Å; C391-M397 HydrophobicContact CB-CB 4.04Å; C391-M397 HydrophobicContact CB-CG 3.74Å; C391-M397 HydrophobicContact CB-SD 3.44Å; C391-M397 WeakPolarHBondContact CB-SD 3.34Å; E392-M397 WeakPolarHBondContact CA-O 3.25Å; M397-F409 HydrophobicContact CE-CB 4.19Å; M397-Q410 CarbonylContact C-O 3.43Å; M397-Q410 WeakPolarHBondContact CA-O 3.38Å; M397-Q410 WeakPolarHBondContact CB-O 3.35Å; M397-L411 HydrophobicContact CE-CD2 4.2Å; M397-L411 HydrophobicContact CG-CD2 4.05Å; M397-L411 HydrophobicContact SD-CD2 4.39Å; M397-C412 VanDerWaalsContact CA-SG 3.53Å |
| 398 | E | 92 | Very high | 90 | Very high | 110 Ų | 110 | 57.1 Ų | 57.1 | 51% | 0.514 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 143.5 | 178.3 | -173.1 | 168.3 | -154.5 | 0 | 0 | 110.6 | I400 F409 Q410 | E398-I400 HydrophobicContact CB-CD1 4.24Å; E398-I400 HydrophobicContact CG-CD1 3.97Å; E398-F409 CarbonylContact O-C 3.47Å; E398-F409 WeakPolarHBondContact O-CA 3.4Å; E398-Q410 PolarHBondContact N-O 3.25Å; E398-Q410 PolarHBondContact O-N 3.09Å |
| 399 | Q | 93.8 | Very high | 90.1 | Very high | 42 Ų | 42 | 57.1 Ų | 57.1 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 101.9 | 170.7 | 176.2 | 158.9 | 52.7 | 0 | 0 | 109.1 | S401 G404 S406 F409 | Q399-S401 WeakPolarHBondContact CG-O 2.81Å; Q399-S401 PolarHBondContact NE2-O 3.44Å; Q399-G404 PolarHBondContact NE2-O 3.08Å; Q399-S406 PolarHBondContact NE2-O 3.5Å; Q399-F409 HydrophobicContact CB-CD1 4.16Å; Q399-F409 HydrophobicContact CB-CE1 3.79Å; Q399-F409 HydrophobicContact CB-CZ 4.01Å; Q399-F409 HydrophobicContact CG-CE1 4.41Å; Q399-F409 HydrophobicContact CG-CE2 4.38Å; Q399-F409 HydrophobicContact CG-CZ 4.14Å |
| 400 | I | 93.1 | Very high | 90.1 | Very high | 84 Ų | 84 | 56.4 Ų | 56.4 | 43% | 0.431 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | -30.7 | -178.8 | -54.9 | -59.7 | 0 | 0 | 0 | 111.5 | E398 T408 Q410 | E398-I400 HydrophobicContact CB-CD1 4.24Å; E398-I400 HydrophobicContact CG-CD1 3.97Å; I400-T408 PolarHBondContact N-O 3.44Å; I400-Q410 HydrophobicContact CD1-CB 3.91Å; I400-Q410 HydrophobicContact CG1-CB 3.56Å |
| 401 | S | 92.8 | Very high | 90.2 | Very high | 69 Ų | 69 | 53 Ų | 53 | 48% | 0.483 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 161.7 | 178.1 | -169.6 | 0 | 0 | 0 | 0 | 112.6 | Q399 G407 T408 | Q399-S401 WeakPolarHBondContact CG-O 2.81Å; Q399-S401 PolarHBondContact NE2-O 3.44Å; S401-G407 CarbonylContact O-C 3.58Å; S401-G407 WeakPolarHBondContact O-CA 3.45Å; S401-T408 VanDerWaalsContact CB-OG1 3.29Å; S401-T408 WeakPolarHBondContact CB-OG1 3.48Å; S401-T408 PolarHBondContact N-O 3.24Å; S401-T408 PolarHBondContact N-OG1 3.13Å; S401-T408 PolarHBondContact O-N 2.94Å |
| 402 | G | 86.9 | Confident | 90.2 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 44% | 0.443 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 83.7 | -174.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 403 | K | 85.7 | Confident | 90.1 | Very high | 188 Ų | 188 | 54.2 Ų | 54.2 | 82% | 0.817 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -133.8 | 125.1 | 176 | -166 | 65.7 | 173.7 | -179.9 | 0 | 110.5 | F405 S406 | K403-F405 PolarHBondContact O-N 2.93Å; K403-S406 PolarHBondContact N-OG 2.98Å; K403-S406 PolarHBondContact O-OG 2.88Å |
| 404 | G | 82.6 | Confident | 90.1 | Very high | 28 Ų | 28 | 49.6 Ų | 49.6 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 64 | -127.4 | -179 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q399 S406 | Q399-G404 PolarHBondContact NE2-O 3.08Å; G404-S406 PolarHBondContact O-N 2.76Å |
| 405 | F | 84 | Confident | 90.2 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 18% | 0.184 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -85.9 | 50.4 | -174.8 | -170 | -127.6 | 0 | 0 | 0 | 114.1 | K365 V381 L384 K385 L388 K403 | K365-F405 HydrophobicContact CD-CZ 4.48Å; K365-F405 HydrophobicContact CG-CZ 4.47Å; V381-F405 HydrophobicContact CG1-CE1 3.71Å; V381-F405 HydrophobicContact CG1-CZ 4.12Å; V381-F405 WeakPolarHBondContact O-CZ 3.17Å; L384-F405 HydrophobicContact CB-CZ 4.39Å; L384-F405 HydrophobicContact CD2-CE2 4.44Å; L384-F405 HydrophobicContact CD2-CZ 4.27Å; L384-F405 HydrophobicContact CG-CE2 4.05Å; L384-F405 HydrophobicContact CG-CZ 4.17Å; K385-F405 VanDerWaalsContact CA-CE2 3.41Å; K385-F405 HydrophobicContact CB-CB 4.47Å; K385-F405 HydrophobicContact CB-CD1 3.83Å; K385-F405 HydrophobicContact CB-CD2 3.67Å; K385-F405 HydrophobicContact CB-CE1 3.85Å; K385-F405 HydrophobicContact CB-CE2 3.72Å; K385-F405 HydrophobicContact CB-CG 3.72Å; K385-F405 HydrophobicContact CB-CZ 3.79Å; K385-F405 HydrophobicContact CD-CB 3.88Å; K385-F405 HydrophobicContact CD-CD1 3.83Å; K385-F405 HydrophobicContact CD-CG 3.86Å; K385-F405 HydrophobicContact CG-CB 3.84Å; K385-F405 HydrophobicContact CG-CD1 3.99Å; K385-F405 HydrophobicContact CG-CD2 3.9Å; K385-F405 HydrophobicContact CG-CE2 4.46Å; K385-F405 HydrophobicContact CG-CG 3.63Å; L388-F405 HydrophobicContact CD1-CD2 4.39Å; L388-F405 HydrophobicContact CD1-CE2 4.07Å; K403-F405 PolarHBondContact O-N 2.93Å |
| 406 | S | 88.1 | Confident | 90.3 | Very high | 47 Ų | 47 | 52 Ų | 52 | 33% | 0.329 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -145.7 | 173.3 | -178.4 | 64.7 | 0 | 0 | 0 | 0 | 111.3 | Q399 K403 G404 | Q399-S406 PolarHBondContact NE2-O 3.5Å; K403-S406 PolarHBondContact N-OG 2.98Å; K403-S406 PolarHBondContact O-OG 2.88Å; G404-S406 PolarHBondContact O-N 2.76Å |
| 407 | G | 90.7 | Very high | 90.4 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 69.4 | -146.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | T361 S401 | T361-G407 PolarHBondContact N-O 2.75Å; T361-G407 PolarHBondContact OG1-N 3.27Å; T361-G407 PolarHBondContact OG1-O 3.24Å; S401-G407 CarbonylContact O-C 3.58Å; S401-G407 WeakPolarHBondContact O-CA 3.45Å |
| 408 | T | 93.9 | Very high | 90.4 | Very high | 45 Ų | 45 | 53.4 Ų | 53.4 | 28% | 0.276 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 146.1 | -171.7 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | C359 I400 S401 | C359-T408 WeakPolarHBondContact O-CA 3.49Å; I400-T408 PolarHBondContact N-O 3.44Å; S401-T408 VanDerWaalsContact CB-OG1 3.29Å; S401-T408 WeakPolarHBondContact CB-OG1 3.48Å; S401-T408 PolarHBondContact N-O 3.24Å; S401-T408 PolarHBondContact N-OG1 3.13Å; S401-T408 PolarHBondContact O-N 2.94Å |
| 409 | F | 94.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 160.6 | 175.7 | -75.1 | -103.5 | 0 | 0 | 0 | 109.7 | F267 T358 C359 T361 L388 M397 E398 Q399 | F267-F409 HydrophobicContact CE1-CB 4.37Å; F267-F409 WeakPolarHBondContact CE1-O 3.37Å; F267-F409 HydrophobicContact CZ-CB 3.81Å; T358-F409 CarbonylContact C-O 3.53Å; T358-F409 VanDerWaalsContact CA-O 3.32Å; T358-F409 WeakPolarHBondContact CA-O 3.29Å; C359-F409 PolarHBondContact N-O 3.29Å; C359-F409 PolarHBondContact O-N 3.49Å; T361-F409 HydrophobicContact CG2-CD2 3.61Å; T361-F409 HydrophobicContact CG2-CE2 3.45Å; T361-F409 VanDerWaalsContact CG2-CE2 3.45Å; L388-F409 HydrophobicContact CB-CE1 4.28Å; L388-F409 HydrophobicContact CB-CZ 4.42Å; L388-F409 HydrophobicContact CD1-CD2 4.28Å; L388-F409 HydrophobicContact CD1-CE2 4.2Å; L388-F409 HydrophobicContact CD1-CZ 4.46Å; M397-F409 HydrophobicContact CE-CB 4.19Å; E398-F409 CarbonylContact O-C 3.47Å; E398-F409 WeakPolarHBondContact O-CA 3.4Å; Q399-F409 HydrophobicContact CB-CD1 4.16Å; Q399-F409 HydrophobicContact CB-CE1 3.79Å; Q399-F409 HydrophobicContact CB-CZ 4.01Å; Q399-F409 HydrophobicContact CG-CE1 4.41Å; Q399-F409 HydrophobicContact CG-CE2 4.38Å; Q399-F409 HydrophobicContact CG-CZ 4.14Å |
| 410 | Q | 93.7 | Very high | 90 | Very high | 50 Ų | 50 | 48.1 Ų | 48.1 | 23% | 0.234 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 147.6 | 177 | 178.8 | 170.1 | -50 | 0 | 0 | 110.1 | P356 K357 T358 M397 E398 I400 | P356-Q410 HydrophobicContact CB-CG 4.4Å; K357-Q410 WeakPolarHBondContact O-CA 3.39Å; T358-Q410 HydrophobicContact CG2-CB 4.11Å; T358-Q410 HydrophobicContact CG2-CG 4.06Å; M397-Q410 CarbonylContact C-O 3.43Å; M397-Q410 WeakPolarHBondContact CA-O 3.38Å; M397-Q410 WeakPolarHBondContact CB-O 3.35Å; E398-Q410 PolarHBondContact N-O 3.25Å; E398-Q410 PolarHBondContact O-N 3.09Å; I400-Q410 HydrophobicContact CD1-CB 3.91Å; I400-Q410 HydrophobicContact CG1-CB 3.56Å |
| 411 | L | 92.4 | Very high | 89.8 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 129.6 | 168.9 | -58.1 | -178.2 | 0 | 0 | 0 | 110 | W136 P264 F267 K357 M397 F413 | W136-L411 HydrophobicContact CZ3-CD2 4.21Å; P264-L411 HydrophobicContact CB-CD1 4.29Å; F267-L411 HydrophobicContact CB-CD1 3.98Å; F267-L411 HydrophobicContact CB-CD2 4.39Å; F267-L411 HydrophobicContact CB-CG 4.17Å; F267-L411 HydrophobicContact CD1-CD1 4.42Å; F267-L411 HydrophobicContact CD1-CD2 3.92Å; F267-L411 HydrophobicContact CD1-CG 3.71Å; F267-L411 HydrophobicContact CD2-CD2 4.28Å; F267-L411 HydrophobicContact CE1-CD2 4.22Å; F267-L411 HydrophobicContact CE1-CG 4.28Å; F267-L411 HydrophobicContact CG-CD1 4.36Å; F267-L411 HydrophobicContact CG-CD2 3.94Å; F267-L411 HydrophobicContact CG-CG 4Å; K357-L411 HydrophobicContact CB-CD1 3.98Å; K357-L411 HydrophobicContact CB-CG 4.21Å; K357-L411 HydrophobicContact CD-CD1 4Å; K357-L411 PolarHBondContact O-N 3.11Å; K357-L411 VanDerWaalsContact O-N 3.1Å; M397-L411 HydrophobicContact CE-CD2 4.2Å; M397-L411 HydrophobicContact CG-CD2 4.05Å; M397-L411 HydrophobicContact SD-CD2 4.39Å; L411-F413 VanDerWaalsContact C-N 3.29Å |
| 412 | C | 90.7 | Very high | 89.5 | Confident | 57 Ų | 57 | 44 Ų | 44 | 39% | 0.385 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -79.5 | -14 | 175.1 | -60.3 | 0 | 0 | 0 | 0 | 113.1 | G395 W396 M397 | G395-C412 VanDerWaalsContact O-CB 3.31Å; G395-C412 WeakPolarHBondContact O-CB 3.35Å; G395-C412 PolarHBondContact O-SG 2.95Å; W396-C412 PolarHBondContact O-N 2.93Å; M397-C412 VanDerWaalsContact CA-SG 3.53Å |
| 413 | F | 89.1 | Confident | 89.4 | Confident | 41 Ų | 41 | 44.1 Ų | 44.1 | 18% | 0.18 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -118.8 | 130.5 | -174.8 | -70.3 | -91.8 | 0 | 0 | 0 | 110.5 | A137 T138 L139 G395 L411 Y415 | A137-F413 HydrophobicContact CB-CD2 4.26Å; A137-F413 WeakPolarHBondContact O-CE1 3.16Å; A137-F413 WeakPolarHBondContact O-CZ 3.48Å; T138-F413 WeakPolarHBondContact O-CD1 3.46Å; L139-F413 HydrophobicContact CD2-CE1 4.03Å; L139-F413 HydrophobicContact CG-CE1 4.32Å; G395-F413 WeakPolarHBondContact O-CE2 3.47Å; L411-F413 VanDerWaalsContact C-N 3.29Å; F413-Y415 PolarHBondContact O-N 3.39Å |
| 414 | P | 89.6 | Confident | 89.2 | Confident | 60 Ų | 60 | 38.7 Ų | 38.7 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | trans | -53.8 | 125.8 | 169.7 | -31.3 | 38.8 | 0 | 0 | 0 | 112.2 | E355 Y416 | E355-P414 WeakPolarHBondContact OE1-CB 3.45Å; P414-Y416 HydrophobicContact CB-CE1 4.39Å; P414-Y416 HydrophobicContact CB-CE2 4.2Å | ||
| 415 | Y | 90.8 | Very high | 88.6 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | trans | -128.6 | 121.7 | 177.7 | 178.5 | -106 | 0 | 0 | 0 | 109.3 | W136 P264 T268 K357 F413 P417 | W136-Y415 HydrophobicContact CB-CD2 3.81Å; W136-Y415 HydrophobicContact CB-CE2 4.06Å; P264-Y415 HydrophobicContact CB-CD1 3.51Å; P264-Y415 HydrophobicContact CB-CD2 3.85Å; P264-Y415 HydrophobicContact CB-CE1 3.63Å; P264-Y415 HydrophobicContact CB-CE2 3.96Å; P264-Y415 HydrophobicContact CB-CG 3.63Å; T268-Y415 WeakPolarHBondContact OG1-CD1 3.5Å; K357-Y415 WeakPolarHBondContact CE-O 3.5Å; K357-Y415 PolarHBondContact NZ-O 2.76Å; F413-Y415 PolarHBondContact O-N 3.39Å; Y415-P417 HydrophobicContact CD1-CG 4.39Å; Y415-P417 HydrophobicContact CE1-CB 3.91Å; Y415-P417 HydrophobicContact CE1-CG 3.84Å | ||
| 416 | Y | 91.7 | Very high | 87.7 | Confident | 86 Ų | 86 | 46.6 Ų | 46.6 | 34% | 0.337 | 26% | 0.259 | S | S | . | . | trans | -127.8 | 91.6 | -178.4 | -48 | -47.9 | 0 | 0 | 0 | 108.3 | M353 E355 P414 | M353-Y416 HydrophobicContact CE-CD1 3.73Å; M353-Y416 HydrophobicContact CE-CD2 4.12Å; M353-Y416 HydrophobicContact CE-CE1 3.62Å; M353-Y416 HydrophobicContact CE-CE2 4.02Å; M353-Y416 HydrophobicContact CE-CG 4Å; M353-Y416 HydrophobicContact SD-CD1 3.49Å; M353-Y416 WeakPolarHBondContact SD-CD1 3.44Å; M353-Y416 HydrophobicContact SD-CD2 4.26Å; M353-Y416 HydrophobicContact SD-CE1 4.02Å; M353-Y416 HydrophobicContact SD-CG 3.64Å; E355-Y416 HydrophobicContact CG-CE1 4.43Å; E355-Y416 WeakPolarHBondContact OE1-CE1 3.4Å; E355-Y416 PolarHBondContact OE1-OH 2.79Å; P414-Y416 HydrophobicContact CB-CE1 4.39Å; P414-Y416 HydrophobicContact CB-CE2 4.2Å | ||
| 417 | P | 91.9 | Very high | 86.2 | Confident | 5 Ų | 5 | 48.3 Ų | 48.3 | 3% | 0.032 | 26% | 0.261 | C | S | . | . | trans | -71.2 | 147.9 | 178.1 | 28.1 | -32.7 | 0 | 0 | 0 | 111.3 | T268 Y284 A352 Y415 V421 L422 | T268-P417 HydrophobicContact CG2-CG 3.96Å; Y284-P417 WeakPolarHBondContact CE2-O 3.36Å; Y284-P417 PolarHBondContact OH-O 3.26Å; A352-P417 HydrophobicContact CB-CG 4.22Å; Y415-P417 HydrophobicContact CD1-CG 4.39Å; Y415-P417 HydrophobicContact CE1-CB 3.91Å; Y415-P417 HydrophobicContact CE1-CG 3.84Å; P417-V421 HydrophobicContact CB-CB 4.14Å; P417-V421 HydrophobicContact CB-CG1 3.81Å; P417-L422 HydrophobicContact CG-CB 4.42Å; P417-L422 HydrophobicContact CG-CD1 4.05Å | ||
| 418 | S | 91.2 | Very high | 84.3 | Confident | 40 Ų | 40 | 53.9 Ų | 53.9 | 28% | 0.28 | 28% | 0.28 | S | S | . | . | trans | -66.7 | 163 | 169.2 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | Y288 G420 V421 L422 | Y288-S418 VanDerWaalsContact CE1-CB 3.41Å; S418-G420 PolarHBondContact O-N 2.94Å; S418-V421 PolarHBondContact O-N 3.43Å; S418-V421 VanDerWaalsContact O-N 3.17Å; S418-V421 WeakPolarHBondContact OG-CG2 3.44Å; S418-L422 WeakPolarHBondContact O-CB 3.37Å; S418-L422 PolarHBondContact O-N 3.07Å | ||
| 419 | P | 89.9 | Confident | 82.4 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 17% | 0.169 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -51.2 | -52.8 | 178.6 | -31.3 | 37.9 | 0 | 0 | 0 | 113.6 | Y284 Y288 Y289 V421 L422 Y423 | Y284-P419 HydrophobicContact CE1-CG 4.16Å; Y284-P419 WeakPolarHBondContact OH-CD 3.39Å; Y288-P419 HydrophobicContact CG-CG 4.21Å; Y289-P419 HydrophobicContact CE1-CG 4.49Å; Y289-P419 HydrophobicContact CE2-CG 3.62Å; Y289-P419 WeakPolarHBondContact OH-CB 3.17Å; Y289-P419 WeakPolarHBondContact OH-CG 3.17Å; P419-V421 VanDerWaalsContact C-N 3.35Å; P419-V421 PolarHBondContact O-N 3.1Å; P419-L422 CarbonylContact O-C 3.27Å; P419-L422 WeakPolarHBondContact O-CA 3.29Å; P419-L422 WeakPolarHBondContact O-CB 3.32Å; P419-L422 PolarHBondContact O-N 2.88Å; P419-Y423 PolarHBondContact O-N 2.76Å |
| 420 | G | 86.8 | Confident | 80.5 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 17% | 0.165 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.7 | -33.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S418 L422 Y423 P424 Q427 | S418-G420 PolarHBondContact O-N 2.94Å; G420-L422 PolarHBondContact O-N 3.25Å; G420-Y423 CarbonylContact O-C 3.6Å; G420-P424 WeakPolarHBondContact O-CA 3.19Å; G420-P424 WeakPolarHBondContact O-CD 3.42Å; G420-P424 WeakPolarHBondContact O-CG 3.37Å; G420-Q427 VanDerWaalsContact CA-OE1 3.27Å |
| 421 | V | 89.3 | Confident | 78.4 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 40% | 0.4 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -71.2 | -23.6 | 173.1 | 173.4 | 0 | 0 | 0 | 0 | 111.5 | L265 P417 S418 P419 | L265-V421 HydrophobicContact CD1-CG1 4.48Å; L265-V421 WeakPolarHBondContact CD1-O 3.37Å; L265-V421 WeakPolarHBondContact CD2-O 3.43Å; P417-V421 HydrophobicContact CB-CB 4.14Å; P417-V421 HydrophobicContact CB-CG1 3.81Å; S418-V421 PolarHBondContact O-N 3.43Å; S418-V421 VanDerWaalsContact O-N 3.17Å; S418-V421 WeakPolarHBondContact OG-CG2 3.44Å; P419-V421 VanDerWaalsContact C-N 3.35Å; P419-V421 PolarHBondContact O-N 3.1Å |
| 422 | L | 86.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -90.9 | -34.3 | 178.4 | -168 | 64.4 | 0 | 0 | 0 | 112.4 | L265 T268 R269 A351 A352 P417 S418 P419 G420 | L265-L422 HydrophobicContact CD1-CD1 4.06Å; T268-L422 HydrophobicContact CG2-CD1 3.82Å; R269-L422 PolarHBondContact NH1-O 3.48Å; R269-L422 PolarHBondContact NH2-O 3.35Å; A351-L422 HydrophobicContact CB-CD2 3.94Å; A352-L422 HydrophobicContact CB-CD2 4.23Å; P417-L422 HydrophobicContact CG-CB 4.42Å; P417-L422 HydrophobicContact CG-CD1 4.05Å; S418-L422 WeakPolarHBondContact O-CB 3.37Å; S418-L422 PolarHBondContact O-N 3.07Å; P419-L422 CarbonylContact O-C 3.27Å; P419-L422 WeakPolarHBondContact O-CA 3.29Å; P419-L422 WeakPolarHBondContact O-CB 3.32Å; P419-L422 PolarHBondContact O-N 2.88Å; G420-L422 PolarHBondContact O-N 3.25Å |
| 423 | Y | 85.4 | Confident | 74.4 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 18% | 0.18 | 35% | 0.351 | C | S | . | . | trans | -137.2 | 75.8 | -179.9 | -61.6 | -82.1 | 0 | 0 | 0 | 110.2 | L347 P419 G420 E425 K426 Q427 | L347-Y423 HydrophobicContact CD2-CE1 4.48Å; L347-Y423 HydrophobicContact CD2-CE2 3.87Å; L347-Y423 VanDerWaalsContact CD2-OH 3.26Å; L347-Y423 WeakPolarHBondContact CD2-OH 3.18Å; P419-Y423 PolarHBondContact O-N 2.76Å; G420-Y423 CarbonylContact O-C 3.6Å; Y423-E425 VanDerWaalsContact C-N 3.31Å; Y423-E425 PolarHBondContact O-N 2.95Å; Y423-K426 HydrophobicContact CG-CD 4.43Å; Y423-K426 PolarHBondContact O-N 2.87Å; Y423-Q427 PolarHBondContact O-N 3.38Å | ||
| 424 | P | 80.4 | Confident | 72.4 | Confident | 74 Ų | 74 | 71 Ų | 71 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.6 | -39.5 | -179.1 | -21.7 | 32.4 | 0 | 0 | 0 | 112.7 | G420 Q427 Q428 | G420-P424 WeakPolarHBondContact O-CA 3.19Å; G420-P424 WeakPolarHBondContact O-CD 3.42Å; G420-P424 WeakPolarHBondContact O-CG 3.37Å; P424-Q427 PolarHBondContact O-N 3.02Å; P424-Q428 PolarHBondContact O-N 3.41Å |
| 425 | E | 69.8 | Low | 70.3 | Confident | 148 Ų | 148 | 70.7 Ų | 70.7 | 69% | 0.692 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -55.2 | -55.7 | 178.6 | -61.9 | 160.8 | 160.3 | 0 | 0 | 110.8 | Y423 Q427 Q428 D429 | Y423-E425 VanDerWaalsContact C-N 3.31Å; Y423-E425 PolarHBondContact O-N 2.95Å; E425-Q427 PolarHBondContact O-N 2.88Å; E425-Q428 PolarHBondContact O-N 2.81Å; E425-D429 PolarHBondContact O-N 2.93Å; E425-D429 VanDerWaalsContact O-N 3.12Å |
| 426 | K | 65.1 | Low | 68.3 | Low | 88 Ų | 88 | 73.5 Ų | 73.5 | 38% | 0.383 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -55.7 | -28.3 | 178.1 | -82.1 | -172.4 | 158.8 | -114.3 | 0 | 114.4 | D344 Y423 D429 E430 | D344-K426 IonicContact OD1-NZ 3.21Å; D344-K426 PolarHBondContact OD1-NZ 2.89Å; Y423-K426 HydrophobicContact CG-CD 4.43Å; Y423-K426 PolarHBondContact O-N 2.87Å; K426-D429 WeakPolarHBondContact CA-OD2 3.12Å; K426-E430 WeakPolarHBondContact O-CG 3.22Å; K426-E430 PolarHBondContact O-N 3.07Å |
| 427 | Q | 56.7 | Low | 66.4 | Low | 82 Ų | 82 | 76 Ų | 76 | 38% | 0.383 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -82.5 | -25.9 | 178.5 | -155.8 | -174.3 | -28.8 | 0 | 0 | 111.6 | G420 Y423 P424 E425 D429 D431 | G420-Q427 VanDerWaalsContact CA-OE1 3.27Å; Y423-Q427 PolarHBondContact O-N 3.38Å; P424-Q427 PolarHBondContact O-N 3.02Å; E425-Q427 PolarHBondContact O-N 2.88Å; Q427-D429 VanDerWaalsContact C-N 3.3Å; Q427-D431 PolarHBondContact NE2-OD1 3.04Å; Q427-D431 WeakPolarHBondContact O-CB 3.05Å; Q427-D431 PolarHBondContact O-N 3.41Å |
| 428 | Q | 51.5 | Low | 64.2 | Low | 145 Ų | 145 | 82.7 Ų | 82.7 | 68% | 0.678 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -72.8 | -27.4 | 169 | -58.4 | -170.3 | -74.6 | 0 | 0 | 111.9 | P424 E425 S432 | P424-Q428 PolarHBondContact O-N 3.41Å; E425-Q428 PolarHBondContact O-N 2.81Å; Q428-S432 WeakPolarHBondContact O-CB 3.22Å; Q428-S432 PolarHBondContact O-N 3.37Å |
| 429 | D | 53.2 | Low | 62.3 | Low | 94 Ų | 94 | 87.3 Ų | 87.3 | 50% | 0.503 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.2 | -52.9 | 168.4 | -50.7 | -40 | 0 | 0 | 0 | 110 | E425 K426 Q427 D431 S432 E433 | E425-D429 PolarHBondContact O-N 2.93Å; E425-D429 VanDerWaalsContact O-N 3.12Å; K426-D429 WeakPolarHBondContact CA-OD2 3.12Å; Q427-D429 VanDerWaalsContact C-N 3.3Å; D429-D431 PolarHBondContact O-N 3.4Å; D429-S432 WeakPolarHBondContact O-CB 3.33Å; D429-S432 PolarHBondContact O-N 3.36Å; D429-S432 VanDerWaalsContact O-N 3.08Å; D429-E433 PolarHBondContact O-N 2.9Å |
| 430 | E | 53.9 | Low | 60.4 | Low | 94 Ų | 94 | 92.9 Ų | 92.9 | 44% | 0.439 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 177.8 | -73.7 | 173.9 | -175.3 | 0 | 0 | 113.1 | K426 S432 E433 E434 | K426-E430 WeakPolarHBondContact O-CG 3.22Å; K426-E430 PolarHBondContact O-N 3.07Å; E430-S432 PolarHBondContact O-N 3.4Å; E430-E433 PolarHBondContact O-N 2.87Å; E430-E434 WeakPolarHBondContact O-CB 3.19Å; E430-E434 PolarHBondContact O-N 3Å |
| 431 | D | 51.5 | Low | 58.6 | Low | 94 Ų | 94 | 99.6 Ų | 99.6 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.7 | -11.6 | 176.3 | -63.4 | -16.7 | 0 | 0 | 0 | 112.2 | Q427 D429 | Q427-D431 PolarHBondContact NE2-OD1 3.04Å; Q427-D431 WeakPolarHBondContact O-CB 3.05Å; Q427-D431 PolarHBondContact O-N 3.41Å; D429-D431 PolarHBondContact O-N 3.4Å |
| 432 | S | 48.1 | Very low | 56.7 | Low | 61 Ų | 61 | 103.6 Ų | 103.6 | 43% | 0.427 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -96.2 | -42.1 | 174 | -166.5 | 0 | 0 | 0 | 0 | 111.5 | Q428 D429 E430 E434 S435 D436 | Q428-S432 WeakPolarHBondContact O-CB 3.22Å; Q428-S432 PolarHBondContact O-N 3.37Å; D429-S432 WeakPolarHBondContact O-CB 3.33Å; D429-S432 PolarHBondContact O-N 3.36Å; D429-S432 VanDerWaalsContact O-N 3.08Å; E430-S432 PolarHBondContact O-N 3.4Å; S432-E434 VanDerWaalsContact C-N 3.33Å; S432-E434 PolarHBondContact O-N 3.25Å; S432-S435 WeakPolarHBondContact O-CA 3.29Å; S432-S435 WeakPolarHBondContact O-CB 3.34Å; S432-S435 PolarHBondContact O-N 3.25Å; S432-D436 PolarHBondContact O-N 3.22Å |
| 433 | E | 51 | Low | 55.1 | Low | 126 Ų | 126 | 106.7 Ų | 106.7 | 59% | 0.589 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63 | -38.2 | 173.9 | -69.1 | 177.2 | 174 | 0 | 0 | 111 | D429 E430 S435 D436 E437 | D429-E433 PolarHBondContact O-N 2.9Å; E430-E433 PolarHBondContact O-N 2.87Å; E433-S435 PolarHBondContact O-N 2.92Å; E433-D436 PolarHBondContact O-N 3.06Å; E433-E437 WeakPolarHBondContact O-CG 3.49Å; E433-E437 PolarHBondContact O-N 2.84Å |
| 434 | E | 46.6 | Very low | 53.4 | Low | 98 Ų | 98 | 111.8 Ų | 111.8 | 46% | 0.458 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -71 | -10.3 | 173.9 | -154 | 162.3 | -122.4 | 0 | 0 | 112.1 | K291 E430 S432 E438 | K291-E434 IonicContact NZ-OE1 2.63Å; K291-E434 PolarHBondContact NZ-OE1 2.58Å; E430-E434 WeakPolarHBondContact O-CB 3.19Å; E430-E434 PolarHBondContact O-N 3Å; S432-E434 VanDerWaalsContact C-N 3.33Å; S432-E434 PolarHBondContact O-N 3.25Å; E434-E438 WeakPolarHBondContact O-CG 3.36Å |
| 435 | S | 45.3 | Very low | 51.7 | Low | 53 Ų | 53 | 116.1 Ų | 116.1 | 37% | 0.371 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -95.4 | -35.9 | 172.9 | -168.7 | 0 | 0 | 0 | 0 | 113 | S432 E433 E437 E438 E439 | S432-S435 WeakPolarHBondContact O-CA 3.29Å; S432-S435 WeakPolarHBondContact O-CB 3.34Å; S432-S435 PolarHBondContact O-N 3.25Å; E433-S435 PolarHBondContact O-N 2.92Å; S435-E437 VanDerWaalsContact C-N 3.35Å; S435-E438 PolarHBondContact O-N 3.02Å; S435-E439 PolarHBondContact O-N 2.9Å |
| 436 | D | 48.3 | Very low | 50.7 | Low | 101 Ų | 101 | 116.3 Ų | 116.3 | 54% | 0.54 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.8 | -37.1 | 171.7 | -68.2 | -35.7 | 0 | 0 | 0 | 110.1 | S432 E433 E439 E440 | S432-D436 PolarHBondContact O-N 3.22Å; E433-D436 PolarHBondContact O-N 3.06Å; D436-E439 PolarHBondContact O-N 2.84Å; D436-E440 PolarHBondContact O-N 2.98Å |
| 437 | E | 51 | Low | 49.8 | Very low | 140 Ų | 140 | 120 Ų | 120 | 65% | 0.654 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.1 | -33.2 | 172.7 | -74 | -175.9 | 176.4 | 0 | 0 | 112.8 | E433 S435 E441 | E433-E437 WeakPolarHBondContact O-CG 3.49Å; E433-E437 PolarHBondContact O-N 2.84Å; S435-E437 VanDerWaalsContact C-N 3.35Å; E437-E441 PolarHBondContact O-N 3.36Å |
| 438 | E | 47.5 | Very low | 49.1 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 67% | 0.673 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -74.6 | -35.6 | 174.6 | -79.3 | -175.6 | 178.1 | 0 | 0 | 112.5 | E434 S435 E442 | E434-E438 WeakPolarHBondContact O-CG 3.36Å; S435-E438 PolarHBondContact O-N 3.02Å; E438-E442 PolarHBondContact O-N 3.37Å; E438-E442 VanDerWaalsContact O-N 3.16Å |
| 439 | E | 50.3 | Low | 48.4 | Very low | 137 Ų | 137 | 122.5 Ų | 122.5 | 64% | 0.64 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71 | -30 | 173.6 | -75.4 | -170.7 | -162.4 | 0 | 0 | 112.8 | S435 D436 S443 | S435-E439 PolarHBondContact O-N 2.9Å; D436-E439 PolarHBondContact O-N 2.84Å; E439-S443 PolarHBondContact O-N 3.16Å |
| 440 | E | 50.6 | Low | 47.8 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 67% | 0.668 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -70 | -46.7 | 173 | -76.1 | -169.1 | 168 | 0 | 0 | 112.2 | D436 S443 E444 | D436-E440 PolarHBondContact O-N 2.98Å; E440-S443 PolarHBondContact O-N 3.5Å; E440-S443 PolarHBondContact O-OG 2.77Å; E440-E444 PolarHBondContact O-N 2.59Å |
| 441 | E | 48.1 | Very low | 47.2 | Very low | 157 Ų | 157 | 130.8 Ų | 130.8 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.7 | -35 | 177.4 | -77.1 | -166 | 179 | 0 | 0 | 113 | E437 S443 E444 E445 | E437-E441 PolarHBondContact O-N 3.36Å; E441-S443 PolarHBondContact O-N 3.06Å; E441-E444 PolarHBondContact O-N 3.02Å; E441-E445 PolarHBondContact O-N 3.44Å |
| 442 | E | 50.5 | Low | 46.7 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -65.1 | -28 | 173.7 | -167.4 | 167.9 | -131.9 | 0 | 0 | 111.8 | E438 E446 | E438-E442 PolarHBondContact O-N 3.37Å; E438-E442 VanDerWaalsContact O-N 3.16Å; E442-E446 PolarHBondContact O-N 3.05Å |
| 443 | S | 51.8 | Low | 46.3 | Very low | 65 Ų | 65 | 141.9 Ų | 141.9 | 46% | 0.455 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -77.7 | -31.8 | 175.9 | 78.2 | 0 | 0 | 0 | 0 | 114.4 | E439 E440 E441 E447 | E439-S443 PolarHBondContact O-N 3.16Å; E440-S443 PolarHBondContact O-N 3.5Å; E440-S443 PolarHBondContact O-OG 2.77Å; E441-S443 PolarHBondContact O-N 3.06Å; S443-E447 PolarHBondContact O-N 3.41Å |
| 444 | E | 49.4 | Very low | 45.4 | Very low | 153 Ų | 153 | 142 Ų | 142 | 72% | 0.715 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -73.1 | -31.5 | 174.5 | -68.7 | -163.6 | 166 | 0 | 0 | 111.9 | E440 E441 E448 | E440-E444 PolarHBondContact O-N 2.59Å; E441-E444 PolarHBondContact O-N 3.02Å; E444-E448 PolarHBondContact O-N 2.97Å |
| 445 | E | 46 | Very low | 45 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 77% | 0.771 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -71.7 | -27.4 | 173.6 | -72.6 | -159.9 | 167 | 0 | 0 | 113.7 | E441 | E441-E445 PolarHBondContact O-N 3.44Å |
| 446 | E | 48 | Very low | 44.5 | Very low | 152 Ų | 152 | 151.4 Ų | 151.4 | 71% | 0.71 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -73.5 | -39 | 172.9 | -74.6 | -156.3 | 150.8 | 0 | 0 | 112.6 | E442 S449 | E442-E446 PolarHBondContact O-N 3.05Å; E446-S449 PolarHBondContact O-N 2.78Å |
| 447 | E | 45.6 | Very low | 43.8 | Very low | 165 Ų | 165 | 155.8 Ų | 155.8 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | H | α-helix | trans | -69.1 | -34.5 | 178.5 | -75.3 | -158.5 | 171.1 | 0 | 0 | 113.5 | S443 S449 | S443-E447 PolarHBondContact O-N 3.41Å; E447-S449 PolarHBondContact O-N 2.67Å |
| 448 | E | 42.1 | Very low | 43.1 | Very low | 181 Ų | 181 | 157.6 Ų | 157.6 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -12.8 | 176.5 | -160.2 | 172.7 | -133 | 0 | 0 | 112.4 | E444 | E444-E448 PolarHBondContact O-N 2.97Š|
| 449 | S | 38.8 | Very low | 44 | Very low | 99 Ų | 99 | 155 Ų | 155 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -13 | -179.4 | -169.4 | 0 | 0 | 0 | 0 | 115.5 | E446 E447 | E446-S449 PolarHBondContact O-N 2.78Å; E447-S449 PolarHBondContact O-N 2.67Å |
| 450 | E | 40.5 | Very low | 43.8 | Very low | 178 Ų | 178 | 154.1 Ų | 154.1 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -96.1 | -8.9 | -174.7 | -67.8 | -150.8 | 143.8 | 0 | 0 | 115.1 | ||
| 451 | E | 40.1 | Very low | 43.8 | Very low | 184 Ų | 184 | 152.3 Ų | 152.3 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -89.2 | -4.9 | -173.2 | -69.1 | -147.5 | 145.3 | 0 | 0 | 117.1 | ||
| 452 | E | 41.6 | Very low | 43.8 | Very low | 202 Ų | 202 | 154.7 Ų | 154.7 | 94% | 0.944 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -100 | 39 | -177.4 | -78.3 | -136.8 | 149.2 | 0 | 0 | 116.8 | ||
| 453 | E | 39.1 | Very low | 43.1 | Very low | 187 Ų | 187 | 158.1 Ų | 158.1 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -150.1 | 85.5 | 166 | -158.2 | 172.2 | -141.6 | 0 | 0 | 117 | ||||
| 454 | S | 32 | Very low | 42.4 | Very low | 128 Ų | 128 | 165.4 Ų | 165.4 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -169.8 | 146.3 | 146 | -130.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 455 | E | 37.9 | Very low | 41.9 | Very low | 176 Ų | 176 | 164.1 Ų | 164.1 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -87.6 | 174 | 172.5 | -85 | 170.9 | 146.2 | 0 | 0 | 111.7 | ||||
| 456 | E | 35.4 | Very low | 41.6 | Very low | 173 Ų | 173 | 164.4 Ų | 164.4 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | cis | -167.2 | 178.1 | -8.3 | 161.5 | 172.5 | -158.8 | 0 | 0 | 109.1 | ||||
| 457 | E | 33 | Very low | 41.1 | Very low | 192 Ų | 192 | 166 Ų | 166 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | 97.4 | 158.3 | 158.1 | -117.8 | -166.8 | 134.9 | 0 | 0 | 121.1 | ||||
| 458 | E | 36.2 | Very low | 40.9 | Very low | 178 Ų | 178 | 169.1 Ų | 169.1 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -123.4 | -162 | -148.4 | -135.8 | -145.2 | 140.1 | 0 | 0 | 114.8 | ||||
| 459 | P | 66.3 | Low | 41.1 | Very low | 89 Ų | 89 | 166 Ų | 166 | 58% | 0.578 | 81% | 0.811 | S | S | * | * | trans | -120.6 | -167.8 | -136.6 | 38.8 | -16.4 | 0 | 0 | 0 | 114.7 | ||||
| 460 | P | 46.6 | Very low | 42 | Very low | 119 Ų | 119 | 166.9 Ų | 166.9 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | -149 | -158.7 | 108.4 | 44.8 | -26.9 | 0 | 0 | 0 | 113.5 | |||||
| 461 | P | 51.5 | Low | 42.1 | Very low | 105 Ų | 105 | 164.6 Ų | 164.6 | 68% | 0.682 | 82% | 0.815 | S | S | * | * | -135.7 | 139.3 | -104.4 | 36.8 | -14.5 | 0 | 0 | 0 | 119.6 | |||||
| 462 | K | 47.7 | Very low | 42 | Very low | 208 Ų | 208 | 165.2 Ų | 165.2 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | trans | 50.9 | 126.4 | 135.7 | -62.6 | 168.7 | -178.7 | 162.2 | 0 | 121.5 | ||||
| 463 | K | 36.4 | Very low | 42.1 | Very low | 221 Ų | 221 | 160.5 Ų | 160.5 | 96% | 0.961 | 80% | 0.804 | S | S | * | * | trans | -147.9 | 142.6 | 135.4 | -116.6 | 163.9 | -170.6 | 170.1 | 0 | 114.9 | ||||
| 464 | R | 36.3 | Very low | 42.2 | Very low | 218 Ų | 218 | 162.4 Ų | 162.4 | 82% | 0.823 | 80% | 0.803 | S | S | * | * | trans | -83.3 | 165.6 | -175 | -129 | 174.4 | 52.9 | -158 | -3.8 | 110 | ||||
| 465 | M | 38.3 | Very low | 42.4 | Very low | 126 Ų | 126 | 161 Ų | 161 | 62% | 0.621 | 79% | 0.793 | S | S | * | * | cis | -146.2 | -168.5 | 17.1 | -53.5 | -177.7 | 59.9 | 0 | 0 | 108.7 | ||||
| 466 | Q | 40.1 | Very low | 42.3 | Very low | 171 Ų | 171 | 164.3 Ų | 164.3 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | cis | -148.6 | -128.4 | 3.5 | -157.4 | 162.1 | -10.4 | 0 | 0 | 112.2 | ||||
| 467 | K | 37.5 | Very low | 42.2 | Very low | 187 Ų | 187 | 160.1 Ų | 160.1 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | -168.2 | 146.9 | -172 | -133.1 | 171.3 | -173.6 | 170.8 | 0 | 115.4 | ||||
| 468 | R | 40.8 | Very low | 42.9 | Very low | 230 Ų | 230 | 156.9 Ų | 156.9 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | 72.1 | 170.8 | 161.2 | -49.8 | 177 | 90 | -174.9 | 8.7 | 117.8 | ||||
| 469 | P | 47 | Very low | 43.4 | Very low | 116 Ų | 116 | 153.9 Ų | 153.9 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | cis | -131.5 | -178.9 | -30.2 | 26.4 | -3.7 | 0 | 0 | 0 | 114.5 | ||||
| 470 | P | 56.8 | Low | 42.1 | Very low | 117 Ų | 117 | 159 Ų | 159 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | trans | -104.4 | 162.8 | -178.8 | 39.5 | -35.4 | 0 | 0 | 0 | 116.7 | ||||
| 471 | P | 43.3 | Very low | 41.8 | Very low | 130 Ų | 130 | 162.7 Ų | 162.7 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | trans | -93.8 | 169.4 | 172.8 | 36.8 | -34.2 | 0 | 0 | 0 | 115 | ||||
| 472 | K | 39.1 | Very low | 40.9 | Very low | 196 Ų | 196 | 168 Ų | 168 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | trans | -131.2 | 134.6 | -171.1 | -79.1 | 179.8 | 173.6 | 176.4 | 0 | 115.1 | ||||
| 473 | S | 43.5 | Very low | 40.3 | Very low | 103 Ų | 103 | 168.5 Ų | 168.5 | 72% | 0.72 | 81% | 0.81 | S | S | * | * | trans | 54.1 | 165.5 | 135.3 | 76.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 474 | R | 41 | Very low | 40.2 | Very low | 228 Ų | 228 | 166.5 Ų | 166.5 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | 85.9 | 145.9 | 170 | -54.7 | 171.7 | 72.6 | 160.1 | 2.4 | 116.9 | ||||
| 475 | S | 35.3 | Very low | 40.2 | Very low | 99 Ų | 99 | 161.9 Ų | 161.9 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | cis | -169.7 | 126.3 | -23.5 | 50.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 476 | R | 35.4 | Very low | 40.2 | Very low | 245 Ų | 245 | 165 Ų | 165 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | 54.1 | 117.6 | 136.8 | -171.8 | 174 | 179.2 | -162.9 | 0 | 122.6 | ||||
| 477 | A | 34.2 | Very low | 40.4 | Very low | 85 Ų | 85 | 162.8 Ų | 162.8 | 70% | 0.702 | 82% | 0.815 | S | S | * | * | trans | 79.8 | 155.6 | 138.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 478 | P | 46.9 | Very low | 40.4 | Very low | 123 Ų | 123 | 163.4 Ų | 163.4 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | cis | -134.7 | -136.2 | -28 | 43.2 | -22.8 | 0 | 0 | 0 | 112.7 | ||||
| 479 | P | 47.1 | Very low | 41.1 | Very low | 115 Ų | 115 | 157.7 Ų | 157.7 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | trans | -126 | 163.5 | -138 | 32.8 | -8 | 0 | 0 | 0 | 117.9 | ||||
| 480 | M | 39.8 | Very low | 40.4 | Very low | 197 Ų | 197 | 163 Ų | 163 | 97% | 0.97 | 82% | 0.816 | S | S | * | * | trans | -136.3 | 159.8 | 166.5 | -66.6 | -161.8 | 94.2 | 0 | 0 | 113.6 | ||||
| 481 | K | 39.3 | Very low | 39.5 | Very low | 197 Ų | 197 | 166 Ų | 166 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | -99 | 147.6 | -165.6 | -52.1 | 166.3 | -177.4 | 173.2 | 0 | 112.3 | ||||
| 482 | R | 33.6 | Very low | 39.2 | Very low | 215 Ų | 215 | 165.4 Ų | 165.4 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | 171.4 | 127.8 | 115.9 | -96.1 | 166.2 | 60 | 173.4 | -1.7 | 116.6 | |||||
| 483 | R | 34.5 | Very low | 39.3 | Very low | 220 Ų | 220 | 162.3 Ų | 162.3 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | trans | 57 | 134.9 | 132.6 | -67.7 | 176.1 | 62 | 177 | -0.9 | 121.7 | ||||
| 484 | E | 34 | Very low | 39 | Very low | 179 Ų | 179 | 162 Ų | 162 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -70.8 | 166.1 | 171.9 | -45.4 | 151.6 | 102.8 | 0 | 0 | 114 | ||||
| 485 | S | 37.7 | Very low | 38.8 | Very low | 120 Ų | 120 | 155.4 Ų | 155.4 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -144.6 | 137.1 | 162.5 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 486 | K | 37 | Very low | 38.8 | Very low | 192 Ų | 192 | 161.3 Ų | 161.3 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -104.9 | 144.1 | 178.2 | -66.1 | 175.2 | 179.2 | 172.9 | 0 | 111.4 | ||||
| 487 | P | 43.7 | Very low | 38.7 | Very low | 124 Ų | 124 | 160.3 Ų | 160.3 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | trans | -91 | 143.4 | 175.6 | 34.7 | -33.8 | 0 | 0 | 0 | 113.9 | ||||
| 488 | K | 37.7 | Very low | 38.7 | Very low | 201 Ų | 201 | 159.9 Ų | 159.9 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -167 | 174.1 | 171.4 | -80.1 | -159.8 | 178.7 | -179.8 | 0 | 108.6 | ||||
| 489 | P | 55.6 | Low | 38.2 | Very low | 109 Ų | 109 | 164.2 Ų | 164.2 | 71% | 0.708 | 82% | 0.823 | S | S | * | * | -140.9 | 168.7 | -56.2 | 41.7 | -25.9 | 0 | 0 | 0 | 113.8 | |||||
| 490 | R | 33.8 | Very low | 37.6 | Very low | 228 Ų | 228 | 163.3 Ų | 163.3 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | 160.4 | 161.2 | 150.6 | -97.2 | 177.8 | 172.1 | -125.4 | 5.4 | 110.9 | ||||
| 491 | K | 36.8 | Very low | 37.4 | Very low | 179 Ų | 179 | 163.8 Ų | 163.8 | 78% | 0.778 | 82% | 0.821 | S | S | * | * | cis | -160.5 | 162.9 | -37.7 | -122.7 | -170.4 | -179.2 | -172.5 | 0 | 109.7 | ||||
| 492 | T | 37.5 | Very low | 38 | Very low | 119 Ų | 119 | 159.8 Ų | 159.8 | 73% | 0.73 | 82% | 0.815 | S | S | * | * | trans | -71.9 | 166 | -179.2 | 53.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 493 | P | 41.7 | Very low | 39 | Very low | 131 Ų | 131 | 155 Ų | 155 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -103.4 | 170.9 | 134.4 | 35.5 | -31.7 | 0 | 0 | 0 | 113.4 | ||||
| 494 | A | 35.4 | Very low | 39.6 | Very low | 97 Ų | 97 | 150.4 Ų | 150.4 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -142.5 | 174.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 495 | A | 37.2 | Very low | 39.8 | Very low | 89 Ų | 89 | 151.8 Ų | 151.8 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | cis | -176 | 167.7 | -24.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 496 | R | 35.1 | Very low | 39.8 | Very low | 223 Ų | 223 | 152 Ų | 152 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | 149.8 | 153.4 | 163.4 | -90.8 | 166.5 | 166.7 | -130.8 | -1.2 | 109.5 | ||||
| 497 | R | 34.6 | Very low | 39.8 | Very low | 223 Ų | 223 | 152.2 Ų | 152.2 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | cis | -161.3 | 136.5 | -20.2 | -121.5 | 170.7 | 97.4 | -132.6 | 12.4 | 107.4 | ||||
| 498 | G | 32.9 | Very low | 39.4 | Very low | 77 Ų | 77 | 152.7 Ų | 152.7 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 171.6 | 140.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 499 | K | 36.8 | Very low | 39.5 | Very low | 214 Ų | 214 | 149.2 Ų | 149.2 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -134.3 | 143.2 | -178.9 | -85 | -168.2 | 175.2 | -174.4 | 0 | 112.3 | ||||
| 500 | A | 34 | Very low | 38.4 | Very low | 96 Ų | 96 | 149 Ų | 149 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | trans | 63 | 113.9 | 149 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 501 | K | 36.7 | Very low | 38.5 | Very low | 206 Ų | 206 | 147.9 Ų | 147.9 | 90% | 0.896 | 82% | 0.819 | S | S | * | * | -160.3 | 141.7 | 117.4 | -106.2 | 170.8 | -176.2 | 178.2 | 0 | 110.3 | |||||
| 502 | P | 52.4 | Low | 38.3 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 158.1 | 173.1 | 35 | -34.2 | 0 | 0 | 0 | 112 | ||
| 503 | P | 53.3 | Low | 38.1 | Very low | 116 Ų | 116 | 148.1 Ų | 148.1 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 152.2 | 171 | 30.1 | -34.7 | 0 | 0 | 0 | 111.9 | ||
| 504 | P | 47.8 | Very low | 38 | Very low | 123 Ų | 123 | 151.6 Ų | 151.6 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 141.8 | -167.3 | 30.8 | -35.8 | 0 | 0 | 0 | 114.5 | ||
| 505 | K | 38.8 | Very low | 38.1 | Very low | 208 Ų | 208 | 153.1 Ų | 153.1 | 90% | 0.904 | 83% | 0.83 | S | S | * | * | trans | -108.5 | 123.3 | 158.8 | -73.6 | -176.7 | 176.1 | -178.7 | 0 | 109.1 | ||||
| 506 | V | 36.9 | Very low | 37.9 | Very low | 124 Ų | 124 | 153.4 Ų | 153.4 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | -133.8 | 99 | 172.3 | -177.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 507 | K | 36.3 | Very low | 38 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 85% | 0.852 | 83% | 0.831 | S | S | * | * | trans | 53.6 | 116.3 | 138.8 | -57.2 | -179.8 | -177.9 | -179.1 | 0 | 120.8 | ||||
| 508 | T | 36.7 | Very low | 38.4 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 83% | 0.828 | 83% | 0.829 | S | S | * | * | trans | -73.2 | 143.6 | 151 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 509 | P | 38.4 | Very low | 38.3 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | trans | -85.1 | 158.3 | 154.5 | 34.6 | -31.4 | 0 | 0 | 0 | 111.4 | ||||
| 510 | A | 33.7 | Very low | 38.1 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | trans | -115.8 | 166.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 511 | K | 36.3 | Very low | 38.1 | Very low | 205 Ų | 205 | 145 Ų | 145 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | -58.4 | 135.6 | -169.1 | -61 | 172.9 | 177.3 | 175.5 | 0 | 116.1 | ||||
| 512 | K | 31.9 | Very low | 38.2 | Very low | 210 Ų | 210 | 144.5 Ų | 144.5 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | trans | 170.9 | 146.6 | 138 | -96.4 | 168.1 | -177.9 | -177 | 0 | 107.7 | ||||
| 513 | A | 32.5 | Very low | 37.7 | Very low | 92 Ų | 92 | 144.7 Ų | 144.7 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | cis | -152.7 | -169.6 | -10.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 514 | K | 40.3 | Very low | 36.7 | Very low | 205 Ų | 205 | 144.7 Ų | 144.7 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | trans | -63.4 | 156 | 177.3 | -56.9 | 175.5 | -178.9 | 176.9 | 0 | 112.8 | ||||
| 515 | P | 37.2 | Very low | 35.8 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | trans | -111.7 | 140.3 | 141.3 | 34.6 | -27.8 | 0 | 0 | 0 | 111.7 | ||||
| 516 | A | 33.6 | Very low | 35.3 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | -110.4 | 166.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 517 | A | 37.8 | Very low | 35.1 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -65.2 | 152.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 518 | P | 41.2 | Very low | 34.9 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 79% | 0.786 | 82% | 0.815 | S | S | * | * | -145.6 | 141.6 | 111.7 | 36.9 | -22.3 | 0 | 0 | 0 | 117 | |||||
| 519 | A | 31.3 | Very low | 34.8 | Very low | 79 Ų | 79 | 130.3 Ų | 130.3 | 65% | 0.653 | 81% | 0.811 | S | S | * | * | trans | 40.3 | 118.8 | 132 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 520 | I | 33.9 | Very low | 34.6 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | 64.4 | 116 | 126.4 | -51.1 | 164.7 | 0 | 0 | 0 | 119.9 | |||||
| 521 | K | 33.2 | Very low | 34.5 | Very low | 206 Ų | 206 | 138.3 Ų | 138.3 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | -166.9 | 148.2 | 117.5 | -105 | 168.9 | -170.2 | 175.5 | 0 | 114.8 | |||||
| 522 | K | 37.7 | Very low | 35.2 | Very low | 195 Ų | 195 | 133.7 Ų | 133.7 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -64.1 | 170.3 | -171 | -55.7 | 171.8 | 170.5 | 175.7 | 0 | 115.1 | ||||
| 523 | P | 42.1 | Very low | 35.1 | Very low | 116 Ų | 116 | 128 Ų | 128 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | -136.6 | 168.4 | 86.3 | 40 | -29 | 0 | 0 | 0 | 116.5 | |||||
| 524 | S | 33.1 | Very low | 35.2 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 30.4 | 137.7 | 155.2 | 56 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 525 | G | 28.5 | Very low | 34.8 | Very low | 80 Ų | 80 | 124.4 Ų | 124.4 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | cis | 141.4 | 107.4 | -6.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 526 | G | 29.4 | Very low | 34.5 | Very low | 81 Ų | 81 | 121.9 Ų | 121.9 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | 95.1 | 146.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 527 | S | 31.5 | Very low | 34.5 | Very low | 107 Ų | 107 | 129.1 Ų | 129.1 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | cis | -159.8 | 150.8 | -13.2 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 528 | S | 33 | Very low | 34.3 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | 51.8 | 147 | 154.7 | 50.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 529 | S | 34.8 | Very low | 33.8 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | cis | -172.5 | 149 | -21.8 | 49.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 530 | K | 33.7 | Very low | 33.9 | Very low | 203 Ų | 203 | 138.8 Ų | 138.8 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | trans | 44.5 | 115.5 | 154.2 | -64.9 | 179.3 | 177.4 | 178.2 | 0 | 122.5 | ||||
| 531 | K | 32.1 | Very low | 33.9 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | 11 | 163.3 | 115.4 | -85.7 | -166.5 | 173.1 | -176.3 | 0 | 120.1 | |||||
| 532 | P | 50.8 | Low | 34.7 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | cis | -148.8 | -174.1 | -28.4 | 42.7 | -23.3 | 0 | 0 | 0 | 116.6 | ||||
| 533 | A | 29.8 | Very low | 34.5 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | trans | 78 | 122 | 139.2 | 0 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 534 | A | 34.2 | Very low | 34.2 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | 71.1 | 146.4 | 128.1 | 0 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 535 | S | 31.2 | Very low | 34.3 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | 68.2 | 158.5 | 177 | 79.2 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 536 | G | 30.9 | Very low | 34.4 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | cis | -162.8 | -179.1 | 0.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 537 | R | 34.9 | Very low | 34.8 | Very low | 246 Ų | 246 | 142.7 Ų | 142.7 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -76.5 | 146.2 | -173.6 | -58.3 | 169.8 | 172.8 | 175.9 | -4.2 | 114.1 | ||||
| 538 | K | 32.2 | Very low | 34.9 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | -174.2 | -178.4 | 107.5 | -125.7 | -175.9 | 172.5 | -178.4 | 0 | 115.3 | |||||
| 539 | E | 32.1 | Very low | 35.2 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | trans | -100.9 | 158.3 | -166.3 | -42.7 | 139.1 | 85.8 | 0 | 0 | 114.4 | ||||
| 540 | V | 33.6 | Very low | 35.3 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 93% | 0.927 | 82% | 0.819 | S | S | * | * | trans | -144.2 | 159.7 | 145.8 | 179 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 541 | K | 34 | Very low | 35.5 | Very low | 196 Ų | 196 | 146.9 Ų | 146.9 | 85% | 0.852 | 82% | 0.816 | S | S | * | * | trans | -85.5 | 170.9 | -166.8 | -87.9 | 178.4 | 177.4 | 174.5 | 0 | 117.1 | ||||
| 542 | P | 50 | Low | 36.1 | Very low | 124 Ų | 124 | 147 Ų | 147 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | trans | -106.9 | 173.9 | -170.2 | 41.9 | -37 | 0 | 0 | 0 | 116.5 | ||||
| 543 | S | 33.4 | Very low | 35.7 | Very low | 122 Ų | 122 | 147 Ų | 147 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -159.1 | 164.9 | 162.5 | 68 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 544 | A | 34.5 | Very low | 36.4 | Very low | 83 Ų | 83 | 150.9 Ų | 150.9 | 69% | 0.686 | 83% | 0.827 | S | S | * | * | cis | -166.5 | 164.3 | -32.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 545 | K | 34.9 | Very low | 37 | Very low | 219 Ų | 219 | 158.4 Ų | 158.4 | 95% | 0.952 | 84% | 0.836 | S | S | * | * | trans | 71.7 | 141 | 177.7 | -50 | 168.6 | -177.8 | 171.5 | 0 | 115.4 | ||||
| 546 | G | 32.2 | Very low | 37.7 | Very low | 69 Ų | 69 | 156.3 Ų | 156.3 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | cis | 162.3 | 154.8 | -14.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 547 | K | 37.5 | Very low | 38.4 | Very low | 218 Ų | 218 | 162.6 Ų | 162.6 | 95% | 0.948 | 83% | 0.832 | S | S | * | * | trans | 69.1 | 159.4 | 170.5 | -62.2 | -179.5 | 179.2 | -179.3 | 0 | 117.6 | ||||
| 548 | S | 33.8 | Very low | 38.8 | Very low | 99 Ų | 99 | 164.2 Ų | 164.2 | 69% | 0.692 | 85% | 0.846 | S | S | * | * | cis | 177.8 | 118.6 | -35.7 | 168 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 549 | T | 38.7 | Very low | 39.1 | Very low | 150 Ų | 150 | 162.9 Ų | 162.9 | 92% | 0.92 | 85% | 0.847 | S | S | * | * | trans | -147.7 | 153.6 | 150.5 | 30.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 550 | M | 37 | Very low | 39.5 | Very low | 149 Ų | 149 | 163.2 Ų | 163.2 | 73% | 0.734 | 85% | 0.853 | S | S | * | * | trans | -129.3 | 149.1 | -162.9 | -102.9 | -159.1 | -173 | 0 | 0 | 114.1 | ||||
| 551 | R | 37.6 | Very low | 39.8 | Very low | 215 Ų | 215 | 163.7 Ų | 163.7 | 81% | 0.811 | 85% | 0.849 | S | S | * | * | trans | 46.4 | 126.2 | 141.5 | -65.2 | 176.1 | 167.6 | 178.1 | -6.5 | 119 | ||||
| 552 | K | 45 | Very low | 40.2 | Very low | 198 Ų | 198 | 161.8 Ų | 161.8 | 86% | 0.861 | 85% | 0.849 | S | S | * | * | -157.8 | 141.2 | 94.5 | -114.8 | 170.9 | -178.4 | 174.2 | 0 | 112.6 | |||||
| 553 | S | 42.2 | Very low | 39.6 | Very low | 111 Ų | 111 | 164.2 Ų | 164.2 | 78% | 0.776 | 85% | 0.851 | S | S | * | * | trans | -118.5 | 148.4 | 158.9 | 60.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 554 | L | 44.6 | Very low | 40 | Very low | 170 Ų | 170 | 167 Ų | 167 | 89% | 0.89 | 85% | 0.851 | S | S | * | * | trans | -142.1 | 125.5 | 164.7 | -82.7 | 178.7 | 0 | 0 | 0 | 109.5 | ||||
| 555 | R | 46.1 | Very low | 40.4 | Very low | 248 Ų | 248 | 173 Ų | 173 | 94% | 0.936 | 86% | 0.863 | S | S | * | * | trans | -139.7 | 107 | 169.9 | 175.1 | -162.7 | 178 | -157.8 | 0.4 | 107.4 | ||||
| 556 | A | 45.8 | Very low | 40.8 | Very low | 88 Ų | 88 | 169.5 Ų | 169.5 | 73% | 0.727 | 86% | 0.856 | S | S | * | * | trans | -163.4 | 134.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 557 | K | 46.5 | Very low | 41.5 | Very low | 207 Ų | 207 | 177.8 Ų | 177.8 | 90% | 0.9 | 87% | 0.868 | S | S | * | * | trans | 39.3 | 119.8 | 143.2 | -60.1 | 180 | 176.6 | -177.3 | 0 | 119 | ||||
| 558 | K | 43.2 | Very low | 41.9 | Very low | 281 Ų | 281 | 174.2 Ų | 174.2 | 100% | 1.222 | 86% | 0.861 | S | S | * | * | -129.6 | 0 | 87.5 | -152.3 | 168.4 | -174.2 | 178.3 | 0 | 109.6 |
Retrieved 558 of 558 residues in 526.8 ms
(Link to these results)