| 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 | 37.1 | Very low | 38.5 | Very low | 233 Ų | 233 | 164.9 Ų | 164.9 | 100% | 1.148 | 82% | 0.824 | S | S | * | * | 0 | 117.1 | 0 | -65.2 | 174.3 | 178.3 | 0 | 0 | 107.4 | |||||
| 2 | D | 36.8 | Very low | 38 | Very low | 123 Ų | 123 | 164.3 Ų | 164.3 | 66% | 0.658 | 83% | 0.825 | S | S | * | * | cis | -153 | 136 | -11.4 | -93.1 | -71.6 | 0 | 0 | 0 | 105.7 | ||||
| 3 | L | 47 | Very low | 37.6 | Very low | 132 Ų | 132 | 159.7 Ų | 159.7 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | 76 | 161.7 | 81.8 | -126.4 | 168.8 | 0 | 0 | 0 | 113.1 | |||||
| 4 | H | 40.7 | Very low | 37.2 | Very low | 162 Ų | 162 | 155.2 Ų | 155.2 | 75% | 0.75 | 81% | 0.808 | S | S | * | * | trans | 74.5 | 111.1 | -173.9 | -52.5 | -84 | 0 | 0 | 0 | 114.5 | ||||
| 5 | R | 43 | Very low | 36.9 | Very low | 234 Ų | 234 | 159.9 Ų | 159.9 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | cis | 56.4 | 98.2 | 26.4 | -173.4 | -168.8 | -100.1 | 178.6 | -3.9 | 114.2 | ||||
| 6 | A | 33.7 | Very low | 37.4 | Very low | 91 Ų | 91 | 159.3 Ų | 159.3 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -158.7 | 139.3 | 134 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 7 | A | 42.9 | Very low | 37.9 | Very low | 94 Ų | 94 | 157.1 Ų | 157.1 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | -107.1 | 150 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 8 | F | 32.2 | Very low | 37.7 | Very low | 208 Ų | 208 | 157.2 Ų | 157.2 | 91% | 0.912 | 81% | 0.812 | S | S | * | * | trans | -139.2 | 138 | 164.7 | -92.5 | -79.9 | 0 | 0 | 0 | 111.6 | ||||
| 9 | K | 41.5 | Very low | 38.7 | Very low | 196 Ų | 196 | 153.9 Ų | 153.9 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | trans | -93.3 | 147.8 | 176.3 | -69.3 | 175.3 | 167.2 | -175.3 | 0 | 111.2 | ||||
| 10 | M | 34.1 | Very low | 38.4 | Very low | 172 Ų | 172 | 154.4 Ų | 154.4 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | trans | -178 | 118.5 | 132.7 | -115 | 164.5 | -94.5 | 0 | 0 | 105.9 | ||||
| 11 | E | 34.2 | Very low | 38.1 | Very low | 169 Ų | 169 | 151.6 Ų | 151.6 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | 83.2 | 135.3 | 60.2 | -163.8 | 171.4 | -166.7 | 0 | 0 | 114.1 | |||||
| 12 | N | 32.3 | Very low | 38.4 | Very low | 157 Ų | 157 | 146.2 Ų | 146.2 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | 78.7 | 136.7 | 175.7 | -86.1 | -34.1 | 0 | 0 | 0 | 121.6 | ||||
| 13 | S | 33.4 | Very low | 39 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -117.8 | 152.8 | -180 | 169.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 14 | S | 32.5 | Very low | 38.6 | Very low | 97 Ų | 97 | 144 Ų | 144 | 68% | 0.678 | 80% | 0.798 | S | S | * | * | 167.2 | 121.5 | 129.1 | -74.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 15 | Y | 32.5 | Very low | 38.8 | Very low | 225 Ų | 225 | 144.3 Ų | 144.3 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | 162.7 | 147 | 120.4 | -103.2 | -88.8 | 0 | 0 | 0 | 112.3 | |||||
| 16 | L | 44.8 | Very low | 38.7 | Very low | 150 Ų | 150 | 141.7 Ų | 141.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -83.3 | 162.8 | -168.9 | -57.7 | 167.7 | 0 | 0 | 0 | 113.6 | ||||
| 17 | P | 45.8 | Very low | 38.9 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -136.2 | 126.1 | 150.6 | 36.1 | -22.2 | 0 | 0 | 0 | 115.2 | ||||
| 18 | N | 33.6 | Very low | 38.7 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | -178.9 | 168.6 | 134.6 | -119.6 | 1.1 | 0 | 0 | 0 | 109.8 | ||||
| 19 | P | 56.5 | Low | 38.7 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 62% | 0.623 | 80% | 0.803 | S | S | * | * | cis | -135.7 | -177 | -0 | 28.3 | -4 | 0 | 0 | 0 | 116.2 | ||||
| 20 | L | 33.7 | Very low | 38.5 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | 111 | 146.4 | 146.5 | -59.2 | -179.7 | 0 | 0 | 0 | 119.9 | ||||
| 21 | A | 32.8 | Very low | 38.6 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | 77.5 | 130.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 22 | S | 42.4 | Very low | 38.8 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | -70 | 155.7 | 167.1 | -46 | 0 | 0 | 0 | 0 | 112 | ||||
| 23 | P | 48.7 | Very low | 38.8 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | trans | -110.7 | 125.5 | 155.3 | 18.3 | 0.1 | 0 | 0 | 0 | 111.7 | ||||
| 24 | A | 39.2 | Very low | 38.7 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 148.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 25 | L | 45.2 | Very low | 38.6 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 135.4 | 175.3 | -70.4 | -179.3 | 0 | 0 | 0 | 111.8 | ||
| 26 | M | 39.8 | Very low | 38.8 | Very low | 178 Ų | 178 | 134 Ų | 134 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 157.7 | -174.6 | -73.3 | 172.6 | -80.3 | 0 | 0 | 112.6 | ||
| 27 | V | 39.8 | Very low | 38.1 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 136 | 165.1 | 176 | 0 | 0 | 0 | 0 | 110.4 | ||
| 28 | L | 36.8 | Very low | 37.4 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 88% | 0.88 | 81% | 0.812 | S | S | * | * | trans | -125.6 | 118.7 | 156.7 | -71.8 | 177.1 | 0 | 0 | 0 | 109.2 | ||||
| 29 | A | 34.3 | Very low | 37.3 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | -80.7 | 150.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 30 | S | 36.3 | Very low | 36.3 | Very low | 124 Ų | 124 | 134.7 Ų | 134.7 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | trans | -146.1 | 123.3 | 163.9 | -79.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 31 | T | 37.2 | Very low | 36.7 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -86.4 | 140.6 | 172.2 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 32 | A | 36.8 | Very low | 36.6 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -151.7 | 143.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 33 | E | 33.1 | Very low | 36 | Very low | 195 Ų | 195 | 136 Ų | 136 | 91% | 0.911 | 81% | 0.814 | S | S | * | * | trans | -104.8 | -177.2 | -175.8 | -57.8 | -162 | 127.2 | 0 | 0 | 113.1 | ||||
| 34 | A | 31.8 | Very low | 35.4 | Very low | 86 Ų | 86 | 137.4 Ų | 137.4 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | 92.3 | 86.3 | 148.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 35 | S | 29 | Very low | 35.8 | Very low | 94 Ų | 94 | 139.2 Ų | 139.2 | 66% | 0.657 | 82% | 0.815 | S | S | * | * | 73.9 | 148 | 111.4 | 86.9 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 36 | R | 37 | Very low | 35.3 | Very low | 219 Ų | 219 | 141.4 Ų | 141.4 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | 78.8 | 109.8 | 152.4 | -72.7 | 165.4 | 176.1 | 175 | -0.7 | 116.6 | ||||
| 37 | D | 30.1 | Very low | 36 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | 85.4 | 105 | 74.5 | -95.4 | -43.3 | 0 | 0 | 0 | 112.6 | |||||
| 38 | A | 32 | Very low | 35.7 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -172.2 | 117.1 | 146.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 39 | S | 31.9 | Very low | 35.5 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -107.7 | 155.2 | 159 | 51.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 40 | I | 34.8 | Very low | 35.4 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | 165.4 | 143.9 | 150.3 | -83.7 | -91.8 | 0 | 0 | 0 | 108.9 | ||||
| 41 | P | 42.9 | Very low | 36.2 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -114.9 | 170 | -167.2 | 41.2 | -32 | 0 | 0 | 0 | 116 | ||||
| 42 | C | 29.5 | Very low | 36 | Very low | 122 Ų | 122 | 137 Ų | 137 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -146.8 | 123.4 | 160.9 | -93.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 43 | Q | 31 | Very low | 35.8 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | 102.7 | 141.7 | 62.2 | -85.5 | -69.2 | 0.6 | 0 | 0 | 111.8 | |||||
| 44 | Q | 35.1 | Very low | 35.9 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 67% | 0.673 | 78% | 0.775 | S | S | * | * | trans | -86.4 | 179.4 | -165 | -56.5 | -179.6 | -51.4 | 0 | 0 | 114.1 | ||||
| 45 | P | 47.9 | Very low | 35.9 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | -134.5 | 175.8 | 96.9 | 18.2 | 3.4 | 0 | 0 | 0 | 116.7 | |||||
| 46 | R | 35.5 | Very low | 36.3 | Very low | 215 Ų | 215 | 138.5 Ų | 138.5 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -98.1 | -156.2 | -167.8 | -38.4 | 179.8 | -177.9 | -168.2 | 1.1 | 111.9 | ||||
| 47 | P | 53.5 | Low | 36.2 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 62% | 0.617 | 77% | 0.769 | S | S | * | * | cis | -125.4 | 172.3 | -17.8 | 24.1 | 0.8 | 0 | 0 | 0 | 113.2 | ||||
| 48 | F | 33.1 | Very low | 36.5 | Very low | 204 Ų | 204 | 133.7 Ų | 133.7 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | cis | -140.3 | -167.1 | 38.6 | -73.1 | -93.4 | 0 | 0 | 0 | 111 | ||||
| 49 | G | 33.6 | Very low | 36.5 | Very low | 66 Ų | 66 | 137.2 Ų | 137.2 | 68% | 0.68 | 77% | 0.766 | S | S | * | * | cis | -165.7 | -164.3 | 8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 50 | V | 32.4 | Very low | 36.8 | Very low | 135 Ų | 135 | 137 Ų | 137 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | -150.1 | 160.8 | -166.7 | 177.7 | 0 | 0 | 0 | 0 | 109.1 | V52 | V50-V52 HydrophobicContact CG1-CG2 4.45Š| ||
| 51 | P | 51.9 | Low | 37.5 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | cis | -122.8 | 148.6 | 10.7 | 6.3 | 21.8 | 0 | 0 | 0 | 117.8 | ||||
| 52 | V | 33.4 | Very low | 37 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | 78.3 | 117.6 | 91.8 | 178.2 | 0 | 0 | 0 | 0 | 116.9 | V50 | V50-V52 HydrophobicContact CG1-CG2 4.45Š| |||
| 53 | S | 33 | Very low | 37.2 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | -172.5 | 156.1 | 118.7 | -153.9 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 54 | V | 34.2 | Very low | 37.2 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | -48 | 173.6 | -176.7 | -52.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 55 | D | 32.8 | Very low | 37 | Very low | 120 Ų | 120 | 132 Ų | 132 | 64% | 0.642 | 75% | 0.745 | S | S | * | * | cis | -163.5 | 168.9 | 12.8 | -154.4 | -167.1 | 0 | 0 | 0 | 111.7 | ||||
| 56 | K | 36.1 | Very low | 36.3 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | trans | 65.2 | 126.2 | 160.4 | -100.8 | 76.1 | 179.1 | -172.2 | 0 | 124.9 | ||||
| 57 | D | 35.3 | Very low | 36.1 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | -25.8 | 155.7 | 143 | -48.5 | -93.5 | 0 | 0 | 0 | 117.2 | ||||
| 58 | V | 36.9 | Very low | 35.2 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | -166.2 | 121.3 | 68.8 | 161.4 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 59 | H | 32.4 | Very low | 35.3 | Very low | 179 Ų | 179 | 132.7 Ų | 132.7 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | 54.1 | 134.2 | 135.4 | -130.6 | -86.5 | 0 | 0 | 0 | 125.4 | ||||
| 60 | I | 38.5 | Very low | 35.2 | Very low | 109 Ų | 109 | 134 Ų | 134 | 56% | 0.559 | 76% | 0.756 | S | S | * | * | trans | -81.2 | 166.1 | 172.1 | -22.3 | 177.9 | 0 | 0 | 0 | 111.2 | F62 | I60-F62 HydrophobicContact CD1-CE2 4.37Š| ||
| 61 | P | 49.3 | Very low | 35.3 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | -135.9 | 145 | 88.5 | 12.1 | 11.8 | 0 | 0 | 0 | 113.6 | |||||
| 62 | F | 32.3 | Very low | 34.5 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | 58.6 | 139.2 | 81.4 | -67.2 | -62.8 | 0 | 0 | 0 | 114.2 | I60 | I60-F62 HydrophobicContact CD1-CE2 4.37Š| |||
| 63 | T | 33.1 | Very low | 34.8 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | cis | -164 | 160.8 | 13.6 | -2.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 64 | N | 30.5 | Very low | 34.8 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | 35.9 | 143.5 | 143.4 | -62.2 | -3.7 | 0 | 0 | 0 | 123.2 | ||||
| 65 | G | 32.3 | Very low | 34.7 | Very low | 69 Ų | 69 | 147.8 Ų | 147.8 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 167.7 | 56.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 66 | S | 31.7 | Very low | 34.6 | Very low | 114 Ų | 114 | 150.3 Ų | 150.3 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | 26.8 | 123 | 143.4 | 54.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 67 | Y | 31 | Very low | 34.4 | Very low | 220 Ų | 220 | 147 Ų | 147 | 86% | 0.863 | 79% | 0.788 | S | S | * | * | 68.4 | 114.1 | 124.6 | -145.5 | -112.7 | 0 | 0 | 0 | 120.6 | |||||
| 68 | T | 36.2 | Very low | 34.1 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | 170.6 | 164.5 | 117.3 | 33.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 69 | F | 34.1 | Very low | 34.2 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -106.1 | 139.7 | -174.9 | 164.7 | -79.4 | 0 | 0 | 0 | 111.5 | ||||
| 70 | A | 31.5 | Very low | 34.6 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -178.9 | 146.6 | 143.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 71 | S | 36 | Very low | 34.3 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | -73.8 | 154.5 | 175.1 | -45.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 72 | M | 34.2 | Very low | 33.6 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | trans | -158.8 | 142.9 | 139.8 | -93.9 | -47.1 | -163 | 0 | 0 | 111.9 | ||||
| 73 | Y | 39.1 | Very low | 33.6 | Very low | 229 Ų | 229 | 142 Ų | 142 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | -81.4 | 132.3 | 167.6 | -79.8 | -103.5 | 0 | 0 | 0 | 110.6 | ||||
| 74 | H | 32.8 | Very low | 33.8 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -152.5 | 162.1 | 145.6 | -146.9 | 65.9 | 0 | 0 | 0 | 114.6 | ||||
| 75 | R | 32.3 | Very low | 34 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 73% | 0.725 | 80% | 0.801 | S | S | * | * | trans | -81.6 | 165 | -175.7 | -79.4 | -175.9 | 170.7 | -87.8 | 3.4 | 114.1 | ||||
| 76 | Q | 31.7 | Very low | 34.4 | Very low | 173 Ų | 173 | 145.6 Ų | 145.6 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | 62 | 110.4 | 142.8 | -82.4 | 174 | -22.3 | 0 | 0 | 119.4 | ||||
| 77 | G | 31.3 | Very low | 34.3 | Very low | 88 Ų | 88 | 146 Ų | 146 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | 86.7 | 125.8 | 108.7 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 78 | G | 29.1 | Very low | 34.3 | Very low | 79 Ų | 79 | 144.7 Ų | 144.7 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 147.9 | 90.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 79 | V | 38.9 | Very low | 34.8 | Very low | 143 Ų | 143 | 144 Ų | 144 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -136.6 | 134.8 | 150 | -117 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 80 | P | 40 | Very low | 35.6 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -83.4 | 151.7 | -166.6 | 33.6 | -34.8 | 0 | 0 | 0 | 111.9 | ||||
| 81 | G | 34 | Very low | 35.8 | Very low | 72 Ų | 72 | 140.2 Ų | 140.2 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -95.8 | 157.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 82 | T | 34.2 | Very low | 35.8 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | trans | -140.3 | 95.9 | 164.6 | 50.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 83 | F | 31.8 | Very low | 35.8 | Very low | 201 Ų | 201 | 140.4 Ų | 140.4 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | trans | 63.9 | 154.6 | 155.4 | -43.6 | -70.8 | 0 | 0 | 0 | 120.9 | ||||
| 84 | A | 36.3 | Very low | 35.5 | Very low | 72 Ų | 72 | 137.4 Ų | 137.4 | 60% | 0.595 | 77% | 0.771 | S | S | * | * | cis | -173.2 | 150.4 | -37.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 85 | N | 35.9 | Very low | 35.5 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | 70.1 | 137.9 | 151.1 | -72.7 | -37.2 | 0 | 0 | 0 | 118 | ||||
| 86 | R | 39.3 | Very low | 35.4 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | cis | -170 | 175.5 | -1.4 | -137.2 | 171 | -179.8 | -111.3 | 8.7 | 115.1 | ||||
| 87 | D | 30.9 | Very low | 36.4 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | trans | 88.3 | 92.3 | 149.2 | -60.2 | -35.8 | 0 | 0 | 0 | 120.4 | ||||
| 88 | F | 30.1 | Very low | 36.6 | Very low | 193 Ų | 193 | 133.4 Ų | 133.4 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | trans | -61.1 | 178.1 | 144.8 | -83 | -84.8 | 0 | 0 | 0 | 111.2 | ||||
| 89 | P | 46.7 | Very low | 36.7 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | cis | -152.3 | -151.9 | 37.3 | 50 | -25.3 | 0 | 0 | 0 | 115.1 | ||||
| 90 | P | 50.6 | Low | 36.5 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 66% | 0.656 | 75% | 0.745 | S | S | * | * | -142.2 | -167.3 | -109.9 | 40.9 | -16.5 | 0 | 0 | 0 | 117.3 | |||||
| 91 | S | 35.8 | Very low | 37.6 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | 76.1 | 132.1 | 149.9 | -59.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 92 | L | 35.8 | Very low | 38.5 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | -174.7 | 141.5 | 102.9 | -100.1 | 176.9 | 0 | 0 | 0 | 115.7 | |||||
| 93 | L | 34.8 | Very low | 38.4 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | 80 | 98.8 | 157.7 | -57.4 | 174.8 | 0 | 0 | 0 | 122.8 | ||||
| 94 | H | 34.2 | Very low | 38.7 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | 23.7 | 144.4 | 105.5 | -59.5 | 106.4 | 0 | 0 | 0 | 119.4 | |||||
| 95 | L | 31.3 | Very low | 38.6 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 88% | 0.88 | 74% | 0.743 | S | S | * | * | cis | -161.7 | -165.3 | 35.7 | -126.1 | 150.2 | 0 | 0 | 0 | 113.7 | ||||
| 96 | H | 30.1 | Very low | 38.2 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | trans | -109.1 | 157 | -146.1 | -172.4 | -81.4 | 0 | 0 | 0 | 117.7 | ||||
| 97 | P | 53.9 | Low | 38 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | trans | -85.4 | 174.4 | 179.6 | 35.6 | -41.7 | 0 | 0 | 0 | 117.1 | ||||
| 98 | Q | 35 | Very low | 39 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | -151 | 164.7 | 162.9 | -52.3 | -64.2 | -13.1 | 0 | 0 | 107 | ||||
| 99 | F | 31.2 | Very low | 39.2 | Very low | 192 Ų | 192 | 134.4 Ų | 134.4 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | cis | -143.4 | 172.8 | 1.3 | -86.9 | -65.2 | 0 | 0 | 0 | 109.3 | ||||
| 100 | A | 34.7 | Very low | 38.5 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | -157.2 | -163.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 101 | P | 62.9 | Low | 37.8 | Very low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | -106.1 | -154.3 | -82.5 | 36.7 | -19.7 | 0 | 0 | 0 | 111.4 | |||||
| 102 | P | 53.6 | Low | 37.9 | Very low | 105 Ų | 105 | 138 Ų | 138 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | -159.6 | 150.5 | 78.7 | 38.5 | -15.8 | 0 | 0 | 0 | 120.9 | |||||
| 103 | N | 31 | Very low | 37.7 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | 54.3 | 154.1 | 143.1 | -56.2 | -40.1 | 0 | 0 | 0 | 121.9 | ||||
| 104 | L | 37.8 | Very low | 37.8 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | cis | -146 | 151.9 | 29.5 | -78.8 | 163.3 | 0 | 0 | 0 | 115.4 | ||||
| 105 | D | 34.2 | Very low | 37.7 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | 52.4 | 119.2 | 143.1 | -56 | -23.2 | 0 | 0 | 0 | 125.5 | ||||
| 106 | C | 28.5 | Very low | 37.8 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 86% | 0.858 | 77% | 0.766 | S | S | * | * | -173.7 | 143.5 | 111.6 | -92.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 107 | T | 34 | Very low | 38.2 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -147.7 | -179.3 | 174.1 | 59.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 108 | P | 52.1 | Low | 37.1 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | -129.2 | 165.3 | -73.8 | 39.4 | -24.4 | 0 | 0 | 0 | 113.4 | |||||
| 109 | I | 35.8 | Very low | 37.1 | Very low | 172 Ų | 172 | 128.6 Ų | 128.6 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | -137.6 | 134.6 | 160.6 | -62 | -174.8 | 0 | 0 | 0 | 110.7 | ||||
| 110 | S | 31.4 | Very low | 37.3 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -62.5 | 168.9 | 177.4 | -50.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 111 | M | 35.3 | Very low | 37.7 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | -170.2 | 157.1 | 119.5 | -93.3 | -57 | -91.6 | 0 | 0 | 111.3 | |||||
| 112 | L | 37.7 | Very low | 36.4 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | trans | -64 | 156.3 | -153.3 | -75.8 | 71.4 | 0 | 0 | 0 | 119.8 | ||||
| 113 | N | 31.5 | Very low | 35.3 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -69.4 | 145.7 | 154.3 | -72.1 | -40.7 | 0 | 0 | 0 | 112.2 | ||||
| 114 | H | 37.8 | Very low | 35.2 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 80% | 0.801 | 81% | 0.809 | S | S | * | * | trans | -137.8 | 110.9 | 154.6 | -71.3 | -65.6 | 0 | 0 | 0 | 111.3 | ||||
| 115 | S | 30.9 | Very low | 34.8 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | trans | -94.3 | 137.8 | 161.2 | -60.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 116 | G | 33.5 | Very low | 34.5 | Very low | 73 Ų | 73 | 137.7 Ų | 137.7 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | 176.4 | 76 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 117 | V | 39 | Very low | 35 | Very low | 136 Ų | 136 | 140.3 Ų | 140.3 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | 42.7 | 100.7 | 143.3 | -166.6 | 0 | 0 | 0 | 0 | 118.4 | A119 | V117-A119 HydrophobicContact CG1-CB 4.16Š| ||
| 118 | G | 31.1 | Very low | 35 | Very low | 85 Ų | 85 | 139.7 Ų | 139.7 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | -86.1 | 128.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 119 | A | 34.4 | Very low | 34.3 | Very low | 71 Ų | 71 | 143.4 Ų | 143.4 | 59% | 0.587 | 80% | 0.804 | S | S | * | * | trans | -133.3 | 70.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V117 | V117-A119 HydrophobicContact CG1-CB 4.16Š| ||
| 120 | F | 35.8 | Very low | 34.1 | Very low | 211 Ų | 211 | 142 Ų | 142 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -142.7 | 121.1 | 162.4 | -71.2 | -71.9 | 0 | 0 | 0 | 110.9 | ||||
| 121 | R | 44.2 | Very low | 34.5 | Very low | 232 Ų | 232 | 142 Ų | 142 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 137 | 166.5 | -74.8 | -179.2 | 172.5 | -116.6 | -0.2 | 108.6 | ||
| 122 | P | 35 | Very low | 34.4 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 139.9 | 169.2 | -15.6 | 30.5 | 0 | 0 | 0 | 111 | ||
| 123 | F | 30.4 | Very low | 34.6 | Very low | 203 Ų | 203 | 148.4 Ų | 148.4 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 138.8 | 166.1 | -80.5 | -89.5 | 0 | 0 | 0 | 110 | ||
| 124 | A | 29.7 | Very low | 35.1 | Very low | 104 Ų | 104 | 146.5 Ų | 146.5 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 146.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 125 | S | 27.6 | Very low | 35.3 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -135 | 140.7 | 174.4 | -172.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 126 | T | 29.8 | Very low | 36.2 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -122.2 | 130.1 | 175.7 | 48.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 127 | E | 37.7 | Very low | 36.7 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | 23.3 | 138.1 | 152.4 | -61.9 | 169.9 | 142.5 | 0 | 0 | 119 | ||||
| 128 | D | 34.9 | Very low | 36.7 | Very low | 126 Ų | 126 | 148 Ų | 148 | 67% | 0.674 | 81% | 0.806 | S | S | * | * | cis | -167.7 | 156.7 | 26 | -151.4 | -14.7 | 0 | 0 | 0 | 112.1 | ||||
| 129 | R | 35.9 | Very low | 36.9 | Very low | 192 Ų | 192 | 148.8 Ų | 148.8 | 73% | 0.725 | 80% | 0.804 | S | S | * | * | trans | 50.9 | 155.2 | 160 | -84.5 | 153.4 | 58.5 | -174.3 | -6.1 | 121.2 | ||||
| 130 | E | 32.6 | Very low | 37.4 | Very low | 144 Ų | 144 | 155 Ų | 155 | 67% | 0.673 | 82% | 0.818 | S | S | * | * | cis | -135.4 | 152.9 | 6.8 | -96.9 | 101.9 | -164.3 | 0 | 0 | 113.2 | ||||
| 131 | S | 39.4 | Very low | 37.6 | Very low | 103 Ų | 103 | 156.9 Ų | 156.9 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | 53.6 | 95.9 | 144.7 | -175.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 132 | Y | 34.2 | Very low | 37.3 | Very low | 237 Ų | 237 | 153.1 Ų | 153.1 | 93% | 0.929 | 82% | 0.815 | S | S | * | * | trans | -138.6 | 137.3 | 140.3 | -95.6 | -86.1 | 0 | 0 | 0 | 111.1 | ||||
| 133 | Q | 40.3 | Very low | 37.5 | Very low | 191 Ų | 191 | 156.6 Ų | 156.6 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -83.8 | 131.9 | -176.5 | -68.9 | 174.9 | -22.7 | 0 | 0 | 111.8 | ||||
| 134 | S | 43.8 | Very low | 37.4 | Very low | 115 Ų | 115 | 153.1 Ų | 153.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -91.5 | 134 | 173.2 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | F136 | S134-F136 PolarHBondContact O-N 2.88Š| ||
| 135 | A | 40.4 | Very low | 37.3 | Very low | 87 Ų | 87 | 154.5 Ų | 154.5 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -91.2 | 11.9 | -159.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 136 | F | 50 | Low | 37.5 | Very low | 191 Ų | 191 | 157 Ų | 157 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -139.4 | 88 | -178.9 | -69.4 | -78.6 | 0 | 0 | 0 | 113.4 | S134 | S134-F136 PolarHBondContact O-N 2.88Š| ||
| 137 | T | 43.7 | Very low | 37.4 | Very low | 132 Ų | 132 | 158.2 Ų | 158.2 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -136.1 | 141.5 | 154 | 49 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 138 | P | 39.3 | Very low | 37.1 | Very low | 131 Ų | 131 | 154.6 Ų | 154.6 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 143.4 | -177.8 | -16.1 | 31.5 | 0 | 0 | 0 | 112.7 | ||
| 139 | A | 36 | Very low | 36.8 | Very low | 103 Ų | 103 | 157.3 Ų | 157.3 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 134.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 140 | K | 45.5 | Very low | 36.6 | Very low | 201 Ų | 201 | 153.6 Ų | 153.6 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 145.6 | 165.9 | -68.2 | 180 | 175.9 | 178.6 | 0 | 110.5 | ||
| 141 | R | 40.2 | Very low | 37 | Very low | 250 Ų | 250 | 152.4 Ų | 152.4 | 94% | 0.943 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 143 | 150.3 | -77.5 | -164.9 | 88.2 | 157.2 | 5.6 | 110.4 | ||
| 142 | L | 37.9 | Very low | 36.6 | Very low | 153 Ų | 153 | 154.8 Ų | 154.8 | 80% | 0.801 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -84 | 149.1 | -176.5 | -65.5 | 154.4 | 0 | 0 | 0 | 111.7 | ||
| 143 | K | 38.2 | Very low | 36.4 | Very low | 202 Ų | 202 | 151.7 Ų | 151.7 | 88% | 0.878 | 82% | 0.816 | S | S | * | * | trans | -142.3 | 114.1 | 145.9 | -165.9 | 74.5 | 179.6 | -174.1 | 0 | 109.2 | ||||
| 144 | N | 27.7 | Very low | 35.8 | Very low | 130 Ų | 130 | 153.1 Ų | 153.1 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | trans | -75 | 134.4 | 172 | -65.8 | 30.3 | 0 | 0 | 0 | 109.8 | ||||
| 145 | C | 28.4 | Very low | 35 | Very low | 133 Ų | 133 | 157 Ų | 157 | 90% | 0.899 | 82% | 0.816 | S | S | * | * | trans | -139.8 | 132.1 | 134.9 | -84.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 146 | H | 32.1 | Very low | 34.5 | Very low | 173 Ų | 173 | 157.1 Ų | 157.1 | 80% | 0.801 | 81% | 0.811 | S | S | * | * | trans | -146.2 | 109.7 | -178.3 | -163.6 | -56.1 | 0 | 0 | 0 | 108.1 | ||||
| 147 | D | 27.7 | Very low | 33.4 | Very low | 146 Ų | 146 | 155.2 Ų | 155.2 | 78% | 0.781 | 81% | 0.81 | S | S | * | * | trans | 174 | 138.2 | 167.7 | -99.8 | -36.7 | 0 | 0 | 0 | 107.1 | ||||
| 148 | T | 32 | Very low | 33 | Very low | 106 Ų | 106 | 153.3 Ų | 153.3 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | cis | -155.9 | 161.4 | -22.1 | -17.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 149 | E | 27.4 | Very low | 32.7 | Very low | 183 Ų | 183 | 154.4 Ų | 154.4 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | 60.2 | 117.9 | 162.5 | -57.9 | -170.8 | 119.8 | 0 | 0 | 120.7 | ||||
| 150 | S | 31.9 | Very low | 32.4 | Very low | 114 Ų | 114 | 152.5 Ų | 152.5 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -79.3 | 155 | 147.8 | -65 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 151 | P | 41.7 | Very low | 31.9 | Very low | 119 Ų | 119 | 151 Ų | 151 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | -143.1 | 123.4 | 101.1 | 34 | -18.6 | 0 | 0 | 0 | 115.6 | |||||
| 152 | H | 30.6 | Very low | 31.4 | Very low | 154 Ų | 154 | 145 Ų | 145 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | 17.7 | 110.7 | 121.8 | -168.8 | -66.1 | 0 | 0 | 0 | 118.2 | |||||
| 153 | L | 28.8 | Very low | 30.9 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | trans | -140 | 144.7 | 149.3 | -86.2 | -172.1 | 0 | 0 | 0 | 113.3 | ||||
| 154 | R | 28.8 | Very low | 30.5 | Very low | 220 Ų | 220 | 144.9 Ų | 144.9 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -105.7 | 168.9 | 170.8 | -82.2 | -167.5 | 176.3 | -171.1 | 0.6 | 110.4 | ||||
| 155 | F | 26.4 | Very low | 30.5 | Very low | 198 Ų | 198 | 147.9 Ų | 147.9 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -41 | 150.8 | 174.5 | -83.7 | -102.5 | 0 | 0 | 0 | 118.9 | ||||
| 156 | S | 30.1 | Very low | 30.5 | Very low | 89 Ų | 89 | 144.7 Ų | 144.7 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | trans | 84.7 | 107.7 | 135.1 | -81.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 157 | D | 27.9 | Very low | 30.4 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | 103.4 | 146.9 | 110.1 | -87.4 | -60.7 | 0 | 0 | 0 | 123.9 | |||||
| 158 | A | 33.5 | Very low | 30.5 | Very low | 91 Ų | 91 | 143.4 Ų | 143.4 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | 82.9 | 105.6 | 150.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 159 | D | 33 | Very low | 30.5 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | 101.6 | 138.3 | 126.5 | -147.5 | -7.4 | 0 | 0 | 0 | 119.7 | |||||
| 160 | G | 31.1 | Very low | 31.1 | Very low | 62 Ų | 62 | 143 Ų | 143 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | trans | 140.5 | 55.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 161 | K | 35.4 | Very low | 30.9 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 49.8 | 142.7 | 134.6 | -62.3 | 179.9 | -178.7 | -165.8 | 0 | 120.3 | ||||
| 162 | E | 27.7 | Very low | 30.2 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 58% | 0.579 | 76% | 0.763 | S | S | * | * | cis | -169.5 | -180 | 18.6 | -116.3 | 160.4 | -152.7 | 0 | 0 | 109.9 | ||||
| 163 | Y | 29.1 | Very low | 30.4 | Very low | 209 Ų | 209 | 140 Ų | 140 | 82% | 0.82 | 77% | 0.767 | S | S | * | * | trans | 95.8 | 155.5 | 164.9 | -54.4 | -71 | 0 | 0 | 0 | 119.8 | ||||
| 164 | D | 28.3 | Very low | 31.2 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | -135.1 | -176 | -127.5 | -150.8 | -66.2 | 0 | 0 | 0 | 114.9 | |||||
| 165 | F | 28.4 | Very low | 31.1 | Very low | 192 Ų | 192 | 131 Ų | 131 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | trans | 76.9 | 126.3 | -176.4 | -66 | -93.9 | 0 | 0 | 0 | 115.5 | ||||
| 166 | G | 28.5 | Very low | 31.2 | Very low | 67 Ų | 67 | 126.9 Ų | 126.9 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | cis | 116.3 | 137.9 | 13.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 167 | T | 29.9 | Very low | 31.1 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | cis | -165.8 | 164.6 | 3.7 | -42.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 168 | Q | 29.3 | Very low | 31.1 | Very low | 172 Ų | 172 | 130.5 Ų | 130.5 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 85 | 119.5 | 160.3 | -48.8 | -63 | 6.2 | 0 | 0 | 121.8 | ||||
| 169 | L | 32.5 | Very low | 30.9 | Very low | 158 Ų | 158 | 133 Ų | 133 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | -93 | 165.1 | 142.4 | -68.5 | 165.7 | 0 | 0 | 0 | 108.3 | ||||
| 170 | P | 39.1 | Very low | 30.8 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | -156.7 | 154 | 94.1 | 38.9 | -19.2 | 0 | 0 | 0 | 118.4 | |||||
| 171 | S | 28.9 | Very low | 30.9 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | 28.7 | 139.7 | 132 | -162.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 172 | S | 27.1 | Very low | 31 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | 74.9 | 127.1 | 138.2 | 49.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 173 | S | 35.3 | Very low | 31.3 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -59.3 | 168 | 152.4 | -42.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 174 | P | 45.5 | Very low | 32.3 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | cis | -152.2 | 172.6 | 32.5 | 42.8 | -21.4 | 0 | 0 | 0 | 120 | ||||
| 175 | G | 26 | Very low | 32.8 | Very low | 76 Ų | 76 | 134.5 Ų | 134.5 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | 100.7 | 140.9 | 133.4 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 176 | S | 28.4 | Very low | 33.2 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 85.8 | 112.9 | 143.8 | -88.9 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 177 | L | 27.5 | Very low | 33.1 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | 84.1 | 119.9 | 124.1 | -68.3 | 171.7 | 0 | 0 | 0 | 124.6 | |||||
| 178 | K | 28.3 | Very low | 33.2 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | 76.5 | 126.9 | 139.6 | -66.9 | -179.3 | 178.6 | -168.6 | 0 | 122 | ||||
| 179 | V | 29.5 | Very low | 33.2 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | -170.7 | 155.5 | 105 | 145.2 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 180 | D | 31.7 | Very low | 33.3 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | -97.4 | 164.6 | -156.5 | -63.3 | -104.3 | 0 | 0 | 0 | 118.5 | ||||
| 181 | D | 32.9 | Very low | 32.7 | Very low | 150 Ų | 150 | 132 Ų | 132 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | 106 | 149.9 | 133.2 | -151.6 | -125.1 | 0 | 0 | 0 | 122.2 | ||||
| 182 | T | 36.6 | Very low | 33 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | 84.6 | 109.1 | -179.4 | -40.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 183 | G | 34.7 | Very low | 33.2 | Very low | 61 Ų | 61 | 136.1 Ų | 136.1 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | cis | 172.6 | 151.2 | -9.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 184 | K | 48.8 | Very low | 33 | Very low | 216 Ų | 216 | 135.8 Ų | 135.8 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | trans | 78.5 | 108 | 156.8 | -56.2 | 176.1 | -173.3 | 175 | 0 | 119.1 | ||||
| 185 | K | 39.3 | Very low | 32.3 | Very low | 193 Ų | 193 | 135.9 Ų | 135.9 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -63.7 | -179 | 157.8 | -59.9 | 171.8 | 176.7 | 173.3 | 0 | 109.4 | ||||
| 186 | I | 36.4 | Very low | 32.8 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | cis | -163 | 159.1 | 49.8 | -16.2 | 176.9 | 0 | 0 | 0 | 113.3 | ||||
| 187 | F | 28.2 | Very low | 33.1 | Very low | 202 Ų | 202 | 142.1 Ų | 142.1 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | trans | -61 | 162.7 | 170.8 | -79.8 | -120 | 0 | 0 | 0 | 114.4 | ||||
| 188 | A | 31.2 | Very low | 33.2 | Very low | 86 Ų | 86 | 139.8 Ų | 139.8 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | 167.6 | 137 | 99.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 189 | V | 30 | Very low | 33.1 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | 71.2 | 133.6 | 133.9 | 171.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 190 | S | 33.5 | Very low | 32.8 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -44.8 | 160.3 | 173.1 | -38.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 191 | G | 27.7 | Very low | 32.6 | Very low | 68 Ų | 68 | 134.4 Ų | 134.4 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | 176 | 83.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 192 | L | 34 | Very low | 33.2 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | 60.3 | 126.8 | 135.6 | -57.2 | -179.9 | 0 | 0 | 0 | 123.6 | ||||
| 193 | I | 31.1 | Very low | 33 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | trans | 69.4 | 142.5 | 130.5 | 75.8 | -172.8 | 0 | 0 | 0 | 124.8 | ||||
| 194 | S | 32.4 | Very low | 32.9 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | trans | 83.2 | 146.5 | 147.7 | -67.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 195 | D | 31 | Very low | 32.3 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | cis | -172.2 | 172.5 | -27.6 | -160 | -12.6 | 0 | 0 | 0 | 107.7 | ||||
| 196 | R | 35.5 | Very low | 31.9 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | trans | 84.1 | 110.1 | 136.8 | -139.8 | 73.8 | -171.7 | -179.2 | 12.3 | 123 | ||||
| 197 | E | 34.6 | Very low | 31.7 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 65% | 0.654 | 77% | 0.768 | S | S | * | * | trans | 73.5 | 103.6 | 135 | -72.4 | 172.4 | 156 | 0 | 0 | 124.4 | ||||
| 198 | A | 29.1 | Very low | 32 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | 51 | 117.7 | 102.1 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 199 | S | 26.4 | Very low | 32.3 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | 166.4 | 155.5 | 134.3 | 48 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 200 | S | 23.9 | Very low | 32.5 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | cis | 173.3 | 108.8 | -43.2 | 48.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 201 | S | 27.7 | Very low | 32.6 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | 58.8 | 176.3 | 158.8 | -115.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 202 | P | 45.3 | Very low | 32.8 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | cis | -128.6 | 169.2 | -15 | 39.5 | -24.7 | 0 | 0 | 0 | 113.9 | ||||
| 203 | E | 32.5 | Very low | 33 | Very low | 201 Ų | 201 | 145.8 Ų | 145.8 | 94% | 0.939 | 77% | 0.768 | S | S | * | * | -168.8 | 157.2 | 116.5 | -104.3 | -169.6 | 137.6 | 0 | 0 | 112.2 | |||||
| 204 | D | 32.3 | Very low | 33.2 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -103 | 144.8 | -157 | -172.9 | -99.8 | 0 | 0 | 0 | 112.8 | ||||
| 205 | R | 35.8 | Very low | 33.6 | Very low | 227 Ų | 227 | 143 Ų | 143 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | 170 | 93.3 | 125.9 | -89.7 | 163.9 | 179.7 | -162.7 | -4.7 | 116.4 | |||||
| 206 | N | 30.6 | Very low | 34.2 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | 58.1 | 125.8 | 128.6 | -147.8 | -25.2 | 0 | 0 | 0 | 122.6 | |||||
| 207 | D | 33.3 | Very low | 34.4 | Very low | 132 Ų | 132 | 146 Ų | 146 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -42.1 | 148.8 | 171 | -64.1 | -108.6 | 0 | 0 | 0 | 119.8 | ||||
| 208 | R | 33.8 | Very low | 34.8 | Very low | 235 Ų | 235 | 144.4 Ų | 144.4 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | -171.9 | 110.6 | 99.9 | -98.6 | 170.7 | -172 | -128.8 | 0.2 | 115.8 | |||||
| 209 | C | 38.3 | Very low | 35.7 | Very low | 93 Ų | 93 | 146.2 Ų | 146.2 | 63% | 0.628 | 80% | 0.795 | S | S | * | * | trans | 43.5 | 118 | 131.6 | -97.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 210 | K | 34.6 | Very low | 37.2 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | 103.8 | 115.8 | 121.2 | -76 | 165.1 | -179.3 | 154.1 | 0 | 121.4 | |||||
| 211 | K | 34 | Very low | 39.2 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | 78.1 | 103.4 | 128 | -67.5 | 175 | 177.1 | -172.8 | 0 | 119.4 | |||||
| 212 | K | 32.5 | Very low | 41.7 | Very low | 211 Ų | 211 | 141.3 Ų | 141.3 | 92% | 0.917 | 74% | 0.744 | S | S | * | * | 170.7 | 91 | 100.4 | -90 | 175.6 | -177.8 | -179.9 | 0 | 111.2 | |||||
| 213 | A | 37.6 | Very low | 43.7 | Very low | 107 Ų | 107 | 141 Ų | 141 | 88% | 0.884 | 74% | 0.736 | S | S | * | * | trans | -160.3 | 67.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 214 | A | 36.7 | Very low | 46.2 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | trans | -170.8 | 76.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 215 | A | 40.2 | Very low | 48.5 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 79% | 0.793 | 70% | 0.699 | S | S | * | * | trans | -147.2 | 42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 216 | L | 43.6 | Very low | 50.8 | Low | 172 Ų | 172 | 125.6 Ų | 125.6 | 90% | 0.901 | 68% | 0.683 | S | S | * | * | trans | -141.9 | 68 | 166 | -70.9 | 179.1 | 0 | 0 | 0 | 107.1 | ||||
| 217 | F | 40 | Very low | 53.4 | Low | 199 Ų | 199 | 121.4 Ų | 121.4 | 87% | 0.873 | 66% | 0.664 | S | S | * | * | trans | -116.1 | 123.7 | 164.7 | -105.8 | -83.4 | 0 | 0 | 0 | 108.7 | ||||
| 218 | D | 42.6 | Very low | 55.8 | Low | 107 Ų | 107 | 122.8 Ų | 122.8 | 57% | 0.572 | 67% | 0.666 | S | S | * | * | trans | -16.7 | 140.1 | 172.2 | -156.9 | -8.4 | 0 | 0 | 0 | 117.8 | Q220 | D218-Q220 PolarHBondContact O-N 3.09Š| ||
| 219 | S | 47.1 | Very low | 58.3 | Low | 132 Ų | 132 | 115.1 Ų | 115.1 | 92% | 0.923 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 16.6 | 172 | 37.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 220 | Q | 58.4 | Low | 60.7 | Low | 162 Ų | 162 | 116 Ų | 116 | 76% | 0.757 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.6 | 25 | -174.9 | -162.1 | 128.4 | 53.7 | 0 | 0 | 113 | D218 P222 | D218-Q220 PolarHBondContact O-N 3.09Å; Q220-P222 WeakPolarHBondContact O-CD 3.42Å |
| 221 | A | 66.9 | Low | 63.1 | Low | 37 Ų | 37 | 108.6 Ų | 108.6 | 31% | 0.306 | 61% | 0.611 | S | S | . | * | trans | -67 | 121.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L230 | A221-L230 HydrophobicContact CB-CD1 4.17Å; A221-L230 HydrophobicContact CB-CD2 3.8Å; A221-L230 HydrophobicContact CB-CG 3.95Å | ||
| 222 | P | 79 | Confident | 65.6 | Low | 45 Ų | 45 | 107.8 Ų | 107.8 | 29% | 0.292 | 60% | 0.603 | S | S | . | * | trans | -66.9 | 136.9 | -176.4 | 26 | -33.2 | 0 | 0 | 0 | 111.4 | Q220 L231 L236 | Q220-P222 WeakPolarHBondContact O-CD 3.42Å; P222-L231 HydrophobicContact CG-CB 4.5Å; P222-L231 WeakPolarHBondContact O-CB 3.4Å; P222-L231 PolarHBondContact O-N 3.36Å; P222-L236 HydrophobicContact CB-CD1 4.39Å; P222-L236 HydrophobicContact CG-CD1 4.23Å; P222-L236 HydrophobicContact CG-CD2 4.2Å | ||
| 223 | I | 86.8 | Confident | 67.9 | Low | 101 Ų | 101 | 102.6 Ų | 102.6 | 52% | 0.518 | 59% | 0.592 | S | S | . | * | B | Isolated β-bridge | trans | -104.2 | 132 | 175.6 | -58.5 | 173.3 | 0 | 0 | 0 | 108 | Q228 V229 L230 | I223-Q228 HydrophobicContact CG2-CB 4.45Å; I223-V229 WeakPolarHBondContact CA-O 3.33Å; I223-L230 HydrophobicContact CG1-CB 4.35Å; I223-L230 HydrophobicContact CG1-CD1 4.43Å; I223-L230 HydrophobicContact CG1-CG 4.44Å |
| 224 | C | 86.1 | Confident | 69.9 | Low | 10 Ų | 10 | 102.2 Ų | 102.2 | 7% | 0.068 | 58% | 0.582 | C | S | . | * | trans | -64 | 124.7 | 175 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | I226 C227 Q228 V229 L231 H239 | C224-I226 PolarHBondContact O-N 3.12Å; C224-C227 VanDerWaalsContact CB-SG 3.51Å; C224-C227 VanDerWaalsContact SG-SG 3.62Å; C224-Q228 WeakPolarHBondContact O-CA 3.49Å; C224-Q228 PolarHBondContact O-N 2.92Å; C224-V229 PolarHBondContact N-O 3.32Å; C224-L231 HydrophobicContact CB-CD1 4.11Å; C224-H239 WeakPolarHBondContact CB-NE2 3.32Å; C224-H239 PolarHBondContact SG-NE2 3.22Å | ||
| 225 | P | 81.3 | Confident | 72.2 | Confident | 122 Ų | 122 | 102 Ų | 102 | 79% | 0.792 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -13.9 | -179.3 | 29 | -34.9 | 0 | 0 | 0 | 113.7 | ||
| 226 | I | 83.4 | Confident | 74.4 | Confident | 102 Ų | 102 | 100.9 Ų | 100.9 | 52% | 0.523 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -56.7 | -177.5 | -54.2 | 171.1 | 0 | 0 | 0 | 110.4 | C224 E243 L247 | C224-I226 PolarHBondContact O-N 3.12Å; I226-E243 WeakPolarHBondContact CB-OE2 3.42Å; I226-E243 HydrophobicContact CD1-CB 4.13Å; I226-E243 WeakPolarHBondContact CG2-OE2 3.42Å; I226-L247 HydrophobicContact CD1-CD1 4.18Å |
| 227 | C | 84.8 | Confident | 76.5 | Confident | 52 Ų | 52 | 97.8 Ų | 97.8 | 35% | 0.351 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -5.9 | -176.3 | 74.1 | 0 | 0 | 0 | 0 | 114.8 | C224 V229 H239 | C224-C227 VanDerWaalsContact CB-SG 3.51Å; C224-C227 VanDerWaalsContact SG-SG 3.62Å; C227-V229 HydrophobicContact CB-CG2 4.46Å; C227-V229 PolarHBondContact O-N 3.43Å; C227-V229 VanDerWaalsContact SG-CG2 3.55Å; C227-H239 PolarHBondContact SG-CE1 3.49Å; C227-H239 PolarHBondContact SG-NE2 3Å |
| 228 | Q | 83.6 | Confident | 78.9 | Confident | 160 Ų | 160 | 95.2 Ų | 95.2 | 75% | 0.748 | 52% | 0.517 | S | S | * | . | trans | 58.2 | 19.9 | -178.3 | -61.9 | -170.3 | 63.1 | 0 | 0 | 116.1 | I223 C224 | I223-Q228 HydrophobicContact CG2-CB 4.45Å; C224-Q228 WeakPolarHBondContact O-CA 3.49Å; C224-Q228 PolarHBondContact O-N 2.92Å | ||
| 229 | V | 87.6 | Confident | 81.2 | Confident | 75 Ų | 75 | 91.3 Ų | 91.3 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -73 | 135.1 | 169.6 | 177.9 | 0 | 0 | 0 | 0 | 109.9 | I223 C224 C227 L231 | I223-V229 WeakPolarHBondContact CA-O 3.33Å; C224-V229 PolarHBondContact N-O 3.32Å; C227-V229 HydrophobicContact CB-CG2 4.46Å; C227-V229 PolarHBondContact O-N 3.43Å; C227-V229 VanDerWaalsContact SG-CG2 3.55Å; V229-L231 HydrophobicContact CB-CD2 4.44Å; V229-L231 HydrophobicContact CG1-CD2 4.01Å |
| 230 | L | 87.3 | Confident | 83.2 | Confident | 111 Ų | 111 | 89.2 Ų | 89.2 | 58% | 0.581 | 47% | 0.472 | S | S | * | . | B | Isolated β-bridge | trans | -80.5 | 118.9 | 171.7 | -177.3 | 147.2 | 0 | 0 | 0 | 109.1 | A221 I223 | A221-L230 HydrophobicContact CB-CD1 4.17Å; A221-L230 HydrophobicContact CB-CD2 3.8Å; A221-L230 HydrophobicContact CB-CG 3.95Å; I223-L230 HydrophobicContact CG1-CB 4.35Å; I223-L230 HydrophobicContact CG1-CD1 4.43Å; I223-L230 HydrophobicContact CG1-CG 4.44Å |
| 231 | L | 86.3 | Confident | 84.7 | Confident | 8 Ų | 8 | 86.6 Ų | 86.6 | 4% | 0.042 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 146.3 | -170.4 | -57.8 | 171.1 | 0 | 0 | 0 | 111.2 | P222 C224 V229 L236 H239 | P222-L231 HydrophobicContact CG-CB 4.5Å; P222-L231 WeakPolarHBondContact O-CB 3.4Å; P222-L231 PolarHBondContact O-N 3.36Å; C224-L231 HydrophobicContact CB-CD1 4.11Å; V229-L231 HydrophobicContact CB-CD2 4.44Å; V229-L231 HydrophobicContact CG1-CD2 4.01Å; L231-L236 HydrophobicContact CD1-CD1 3.58Å; L231-H239 HydrophobicContact CD1-CB 4.15Å; L231-H239 HydrophobicContact CD2-CB 3.84Å |
| 232 | R | 85.2 | Confident | 85.8 | Confident | 161 Ų | 161 | 90.3 Ų | 90.3 | 61% | 0.608 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -79.9 | 149.4 | 164.7 | -62.9 | -177.8 | 169 | -153.5 | -4.6 | 109.6 | S234 E235 L236 | R232-S234 PolarHBondContact O-N 3.26Å; R232-E235 HydrophobicContact CB-CB 4.38Å; R232-E235 HydrophobicContact CB-CG 4.27Å; R232-E235 WeakPolarHBondContact CB-OE2 3.5Å; R232-E235 WeakPolarHBondContact CD-OE1 3.47Å; R232-E235 WeakPolarHBondContact CG-OE2 3.15Å; R232-E235 PolarHBondContact O-N 3.48Å; R232-L236 PolarHBondContact O-N 2.9Å; R232-L236 VanDerWaalsContact O-N 3.12Å |
| 233 | P | 80.8 | Confident | 86.4 | Confident | 103 Ų | 103 | 89.2 Ų | 89.2 | 67% | 0.669 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -29.1 | 177.1 | -28.5 | 36 | 0 | 0 | 0 | 114.6 | ||
| 234 | S | 81.1 | Confident | 86.4 | Confident | 98 Ų | 98 | 89.4 Ų | 89.4 | 69% | 0.685 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -22.1 | 175.5 | 52.8 | 0 | 0 | 0 | 0 | 114.7 | R232 | R232-S234 PolarHBondContact O-N 3.26Š|
| 235 | E | 85.2 | Confident | 86.5 | Confident | 88 Ų | 88 | 93.9 Ų | 93.9 | 41% | 0.411 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -10.7 | -174.5 | -67.4 | 157.9 | -168.9 | 0 | 0 | 111.5 | R232 Q237 H239 | R232-E235 HydrophobicContact CB-CB 4.38Å; R232-E235 HydrophobicContact CB-CG 4.27Å; R232-E235 WeakPolarHBondContact CB-OE2 3.5Å; R232-E235 WeakPolarHBondContact CD-OE1 3.47Å; R232-E235 WeakPolarHBondContact CG-OE2 3.15Å; R232-E235 PolarHBondContact O-N 3.48Å; E235-Q237 PolarHBondContact O-N 2.95Å; E235-H239 VanDerWaalsContact O-CB 3.27Å; E235-H239 WeakPolarHBondContact O-CB 3.38Å; E235-H239 PolarHBondContact O-N 2.85Å |
| 236 | L | 85.8 | Confident | 86.7 | Confident | 74 Ų | 74 | 92.6 Ų | 92.6 | 39% | 0.387 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | -176.5 | 178.3 | 63.7 | 0 | 0 | 0 | 113.2 | P222 L231 R232 M240 | P222-L236 HydrophobicContact CB-CD1 4.39Å; P222-L236 HydrophobicContact CG-CD1 4.23Å; P222-L236 HydrophobicContact CG-CD2 4.2Å; L231-L236 HydrophobicContact CD1-CD1 3.58Å; R232-L236 PolarHBondContact O-N 2.9Å; R232-L236 VanDerWaalsContact O-N 3.12Å; L236-M240 WeakPolarHBondContact O-CB 3.25Å; L236-M240 PolarHBondContact O-N 3.21Å |
| 237 | Q | 87.5 | Confident | 86.5 | Confident | 107 Ų | 107 | 92.1 Ų | 92.1 | 50% | 0.5 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.5 | -50.3 | -177.6 | -176.6 | 65.9 | 25 | 0 | 0 | 111.5 | E235 H239 M240 E241 | E235-Q237 PolarHBondContact O-N 2.95Å; Q237-H239 VanDerWaalsContact C-N 3.33Å; Q237-H239 PolarHBondContact O-N 2.87Å; Q237-M240 PolarHBondContact O-N 3.4Å; Q237-E241 PolarHBondContact NE2-OE1 3.47Å; Q237-E241 WeakPolarHBondContact O-CG 3.38Å; Q237-E241 PolarHBondContact O-N 3.48Å |
| 238 | E | 90.3 | Very high | 86.3 | Confident | 144 Ų | 144 | 93.4 Ų | 93.4 | 67% | 0.673 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62 | -41 | 179.2 | -173.8 | 176.4 | -170.7 | 0 | 0 | 111.3 | E241 Q242 | E238-E241 PolarHBondContact O-N 3.1Å; E238-Q242 WeakPolarHBondContact O-CB 3.47Å; E238-Q242 PolarHBondContact O-N 2.72Å |
| 239 | H | 90.5 | Very high | 85.9 | Confident | 25 Ų | 25 | 92 Ų | 92 | 12% | 0.116 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 175.7 | -174.3 | 71 | 0 | 0 | 0 | 112.8 | C224 C227 L231 E235 Q237 Q242 E243 | C224-H239 WeakPolarHBondContact CB-NE2 3.32Å; C224-H239 PolarHBondContact SG-NE2 3.22Å; C227-H239 PolarHBondContact SG-CE1 3.49Å; C227-H239 PolarHBondContact SG-NE2 3Å; L231-H239 HydrophobicContact CD1-CB 4.15Å; L231-H239 HydrophobicContact CD2-CB 3.84Å; E235-H239 VanDerWaalsContact O-CB 3.27Å; E235-H239 WeakPolarHBondContact O-CB 3.38Å; E235-H239 PolarHBondContact O-N 2.85Å; Q237-H239 VanDerWaalsContact C-N 3.33Å; Q237-H239 PolarHBondContact O-N 2.87Å; H239-Q242 PolarHBondContact O-N 2.83Å; H239-E243 IonicContact CE1-OE1 3.82Å; H239-E243 WeakPolarHBondContact O-CG 3.44Å; H239-E243 PolarHBondContact O-N 2.92Å |
| 240 | M | 88.8 | Confident | 85.2 | Confident | 89 Ų | 89 | 94.2 Ų | 94.2 | 44% | 0.438 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 175.2 | 179.4 | -176.4 | 65.9 | 0 | 0 | 111.5 | L236 Q237 Q242 E243 L244 | L236-M240 WeakPolarHBondContact O-CB 3.25Å; L236-M240 PolarHBondContact O-N 3.21Å; Q237-M240 PolarHBondContact O-N 3.4Å; M240-Q242 VanDerWaalsContact C-N 3.34Å; M240-E243 PolarHBondContact O-N 2.9Å; M240-L244 HydrophobicContact CG-CD1 4.16Å; M240-L244 WeakPolarHBondContact O-CB 3.39Å; M240-L244 VanDerWaalsContact O-CG 3.31Å; M240-L244 WeakPolarHBondContact O-CG 3.29Å; M240-L244 PolarHBondContact O-N 2.77Å |
| 241 | E | 91.1 | Very high | 83.8 | Confident | 107 Ų | 107 | 93.5 Ų | 93.5 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 175.6 | -72.1 | 171.4 | -166.7 | 0 | 0 | 111.3 | Q237 E238 L244 E245 | Q237-E241 PolarHBondContact NE2-OE1 3.47Å; Q237-E241 WeakPolarHBondContact O-CG 3.38Å; Q237-E241 PolarHBondContact O-N 3.48Å; E238-E241 PolarHBondContact O-N 3.1Å; E241-L244 PolarHBondContact O-N 3.5Å; E241-E245 WeakPolarHBondContact O-CB 3.31Å; E241-E245 PolarHBondContact O-N 2.87Å |
| 242 | Q | 89.4 | Confident | 82.5 | Confident | 115 Ų | 115 | 99.2 Ų | 99.2 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 175.7 | -168.7 | -176.9 | 11.8 | 0 | 0 | 113.3 | E238 H239 M240 Q246 | E238-Q242 WeakPolarHBondContact O-CB 3.47Å; E238-Q242 PolarHBondContact O-N 2.72Å; H239-Q242 PolarHBondContact O-N 2.83Å; M240-Q242 VanDerWaalsContact C-N 3.34Å; Q242-Q246 WeakPolarHBondContact O-CB 3.14Å; Q242-Q246 VanDerWaalsContact O-CG 3.3Å; Q242-Q246 WeakPolarHBondContact O-CG 3.42Å; Q242-Q246 PolarHBondContact O-N 2.77Å; Q242-Q246 PolarHBondContact O-NE2 3.29Å; Q242-Q246 VanDerWaalsContact O-NE2 3.09Å |
| 243 | E | 91.8 | Very high | 80.6 | Confident | 22 Ų | 22 | 96.1 Ų | 96.1 | 10% | 0.103 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -71.2 | -38.6 | 175.6 | -67.2 | -69.5 | 115.2 | 0 | 0 | 111.5 | I226 H239 M240 Q246 L247 | I226-E243 WeakPolarHBondContact CB-OE2 3.42Å; I226-E243 HydrophobicContact CD1-CB 4.13Å; I226-E243 WeakPolarHBondContact CG2-OE2 3.42Å; H239-E243 IonicContact CE1-OE1 3.82Å; H239-E243 WeakPolarHBondContact O-CG 3.44Å; H239-E243 PolarHBondContact O-N 2.92Å; M240-E243 PolarHBondContact O-N 2.9Å; E243-Q246 PolarHBondContact O-N 2.88Å; E243-Q246 PolarHBondContact OE1-NE2 3.01Å; E243-L247 WeakPolarHBondContact O-CB 3.4Å; E243-L247 VanDerWaalsContact O-CG 3.27Å; E243-L247 WeakPolarHBondContact O-CG 3.32Å; E243-L247 PolarHBondContact O-N 2.74Å |
| 244 | L | 87.3 | Confident | 79.2 | Confident | 104 Ų | 104 | 100.1 Ų | 100.1 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 174.2 | -72.7 | 172 | 0 | 0 | 0 | 112.2 | M240 E241 L247 A248 | M240-L244 HydrophobicContact CG-CD1 4.16Å; M240-L244 WeakPolarHBondContact O-CB 3.39Å; M240-L244 VanDerWaalsContact O-CG 3.31Å; M240-L244 WeakPolarHBondContact O-CG 3.29Å; M240-L244 PolarHBondContact O-N 2.77Å; E241-L244 PolarHBondContact O-N 3.5Å; L244-L247 PolarHBondContact O-N 2.94Å; L244-A248 WeakPolarHBondContact O-CB 3.33Å; L244-A248 PolarHBondContact O-N 3.45Å |
| 245 | E | 88.4 | Confident | 77.5 | Confident | 105 Ų | 105 | 103.2 Ų | 103.2 | 49% | 0.491 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 176.4 | -175.9 | 59.2 | -147.6 | 0 | 0 | 111.3 | E241 L247 A248 Q249 | E241-E245 WeakPolarHBondContact O-CB 3.31Å; E241-E245 PolarHBondContact O-N 2.87Å; E245-L247 VanDerWaalsContact C-N 3.32Å; E245-L247 PolarHBondContact O-N 3.46Å; E245-A248 PolarHBondContact O-N 2.77Å; E245-Q249 WeakPolarHBondContact O-CB 3.39Å; E245-Q249 VanDerWaalsContact O-CG 3.3Å; E245-Q249 WeakPolarHBondContact O-CG 3.4Å; E245-Q249 PolarHBondContact O-N 2.68Å; E245-Q249 PolarHBondContact OE1-NE2 3.36Å |
| 246 | Q | 84.3 | Confident | 74.9 | Confident | 95 Ų | 95 | 105 Ų | 105 | 44% | 0.444 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.6 | -41.4 | 171.1 | -78.7 | 173.4 | 94.6 | 0 | 0 | 112.2 | Q242 E243 Q249 L250 | Q242-Q246 WeakPolarHBondContact O-CB 3.14Å; Q242-Q246 VanDerWaalsContact O-CG 3.3Å; Q242-Q246 WeakPolarHBondContact O-CG 3.42Å; Q242-Q246 PolarHBondContact O-N 2.77Å; Q242-Q246 PolarHBondContact O-NE2 3.29Å; Q242-Q246 VanDerWaalsContact O-NE2 3.09Å; E243-Q246 PolarHBondContact O-N 2.88Å; E243-Q246 PolarHBondContact OE1-NE2 3.01Å; Q246-Q249 PolarHBondContact O-N 3.11Å; Q246-L250 PolarHBondContact O-N 2.8Å |
| 247 | L | 79.9 | Confident | 72.9 | Confident | 92 Ų | 92 | 108.6 Ų | 108.6 | 48% | 0.482 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.2 | -34.8 | 175.9 | -71.9 | 170.5 | 0 | 0 | 0 | 112.6 | I226 E243 L244 E245 L250 | I226-L247 HydrophobicContact CD1-CD1 4.18Å; E243-L247 WeakPolarHBondContact O-CB 3.4Å; E243-L247 VanDerWaalsContact O-CG 3.27Å; E243-L247 WeakPolarHBondContact O-CG 3.32Å; E243-L247 PolarHBondContact O-N 2.74Å; L244-L247 PolarHBondContact O-N 2.94Å; E245-L247 VanDerWaalsContact C-N 3.32Å; E245-L247 PolarHBondContact O-N 3.46Å; L247-L250 HydrophobicContact CD2-CD1 4.21Å; L247-L250 PolarHBondContact O-N 2.89Å |
| 248 | A | 80.8 | Confident | 70.9 | Confident | 78 Ų | 78 | 110.9 Ų | 110.9 | 65% | 0.645 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.8 | -32.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L244 E245 L250 | L244-A248 WeakPolarHBondContact O-CB 3.33Å; L244-A248 PolarHBondContact O-N 3.45Å; E245-A248 PolarHBondContact O-N 2.77Å; A248-L250 VanDerWaalsContact C-N 3.3Å; A248-L250 PolarHBondContact O-N 3.43Å |
| 249 | Q | 75.4 | Confident | 68.1 | Low | 132 Ų | 132 | 114 Ų | 114 | 62% | 0.617 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -6.2 | 176 | -71.9 | -178.4 | 24.1 | 0 | 0 | 114.1 | E245 Q246 P251 | E245-Q249 WeakPolarHBondContact O-CB 3.39Å; E245-Q249 VanDerWaalsContact O-CG 3.3Å; E245-Q249 WeakPolarHBondContact O-CG 3.4Å; E245-Q249 PolarHBondContact O-N 2.68Å; E245-Q249 PolarHBondContact OE1-NE2 3.36Å; Q246-Q249 PolarHBondContact O-N 3.11Å; Q249-P251 WeakPolarHBondContact O-CD 3.49Å |
| 250 | L | 71.4 | Confident | 65.4 | Low | 120 Ų | 120 | 120.1 Ų | 120.1 | 63% | 0.628 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -73.2 | 105.9 | 165.3 | -69.8 | 175.3 | 0 | 0 | 0 | 108.9 | Q246 L247 A248 S252 | Q246-L250 PolarHBondContact O-N 2.8Å; L247-L250 HydrophobicContact CD2-CD1 4.21Å; L247-L250 PolarHBondContact O-N 2.89Å; A248-L250 VanDerWaalsContact C-N 3.3Å; A248-L250 PolarHBondContact O-N 3.43Å; L250-S252 PolarHBondContact O-N 3.24Å |
| 251 | P | 57.5 | Low | 62.9 | Low | 96 Ų | 96 | 120.3 Ų | 120.3 | 62% | 0.623 | 66% | 0.659 | S | S | * | * | trans | -61.9 | 145 | 175.6 | 28.7 | -35.8 | 0 | 0 | 0 | 109.4 | Q249 S253 | Q249-P251 WeakPolarHBondContact O-CD 3.49Å; P251-S253 WeakPolarHBondContact CB-OG 3.48Å; P251-S253 WeakPolarHBondContact CG-OG 3.5Å; P251-S253 PolarHBondContact O-N 3.49Å | ||
| 252 | S | 59.2 | Low | 60 | Low | 129 Ų | 129 | 124.5 Ų | 124.5 | 90% | 0.902 | 68% | 0.681 | S | S | * | * | trans | -70.8 | 57.3 | 177.3 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | L250 K254 | L250-S252 PolarHBondContact O-N 3.24Å; S252-K254 PolarHBondContact O-N 3.45Å; S252-K254 VanDerWaalsContact O-N 3.09Å | ||
| 253 | S | 46.3 | Very low | 57.3 | Low | 95 Ų | 95 | 123.4 Ų | 123.4 | 66% | 0.664 | 69% | 0.691 | S | S | * | * | trans | -87.7 | 74.4 | -167.1 | -67.9 | 0 | 0 | 0 | 0 | 111.7 | P251 | P251-S253 WeakPolarHBondContact CB-OG 3.48Å; P251-S253 WeakPolarHBondContact CG-OG 3.5Å; P251-S253 PolarHBondContact O-N 3.49Å | ||
| 254 | K | 51.2 | Low | 54.9 | Low | 188 Ų | 188 | 128.6 Ų | 128.6 | 82% | 0.817 | 73% | 0.727 | S | S | * | * | trans | -77.6 | 123.5 | 153.1 | -74.1 | -178.4 | 178.9 | 175.2 | 0 | 108.3 | S252 | S252-K254 PolarHBondContact O-N 3.45Å; S252-K254 VanDerWaalsContact O-N 3.09Å | ||
| 255 | N | 44.8 | Very low | 52 | Low | 162 Ų | 162 | 127.3 Ų | 127.3 | 87% | 0.866 | 74% | 0.739 | S | S | * | * | trans | 82.5 | 95.4 | 175.7 | -45 | -63.3 | 0 | 0 | 0 | 117.1 | ||||
| 256 | S | 31.9 | Very low | 49.6 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | -155.1 | 129.4 | 126.1 | -168.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 257 | L | 42.9 | Very low | 47.8 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | -117.7 | 135.7 | 175.3 | -123.3 | 173.1 | 0 | 0 | 0 | 107.8 | ||||
| 258 | L | 44.8 | Very low | 45.8 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | 70.6 | 106.5 | 168.2 | -48.8 | 175.5 | 0 | 0 | 0 | 118.3 | ||||
| 259 | K | 32.4 | Very low | 43.4 | Very low | 208 Ų | 208 | 134.7 Ų | 134.7 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | -163.6 | 153.3 | 118.9 | -147.6 | 162.7 | -178.9 | 175.8 | 0 | 113 | |||||
| 260 | D | 34.3 | Very low | 41.4 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -85.9 | 157.8 | -165.1 | -61 | -79.8 | 0 | 0 | 0 | 118.5 | ||||
| 261 | A | 35.5 | Very low | 39.6 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | 60.8 | 113 | 140 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 262 | M | 30.2 | Very low | 38.3 | Very low | 194 Ų | 194 | 142 Ų | 142 | 96% | 0.956 | 82% | 0.821 | S | S | * | * | -178.6 | 153.1 | 99.3 | -101.4 | -170.4 | 160.3 | 0 | 0 | 113 | |||||
| 263 | A | 32.4 | Very low | 37 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | trans | -87.2 | -178.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 264 | P | 41.2 | Very low | 36.2 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | cis | -143.6 | 171.3 | 14.3 | 43 | -23.5 | 0 | 0 | 0 | 118.6 | ||||
| 265 | G | 28 | Very low | 35.3 | Very low | 77 Ų | 77 | 137.5 Ų | 137.5 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 170.7 | 113.4 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 266 | T | 37.4 | Very low | 34.7 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | trans | -128.3 | 156.7 | 170.7 | 64.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 267 | P | 46.1 | Very low | 34.8 | Very low | 118 Ų | 118 | 139.9 Ų | 139.9 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | -138.9 | 130.9 | 91.1 | 20.6 | 1.1 | 0 | 0 | 0 | 114 | |||||
| 268 | K | 37.9 | Very low | 34.4 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | 67.8 | 114.8 | 91 | -66.2 | -169.6 | -175.4 | 72.7 | 0 | 116.9 | |||||
| 269 | S | 30.2 | Very low | 33.7 | Very low | 110 Ų | 110 | 143.6 Ų | 143.6 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -155 | 94.9 | 142.2 | -170.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 270 | L | 33 | Very low | 33.8 | Very low | 166 Ų | 166 | 137 Ų | 137 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | 54.8 | 104.7 | 136.3 | -55.6 | 180 | 0 | 0 | 0 | 121.6 | ||||
| 271 | L | 34.9 | Very low | 33.5 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -78.6 | 152.9 | 155 | -77.9 | 166 | 0 | 0 | 0 | 111.8 | ||||
| 272 | L | 29.4 | Very low | 33.2 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | trans | -144.4 | 109.5 | 144.8 | -167.7 | 69.5 | 0 | 0 | 0 | 110.5 | ||||
| 273 | S | 32.4 | Very low | 34.5 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | trans | -121.9 | 132.3 | 169.9 | 47.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 274 | A | 29.6 | Very low | 34.4 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -97.2 | 132.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 275 | S | 31.7 | Very low | 33.8 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | trans | -89.7 | 145 | -167.4 | -35.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 276 | I | 32.9 | Very low | 34 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | trans | -127 | 140.2 | 145.4 | -66 | -174 | 0 | 0 | 0 | 108.8 | ||||
| 277 | K | 34 | Very low | 34.5 | Very low | 159 Ų | 159 | 138 Ų | 138 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | trans | -108.4 | 139.2 | -159.3 | -174.6 | -174 | -174.8 | -163.8 | 0 | 111.5 | E279 | K277-E279 WeakPolarHBondContact CE-OE1 3.44Å; K277-E279 IonicContact NZ-OE1 3.91Å | ||
| 278 | R | 34.2 | Very low | 33.9 | Very low | 232 Ų | 232 | 140.6 Ų | 140.6 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | trans | -169.2 | 116.5 | 137.5 | -96.6 | 155.5 | -145.1 | -119.4 | 8.1 | 109 | ||||
| 279 | E | 30.9 | Very low | 33.9 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | 50 | 113.8 | 102.9 | -41.6 | -55.7 | 132.8 | 0 | 0 | 112.4 | K277 | K277-E279 WeakPolarHBondContact CE-OE1 3.44Å; K277-E279 IonicContact NZ-OE1 3.91Å | |||
| 280 | G | 34.2 | Very low | 34.5 | Very low | 69 Ų | 69 | 136.8 Ų | 136.8 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | -178 | -176.8 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 281 | E | 26.8 | Very low | 35.2 | Very low | 200 Ų | 200 | 133.2 Ų | 133.2 | 94% | 0.935 | 79% | 0.791 | S | S | * | * | trans | 76.5 | 140.8 | 170.3 | -59.4 | -174.6 | 132.8 | 0 | 0 | 120.8 | ||||
| 282 | S | 30.1 | Very low | 35.9 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -168.4 | 171.4 | 179.1 | -65.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 283 | P | 57 | Low | 36.8 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | cis | -131.9 | 176 | -2.5 | 41.2 | -25.8 | 0 | 0 | 0 | 114.2 | ||||
| 284 | T | 29.9 | Very low | 37.8 | Very low | 153 Ų | 153 | 128.8 Ų | 128.8 | 94% | 0.939 | 77% | 0.765 | S | S | * | * | trans | -169.8 | 165.6 | 132 | 14 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 285 | A | 30.2 | Very low | 38.9 | Very low | 85 Ų | 85 | 130 Ų | 130 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | trans | -92.1 | 141.2 | -151.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 286 | S | 30.9 | Very low | 40.1 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | 66.8 | 164.1 | 125.2 | -61.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 287 | P | 49.3 | Very low | 41.1 | Very low | 98 Ų | 98 | 128 Ų | 128 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | cis | -132.3 | 177.6 | -46.6 | 31.7 | -12.9 | 0 | 0 | 0 | 113.8 | ||||
| 288 | H | 32.7 | Very low | 42.8 | Very low | 173 Ų | 173 | 123.6 Ų | 123.6 | 80% | 0.801 | 72% | 0.719 | S | S | * | * | trans | 86.8 | 143.7 | 169.4 | -52.7 | -76.3 | 0 | 0 | 0 | 119.5 | ||||
| 289 | S | 38.6 | Very low | 45 | Very low | 124 Ų | 124 | 117.2 Ų | 117.2 | 87% | 0.867 | 70% | 0.702 | S | S | * | * | trans | 84 | 56.8 | 165.3 | -48.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 290 | S | 42.1 | Very low | 47.5 | Very low | 87 Ų | 87 | 118.8 Ų | 118.8 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | trans | -148.9 | 8.7 | 170.4 | 65.5 | 0 | 0 | 0 | 0 | 118.2 | T292 | S290-T292 VanDerWaalsContact C-N 3.34Å; S290-T292 PolarHBondContact O-N 2.99Å | ||
| 291 | A | 47 | Very low | 50 | Low | 92 Ų | 92 | 122 Ų | 122 | 76% | 0.76 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -22.2 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 292 | T | 49.5 | Very low | 52.9 | Low | 107 Ų | 107 | 117.3 Ų | 117.3 | 66% | 0.656 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -32.5 | -178.8 | 48.3 | 0 | 0 | 0 | 0 | 113.2 | S290 H296 | S290-T292 VanDerWaalsContact C-N 3.34Å; S290-T292 PolarHBondContact O-N 2.99Å; T292-H296 PolarHBondContact O-CD2 3.35Å; T292-H296 PolarHBondContact O-N 3.22Å |
| 293 | D | 49.9 | Very low | 55.7 | Low | 111 Ų | 111 | 114.8 Ų | 114.8 | 59% | 0.594 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.1 | -39.5 | -174.9 | -151.4 | -97 | 0 | 0 | 0 | 111.9 | L295 H296 H297 | D293-L295 VanDerWaalsContact C-N 3.3Å; D293-L295 PolarHBondContact O-N 3.26Å; D293-H296 PolarHBondContact O-N 2.88Å; D293-H296 VanDerWaalsContact O-N 3.17Å; D293-H297 PolarHBondContact O-N 2.88Å |
| 294 | D | 51.9 | Low | 57.4 | Low | 120 Ų | 120 | 114.6 Ų | 114.6 | 64% | 0.642 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.5 | -37.4 | 178.9 | -137.8 | -36.2 | 0 | 0 | 0 | 112 | H297 S298 | D294-H297 PolarHBondContact O-N 2.93Å; D294-S298 WeakPolarHBondContact O-CB 3.35Å; D294-S298 PolarHBondContact O-N 2.99Å |
| 295 | L | 53 | Low | 60.4 | Low | 134 Ų | 134 | 110.5 Ų | 110.5 | 70% | 0.702 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.7 | -41.7 | 176.7 | -141.1 | 75.7 | 0 | 0 | 0 | 111.7 | D293 D299 | D293-L295 VanDerWaalsContact C-N 3.3Å; D293-L295 PolarHBondContact O-N 3.26Å; L295-D299 PolarHBondContact O-N 2.76Å; L295-D299 VanDerWaalsContact O-N 3.13Å |
| 296 | H | 56.1 | Low | 63.4 | Low | 130 Ų | 130 | 114.9 Ų | 114.9 | 60% | 0.602 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.7 | -31 | 174.6 | -72.1 | -59 | 0 | 0 | 0 | 112.9 | T292 D293 R300 | T292-H296 PolarHBondContact O-CD2 3.35Å; T292-H296 PolarHBondContact O-N 3.22Å; D293-H296 PolarHBondContact O-N 2.88Å; D293-H296 VanDerWaalsContact O-N 3.17Å; H296-R300 VanDerWaalsContact O-CB 3.25Å; H296-R300 WeakPolarHBondContact O-CB 3.27Å; H296-R300 PolarHBondContact O-N 3.25Å |
| 297 | H | 55.2 | Low | 66.5 | Low | 118 Ų | 118 | 113.9 Ų | 113.9 | 55% | 0.546 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.1 | -41.1 | 174.2 | -149.1 | 95 | 0 | 0 | 0 | 111.3 | D293 D294 Y301 | D293-H297 PolarHBondContact O-N 2.88Å; D294-H297 PolarHBondContact O-N 2.93Å; H297-Y301 VanDerWaalsContact O-CB 3.31Å; H297-Y301 WeakPolarHBondContact O-CB 3.18Å; H297-Y301 PolarHBondContact O-N 3.2Å |
| 298 | S | 69.8 | Low | 68.5 | Low | 66 Ų | 66 | 117 Ų | 117 | 46% | 0.462 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.1 | -49 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 112.4 | D294 Y301 Q302 | D294-S298 WeakPolarHBondContact O-CB 3.35Å; D294-S298 PolarHBondContact O-N 2.99Å; S298-Y301 PolarHBondContact O-N 2.73Å; S298-Q302 WeakPolarHBondContact O-CG 3.42Å; S298-Q302 PolarHBondContact O-N 2.68Å |
| 299 | D | 79.7 | Confident | 71.2 | Confident | 98 Ų | 98 | 111.4 Ų | 111.4 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.2 | -39.4 | 178.7 | -177.2 | 51.1 | 0 | 0 | 0 | 112.8 | L295 Y301 Q302 T303 | L295-D299 PolarHBondContact O-N 2.76Å; L295-D299 VanDerWaalsContact O-N 3.13Å; D299-Y301 VanDerWaalsContact C-N 3.32Å; D299-Y301 PolarHBondContact O-N 3.08Å; D299-Q302 PolarHBondContact O-N 2.8Å; D299-T303 WeakPolarHBondContact O-CB 3.36Å; D299-T303 PolarHBondContact O-N 2.65Å; D299-T303 PolarHBondContact O-OG1 2.95Å |
| 300 | R | 82.9 | Confident | 73.6 | Confident | 186 Ų | 186 | 110.2 Ų | 110.2 | 70% | 0.702 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -61.7 | -40.1 | 172.4 | -172.5 | -178.1 | -67 | -174 | 1.2 | 111.6 | H296 T303 F304 | H296-R300 VanDerWaalsContact O-CB 3.25Å; H296-R300 WeakPolarHBondContact O-CB 3.27Å; H296-R300 PolarHBondContact O-N 3.25Å; R300-T303 PolarHBondContact O-N 2.75Å; R300-F304 WeakPolarHBondContact O-CB 3.45Å; R300-F304 PolarHBondContact O-N 3.47Å |
| 301 | Y | 87.3 | Confident | 75.9 | Confident | 136 Ų | 136 | 114.3 Ų | 114.3 | 53% | 0.533 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.1 | -42.3 | 177.3 | -174.2 | -106.6 | 0 | 0 | 0 | 112.3 | H297 S298 D299 T303 F304 L305 | H297-Y301 VanDerWaalsContact O-CB 3.31Å; H297-Y301 WeakPolarHBondContact O-CB 3.18Å; H297-Y301 PolarHBondContact O-N 3.2Å; S298-Y301 PolarHBondContact O-N 2.73Å; D299-Y301 VanDerWaalsContact C-N 3.32Å; D299-Y301 PolarHBondContact O-N 3.08Å; Y301-T303 VanDerWaalsContact C-N 3.33Å; Y301-T303 PolarHBondContact O-N 2.98Å; Y301-F304 WeakPolarHBondContact O-CB 3.32Å; Y301-F304 PolarHBondContact O-N 2.71Å; Y301-L305 HydrophobicContact CD1-CD1 3.99Å; Y301-L305 HydrophobicContact CD1-CG 4.34Å; Y301-L305 HydrophobicContact CE1-CD1 3.58Å; Y301-L305 HydrophobicContact CE1-CD2 4.42Å; Y301-L305 HydrophobicContact CE1-CG 4.03Å; Y301-L305 WeakPolarHBondContact O-CG 3.35Å; Y301-L305 PolarHBondContact O-N 3.47Å |
| 302 | Q | 88.6 | Confident | 77.9 | Confident | 103 Ų | 103 | 114.5 Ų | 114.5 | 48% | 0.481 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.9 | -42.9 | 172.7 | -73.4 | -71.2 | 6.6 | 0 | 0 | 111.9 | S298 D299 L305 R306 | S298-Q302 WeakPolarHBondContact O-CG 3.42Å; S298-Q302 PolarHBondContact O-N 2.68Å; D299-Q302 PolarHBondContact O-N 2.8Å; Q302-L305 PolarHBondContact O-N 2.99Å; Q302-R306 WeakPolarHBondContact O-CB 3.36Å; Q302-R306 PolarHBondContact O-N 3.26Å |
| 303 | T | 88.4 | Confident | 79.5 | Confident | 63 Ų | 63 | 114 Ų | 114 | 39% | 0.387 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 173.9 | -65.9 | 0 | 0 | 0 | 0 | 111.5 | D299 R300 Y301 R306 V307 | D299-T303 WeakPolarHBondContact O-CB 3.36Å; D299-T303 PolarHBondContact O-N 2.65Å; D299-T303 PolarHBondContact O-OG1 2.95Å; R300-T303 PolarHBondContact O-N 2.75Å; Y301-T303 VanDerWaalsContact C-N 3.33Å; Y301-T303 PolarHBondContact O-N 2.98Å; T303-R306 PolarHBondContact O-N 2.64Å; T303-V307 HydrophobicContact CG2-CG2 4.48Å; T303-V307 WeakPolarHBondContact O-CG2 3.09Å; T303-V307 PolarHBondContact O-N 3Å |
| 304 | F | 92.2 | Very high | 81 | Confident | 111 Ų | 111 | 115.3 Ų | 115.3 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 174.5 | 170.6 | -100.9 | 0 | 0 | 0 | 112.6 | R300 Y301 R306 V307 R308 | R300-F304 WeakPolarHBondContact O-CB 3.45Å; R300-F304 PolarHBondContact O-N 3.47Å; Y301-F304 WeakPolarHBondContact O-CB 3.32Å; Y301-F304 PolarHBondContact O-N 2.71Å; F304-R306 PolarHBondContact O-N 3.5Å; F304-V307 PolarHBondContact O-N 3.48Å; F304-R308 VanDerWaalsContact O-CB 3.27Å; F304-R308 WeakPolarHBondContact O-CB 3.5Å; F304-R308 PolarHBondContact O-N 3.38Å |
| 305 | L | 94.2 | Very high | 82.1 | Confident | 66 Ų | 66 | 113.3 Ų | 113.3 | 35% | 0.346 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 176.2 | -70.2 | -179.9 | 0 | 0 | 0 | 111.7 | Y301 Q302 R308 A309 | Y301-L305 HydrophobicContact CD1-CD1 3.99Å; Y301-L305 HydrophobicContact CD1-CG 4.34Å; Y301-L305 HydrophobicContact CE1-CD1 3.58Å; Y301-L305 HydrophobicContact CE1-CD2 4.42Å; Y301-L305 HydrophobicContact CE1-CG 4.03Å; Y301-L305 WeakPolarHBondContact O-CG 3.35Å; Y301-L305 PolarHBondContact O-N 3.47Å; Q302-L305 PolarHBondContact O-N 2.99Å; L305-R308 PolarHBondContact O-N 3.06Å; L305-A309 WeakPolarHBondContact O-CB 3.14Å; L305-A309 PolarHBondContact O-N 3.5Å |
| 306 | R | 93.1 | Very high | 83.1 | Confident | 178 Ų | 178 | 111.1 Ų | 111.1 | 67% | 0.672 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.6 | -46.8 | 176.8 | -166.3 | -175.6 | -60.6 | 166.5 | 4.3 | 111.8 | Q302 T303 F304 A309 N310 | Q302-R306 WeakPolarHBondContact O-CB 3.36Å; Q302-R306 PolarHBondContact O-N 3.26Å; T303-R306 PolarHBondContact O-N 2.64Å; F304-R306 PolarHBondContact O-N 3.5Å; R306-A309 PolarHBondContact O-N 2.84Å; R306-N310 WeakPolarHBondContact O-CB 3.37Å; R306-N310 PolarHBondContact O-N 3.36Å |
| 307 | V | 94.8 | Very high | 83.7 | Confident | 90 Ų | 90 | 107.7 Ų | 107.7 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 176.6 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | T303 F304 N310 R311 | T303-V307 HydrophobicContact CG2-CG2 4.48Å; T303-V307 WeakPolarHBondContact O-CG2 3.09Å; T303-V307 PolarHBondContact O-N 3Å; F304-V307 PolarHBondContact O-N 3.48Å; V307-N310 PolarHBondContact O-N 2.88Å; V307-R311 WeakPolarHBondContact O-CB 3.49Å; V307-R311 PolarHBondContact O-N 2.73Å |
| 308 | R | 92.3 | Very high | 84.2 | Confident | 164 Ų | 164 | 109.1 Ų | 109.1 | 62% | 0.619 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63 | -46.8 | 176.4 | -176 | 176.1 | -179.6 | 160.3 | 0.1 | 111.7 | F304 L305 R311 Q312 | F304-R308 VanDerWaalsContact O-CB 3.27Å; F304-R308 WeakPolarHBondContact O-CB 3.5Å; F304-R308 PolarHBondContact O-N 3.38Å; L305-R308 PolarHBondContact O-N 3.06Å; R308-R311 PolarHBondContact O-N 3.02Å; R308-Q312 WeakPolarHBondContact O-CB 3.39Å; R308-Q312 PolarHBondContact O-N 3.2Å |
| 309 | A | 88.5 | Confident | 83.9 | Confident | 56 Ų | 56 | 111.3 Ų | 111.3 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L305 R306 R311 Q312 T313 | L305-A309 WeakPolarHBondContact O-CB 3.14Å; L305-A309 PolarHBondContact O-N 3.5Å; R306-A309 PolarHBondContact O-N 2.84Å; A309-R311 PolarHBondContact O-N 3.03Å; A309-Q312 PolarHBondContact O-N 2.89Å; A309-T313 PolarHBondContact O-N 3.06Å; A309-T313 PolarHBondContact O-OG1 3.14Å; A309-T313 VanDerWaalsContact O-OG1 3.08Å |
| 310 | N | 89.3 | Confident | 82.8 | Confident | 99 Ų | 99 | 108.7 Ų | 108.7 | 53% | 0.529 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -42.3 | 179 | -160.1 | -65.9 | 0 | 0 | 0 | 112 | R306 V307 Q312 T313 R314 | R306-N310 WeakPolarHBondContact O-CB 3.37Å; R306-N310 PolarHBondContact O-N 3.36Å; V307-N310 PolarHBondContact O-N 2.88Å; N310-Q312 PolarHBondContact O-N 3.01Å; N310-T313 PolarHBondContact O-N 3.06Å; N310-R314 WeakPolarHBondContact O-CG 3.48Å; N310-R314 PolarHBondContact O-N 2.85Å |
| 311 | R | 90.8 | Very high | 81.4 | Confident | 173 Ų | 173 | 107.9 Ų | 107.9 | 65% | 0.653 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.7 | -43.6 | 172.1 | -179.4 | 179.5 | -83.5 | -131.8 | 2.1 | 111.5 | V307 R308 A309 R314 L315 | V307-R311 WeakPolarHBondContact O-CB 3.49Å; V307-R311 PolarHBondContact O-N 2.73Å; R308-R311 PolarHBondContact O-N 3.02Å; A309-R311 PolarHBondContact O-N 3.03Å; R311-R314 PolarHBondContact O-N 3.21Å; R311-L315 HydrophobicContact CG-CD1 4.23Å; R311-L315 WeakPolarHBondContact O-CG 3.09Å; R311-L315 PolarHBondContact O-N 2.82Å |
| 312 | Q | 87.9 | Confident | 79.6 | Confident | 96 Ų | 96 | 108.6 Ų | 108.6 | 45% | 0.449 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 177.7 | -169.1 | 63.9 | 50.3 | 0 | 0 | 111.8 | R308 A309 N310 R314 L315 N316 | R308-Q312 WeakPolarHBondContact O-CB 3.39Å; R308-Q312 PolarHBondContact O-N 3.2Å; A309-Q312 PolarHBondContact O-N 2.89Å; N310-Q312 PolarHBondContact O-N 3.01Å; Q312-R314 VanDerWaalsContact C-N 3.34Å; Q312-R314 PolarHBondContact O-N 2.74Å; Q312-L315 PolarHBondContact O-N 2.89Å; Q312-N316 PolarHBondContact NE2-OD1 3.32Å; Q312-N316 WeakPolarHBondContact O-CB 3.29Å; Q312-N316 VanDerWaalsContact O-CG 3.25Å; Q312-N316 PolarHBondContact O-N 3.48Å; Q312-N316 PolarHBondContact O-OD1 3.45Å |
| 313 | T | 83.2 | Confident | 77.9 | Confident | 95 Ų | 95 | 111.4 Ų | 111.4 | 58% | 0.583 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.3 | -44.2 | 175.6 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | A309 N310 L315 N316 A317 | A309-T313 PolarHBondContact O-N 3.06Å; A309-T313 PolarHBondContact O-OG1 3.14Å; A309-T313 VanDerWaalsContact O-OG1 3.08Å; N310-T313 PolarHBondContact O-N 3.06Å; T313-L315 PolarHBondContact O-N 2.82Å; T313-N316 PolarHBondContact O-N 2.61Å; T313-A317 WeakPolarHBondContact O-CB 3.46Å; T313-A317 PolarHBondContact O-N 3.02Å |
| 314 | R | 81.5 | Confident | 76.1 | Confident | 139 Ų | 139 | 119.5 Ų | 119.5 | 53% | 0.525 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.2 | -34.4 | 176.7 | -70.1 | 178 | 71.2 | -115.7 | 9.5 | 113.2 | N310 R311 Q312 R318 | N310-R314 WeakPolarHBondContact O-CG 3.48Å; N310-R314 PolarHBondContact O-N 2.85Å; R311-R314 PolarHBondContact O-N 3.21Å; Q312-R314 VanDerWaalsContact C-N 3.34Å; Q312-R314 PolarHBondContact O-N 2.74Å; R314-R318 WeakPolarHBondContact O-CG 3.14Å; R314-R318 PolarHBondContact O-N 3.04Å |
| 315 | L | 76.4 | Confident | 73.9 | Confident | 79 Ų | 79 | 125.3 Ų | 125.3 | 41% | 0.414 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.4 | -48.5 | 173.6 | -71.6 | 170 | 0 | 0 | 0 | 111.1 | R311 Q312 T313 A317 R318 I319 | R311-L315 HydrophobicContact CG-CD1 4.23Å; R311-L315 WeakPolarHBondContact O-CG 3.09Å; R311-L315 PolarHBondContact O-N 2.82Å; Q312-L315 PolarHBondContact O-N 2.89Å; T313-L315 PolarHBondContact O-N 2.82Å; L315-A317 VanDerWaalsContact C-N 3.3Å; L315-A317 PolarHBondContact O-N 2.88Å; L315-R318 PolarHBondContact O-N 3.39Å; L315-I319 WeakPolarHBondContact O-CG1 3.2Å; L315-I319 PolarHBondContact O-N 2.94Å |
| 316 | N | 73.1 | Confident | 71.6 | Confident | 87 Ų | 87 | 131.4 Ų | 131.4 | 47% | 0.465 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -60.5 | -38.8 | 178.8 | -68.3 | -0.8 | 0 | 0 | 0 | 111.9 | Q312 T313 R318 I319 G320 | Q312-N316 PolarHBondContact NE2-OD1 3.32Å; Q312-N316 WeakPolarHBondContact O-CB 3.29Å; Q312-N316 VanDerWaalsContact O-CG 3.25Å; Q312-N316 PolarHBondContact O-N 3.48Å; Q312-N316 PolarHBondContact O-OD1 3.45Å; T313-N316 PolarHBondContact O-N 2.61Å; N316-R318 VanDerWaalsContact C-N 3.32Å; N316-R318 PolarHBondContact O-N 3.2Å; N316-I319 PolarHBondContact O-N 2.97Å; N316-G320 PolarHBondContact O-N 3.11Å |
| 317 | A | 68.7 | Low | 69.4 | Low | 58 Ų | 58 | 131.7 Ų | 131.7 | 48% | 0.479 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -64.9 | -30.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T313 L315 | T313-A317 WeakPolarHBondContact O-CB 3.46Å; T313-A317 PolarHBondContact O-N 3.02Å; L315-A317 VanDerWaalsContact C-N 3.3Å; L315-A317 PolarHBondContact O-N 2.88Å |
| 318 | R | 64.8 | Low | 66.8 | Low | 148 Ų | 148 | 134.8 Ų | 134.8 | 56% | 0.558 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.6 | -44.8 | 172.3 | -67.3 | 174.1 | -167.3 | -163.9 | 0.9 | 111.3 | R314 L315 N316 G320 K321 M322 | R314-R318 WeakPolarHBondContact O-CG 3.14Å; R314-R318 PolarHBondContact O-N 3.04Å; L315-R318 PolarHBondContact O-N 3.39Å; N316-R318 VanDerWaalsContact C-N 3.32Å; N316-R318 PolarHBondContact O-N 3.2Å; R318-G320 VanDerWaalsContact C-N 3.32Å; R318-G320 PolarHBondContact O-N 3.27Å; R318-K321 PolarHBondContact O-N 2.98Å; R318-K321 VanDerWaalsContact O-N 3.16Å; R318-M322 PolarHBondContact O-N 3.02Å |
| 319 | I | 63.5 | Low | 64.1 | Low | 112 Ų | 112 | 135.9 Ų | 135.9 | 57% | 0.574 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.7 | -42.2 | 178.6 | -66.5 | 163.7 | 0 | 0 | 0 | 110.9 | L315 N316 K321 M322 K323 | L315-I319 WeakPolarHBondContact O-CG1 3.2Å; L315-I319 PolarHBondContact O-N 2.94Å; N316-I319 PolarHBondContact O-N 2.97Å; I319-K321 VanDerWaalsContact C-N 3.32Å; I319-K321 PolarHBondContact O-N 3.41Å; I319-M322 PolarHBondContact O-N 2.76Å; I319-K323 PolarHBondContact O-N 3.28Å |
| 320 | G | 56.8 | Low | 61.5 | Low | 43 Ų | 43 | 136.6 Ų | 136.6 | 44% | 0.443 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -61.3 | -33.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | N316 R318 | N316-G320 PolarHBondContact O-N 3.11Å; R318-G320 VanDerWaalsContact C-N 3.32Å; R318-G320 PolarHBondContact O-N 3.27Å |
| 321 | K | 54.8 | Low | 58.9 | Low | 170 Ų | 170 | 141.1 Ų | 141.1 | 74% | 0.739 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74.6 | -29.6 | 177.6 | -72 | -175.1 | 179.2 | -170.2 | 0 | 113.2 | R318 I319 | R318-K321 PolarHBondContact O-N 2.98Å; R318-K321 VanDerWaalsContact O-N 3.16Å; I319-K321 VanDerWaalsContact C-N 3.32Å; I319-K321 PolarHBondContact O-N 3.41Å |
| 322 | M | 49.3 | Very low | 56.1 | Low | 150 Ų | 150 | 143.1 Ų | 143.1 | 74% | 0.739 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -81.2 | -30 | 178.8 | -53.7 | -142.4 | 80.7 | 0 | 0 | 112.7 | R318 I319 R324 R325 | R318-M322 PolarHBondContact O-N 3.02Å; I319-M322 PolarHBondContact O-N 2.76Å; M322-R324 PolarHBondContact O-N 2.86Å; M322-R325 PolarHBondContact O-N 3Å |
| 323 | K | 52.6 | Low | 53.5 | Low | 163 Ų | 163 | 145.9 Ų | 145.9 | 71% | 0.709 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -67.3 | -33.5 | 176.7 | -168.1 | 173.3 | 179.1 | -178.9 | 0 | 113.1 | I319 R325 K326 | I319-K323 PolarHBondContact O-N 3.28Å; K323-R325 PolarHBondContact O-N 3.44Å; K323-K326 PolarHBondContact O-N 3.44Å |
| 324 | R | 50.1 | Low | 50.9 | Low | 232 Ų | 232 | 144.5 Ų | 144.5 | 88% | 0.875 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | -9.3 | 176.9 | -85.4 | -169.3 | 174.9 | -177 | -1.2 | 115.2 | M322 | M322-R324 PolarHBondContact O-N 2.86Š|
| 325 | R | 47 | Very low | 48.3 | Very low | 234 Ų | 234 | 143.7 Ų | 143.7 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 6.3 | 175.8 | -92 | -172 | 173 | -175.6 | -2.8 | 114.2 | M322 K323 | M322-R325 PolarHBondContact O-N 3Å; K323-R325 PolarHBondContact O-N 3.44Å |
| 326 | K | 44.6 | Very low | 45.8 | Very low | 193 Ų | 193 | 144.2 Ų | 144.2 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -121.4 | 28.4 | -175.6 | -150.2 | -163.8 | 176.5 | -173.7 | 0 | 113.9 | K323 | K323-K326 PolarHBondContact O-N 3.44Š|
| 327 | Q | 46.6 | Very low | 43.6 | Very low | 185 Ų | 185 | 148.3 Ų | 148.3 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -146.4 | 46.6 | 175.4 | -160.6 | -178.4 | -2 | 0 | 0 | 110.7 | ||
| 328 | D | 40.8 | Very low | 41.9 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -147.6 | 60.1 | 168.6 | -166.8 | 35.4 | 0 | 0 | 0 | 109.9 | ||
| 329 | E | 36.3 | Very low | 40.5 | Very low | 187 Ų | 187 | 149.6 Ų | 149.6 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -156.1 | 125.3 | 154.3 | -98.5 | -154.3 | 116.2 | 0 | 0 | 108.3 | ||
| 330 | G | 33.9 | Very low | 39 | Very low | 72 Ų | 72 | 151.3 Ų | 151.3 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 94.6 | 90.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 331 | Q | 33.4 | Very low | 38 | Very low | 194 Ų | 194 | 156.6 Ų | 156.6 | 91% | 0.907 | 79% | 0.785 | S | S | * | * | -163.8 | 110.1 | 122.2 | -155.1 | 81.8 | -3.1 | 0 | 0 | 110.8 | |||||
| 332 | R | 32.3 | Very low | 37.1 | Very low | 215 Ų | 215 | 153 Ų | 153 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -122 | 135.9 | 161.6 | -152.8 | -150.7 | -172.8 | -155.8 | 11.9 | 102.2 | ||||
| 333 | E | 32.7 | Very low | 37 | Very low | 153 Ų | 153 | 152.2 Ų | 152.2 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | cis | -147 | 171.4 | 29.5 | -68.2 | 163.6 | 162.1 | 0 | 0 | 107.3 | ||||
| 334 | G | 28.9 | Very low | 36.2 | Very low | 67 Ų | 67 | 151.1 Ų | 151.1 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | cis | 168.9 | -174.2 | 0.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 335 | S | 26.9 | Very low | 36 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | 71.8 | 139 | 171.6 | -137.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 336 | C | 24 | Very low | 35.5 | Very low | 89 Ų | 89 | 144.8 Ų | 144.8 | 60% | 0.601 | 79% | 0.786 | S | S | * | * | cis | -173.1 | 161.2 | -11.5 | 47.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 337 | M | 28.3 | Very low | 35.5 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | trans | 66.4 | 150.2 | 166.5 | -46.7 | -42.5 | 177.7 | 0 | 0 | 116.1 | ||||
| 338 | A | 32.9 | Very low | 35 | Very low | 76 Ų | 76 | 144.1 Ų | 144.1 | 63% | 0.628 | 79% | 0.786 | S | S | * | * | cis | -155.5 | 175.6 | -10 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 339 | E | 34.6 | Very low | 35.2 | Very low | 157 Ų | 157 | 144 Ų | 144 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -44.3 | 160.7 | 158.1 | 52.5 | -96.3 | 76.1 | 0 | 0 | 113.4 | ||||
| 340 | D | 32.1 | Very low | 35.3 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | cis | -166.3 | -179.1 | 41.7 | -129.7 | -29.5 | 0 | 0 | 0 | 113.3 | ||||
| 341 | D | 35.9 | Very low | 36.2 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -56.6 | 145.6 | 171.7 | -91.8 | -56.7 | 0 | 0 | 0 | 115.3 | ||||
| 342 | A | 36.3 | Very low | 37.3 | Very low | 94 Ų | 94 | 145 Ų | 145 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | trans | -169.6 | 131.4 | 133.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 343 | V | 46.1 | Very low | 38.7 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -85.2 | 127.4 | 163.9 | -156.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 344 | D | 36 | Very low | 40.1 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | trans | -130.7 | 131.6 | 167 | -160.7 | 4.7 | 0 | 0 | 0 | 110.4 | ||||
| 345 | I | 45.5 | Very low | 42.4 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | trans | -117 | 87.6 | -179.7 | -59 | 175.8 | 0 | 0 | 0 | 106.6 | ||||
| 346 | E | 37 | Very low | 44.7 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 70% | 0.699 | S | S | * | * | trans | -128.8 | 146.8 | 160.3 | -71.8 | -150.8 | -161.4 | 0 | 0 | 112.6 | ||||
| 347 | H | 45.6 | Very low | 47.5 | Very low | 181 Ų | 181 | 137.3 Ų | 137.3 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | trans | -96.6 | 102 | -162.1 | 164.8 | -165.4 | 0 | 0 | 0 | 109.6 | ||||
| 348 | E | 35 | Very low | 49.5 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 86% | 0.86 | 68% | 0.684 | S | S | * | * | trans | -124.9 | 130.7 | 160.9 | -85.5 | -146.2 | 124 | 0 | 0 | 113.4 | N350 | E348-N350 PolarHBondContact O-N 3.24Å; E348-N350 VanDerWaalsContact O-N 3.07Å | ||
| 349 | N | 46.4 | Very low | 51.1 | Low | 151 Ų | 151 | 138.2 Ų | 138.2 | 81% | 0.807 | 69% | 0.69 | S | S | * | * | trans | -56.2 | 101.8 | 170.3 | 167 | 61.9 | 0 | 0 | 0 | 111.1 | ||||
| 350 | N | 38.2 | Very low | 52.9 | Low | 138 Ų | 138 | 133.7 Ų | 133.7 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | trans | -136.4 | 110.5 | 173.8 | -157.6 | -10.2 | 0 | 0 | 0 | 110.8 | E348 R352 | E348-N350 PolarHBondContact O-N 3.24Å; E348-N350 VanDerWaalsContact O-N 3.07Å; N350-R352 VanDerWaalsContact C-N 3.34Å; N350-R352 PolarHBondContact O-N 2.98Å | ||
| 351 | N | 52.9 | Low | 53.7 | Low | 98 Ų | 98 | 132.5 Ų | 132.5 | 52% | 0.524 | 68% | 0.676 | S | S | . | * | trans | -61.9 | 96.1 | 171.2 | -93.2 | -6 | 0 | 0 | 0 | 108.8 | F353 | N351-F353 HydrophobicContact CB-CD1 4.44Å; N351-F353 HydrophobicContact CB-CD2 4.3Å; N351-F353 HydrophobicContact CB-CE1 3.88Å; N351-F353 HydrophobicContact CB-CE2 3.73Å; N351-F353 HydrophobicContact CB-CZ 3.5Å; N351-F353 WeakPolarHBondContact O-CD2 3.26Å; N351-F353 PolarHBondContact O-N 3.45Å | ||
| 352 | R | 55.1 | Low | 56 | Low | 237 Ų | 237 | 131.2 Ų | 131.2 | 89% | 0.894 | 66% | 0.663 | S | S | * | * | trans | -72.2 | 74.9 | 176.2 | -172.2 | 176.1 | 175.3 | 157.7 | -0.8 | 110.1 | N350 E354 | N350-R352 VanDerWaalsContact C-N 3.34Å; N350-R352 PolarHBondContact O-N 2.98Å; R352-E354 PolarHBondContact O-N 3.25Å | ||
| 353 | F | 61.4 | Low | 58 | Low | 85 Ų | 85 | 132.6 Ų | 132.6 | 37% | 0.373 | 65% | 0.648 | S | S | . | * | trans | -55.6 | 122.2 | 170.2 | -59.6 | -61.3 | 0 | 0 | 0 | 109 | N351 E355 I364 T368 L369 | N351-F353 HydrophobicContact CB-CD1 4.44Å; N351-F353 HydrophobicContact CB-CD2 4.3Å; N351-F353 HydrophobicContact CB-CE1 3.88Å; N351-F353 HydrophobicContact CB-CE2 3.73Å; N351-F353 HydrophobicContact CB-CZ 3.5Å; N351-F353 WeakPolarHBondContact O-CD2 3.26Å; N351-F353 PolarHBondContact O-N 3.45Å; F353-E355 PolarHBondContact O-N 2.83Å; F353-I364 HydrophobicContact CB-CD1 4.03Å; F353-I364 HydrophobicContact CB-CG1 4.19Å; F353-I364 HydrophobicContact CB-CG2 3.79Å; F353-I364 HydrophobicContact CD1-CG2 4.43Å; F353-I364 HydrophobicContact CG-CD1 4.35Å; F353-I364 HydrophobicContact CG-CG2 4.4Å; F353-T368 WeakPolarHBondContact CD1-O 3.36Å; F353-L369 HydrophobicContact CD1-CD2 3.75Å; F353-L369 HydrophobicContact CE1-CD2 3.76Å | ||
| 354 | E | 63 | Low | 59.6 | Low | 91 Ų | 91 | 129.5 Ų | 129.5 | 43% | 0.425 | 63% | 0.626 | S | S | . | * | trans | -82.1 | 94.2 | -175.2 | -164.4 | -174.9 | -171 | 0 | 0 | 109.1 | R352 R365 T368 | R352-E354 PolarHBondContact O-N 3.25Å; E354-R365 WeakPolarHBondContact O-CG 3.37Å; E354-R365 PolarHBondContact O-N 2.86Å; E354-R365 IonicContact OE1-CZ 2.76Å; E354-R365 IonicContact OE1-NH1 3.81Å; E354-R365 PolarHBondContact OE1-NH1 3.22Å; E354-R365 IonicContact OE1-NH2 3.46Å; E354-R365 WeakPolarHBondContact OE2-CD 3.28Å; E354-R365 IonicContact OE2-CZ 2.71Å; E354-R365 IonicContact OE2-NE 2.6Å; E354-R365 IonicContact OE2-NH1 3.28Å; E354-R365 PolarHBondContact OE2-NH1 3.3Å; E354-T368 HydrophobicContact CB-CG2 3.64Å; E354-T368 PolarHBondContact N-OG1 3.15Å | ||
| 355 | E | 76.4 | Confident | 61.5 | Low | 101 Ų | 101 | 127.5 Ų | 127.5 | 47% | 0.472 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.5 | 132.5 | 179.9 | -159.6 | 177.4 | -143.4 | 0 | 0 | 110.9 | F353 K362 R363 I364 | F353-E355 PolarHBondContact O-N 2.83Å; E355-K362 VanDerWaalsContact CD-CB 3.43Å; E355-K362 HydrophobicContact CG-CB 3.83Å; E355-K362 HydrophobicContact CG-CD 4.37Å; E355-K362 WeakPolarHBondContact OE1-CB 3.4Å; E355-K362 WeakPolarHBondContact OE2-CD 3.4Å; E355-K362 IonicContact OE2-NZ 3.67Å; E355-R363 CarbonylContact C-O 3.59Å; E355-R363 WeakPolarHBondContact CA-O 3.3Å; E355-I364 HydrophobicContact CB-CG1 4.48Å; E355-I364 HydrophobicContact CG-CG1 4.29Å |
| 356 | Y | 75.8 | Confident | 62.6 | Low | 92 Ų | 92 | 123.6 Ų | 123.6 | 36% | 0.361 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.9 | 144 | 174.9 | 73.9 | -74.9 | 0 | 0 | 0 | 110.1 | W358 R363 R365 | Y356-W358 HydrophobicContact CE2-CB 4.32Å; Y356-R363 WeakPolarHBondContact CD1-O 3.33Å; Y356-R363 HydrophobicContact CE1-CB 4.11Å; Y356-R363 PolarHBondContact N-O 3.43Å; Y356-R363 PolarHBondContact O-N 3.38Å; Y356-R363 VanDerWaalsContact O-O 3.11Å; Y356-R365 HydrophobicContact CD1-CG 3.44Å; Y356-R365 VanDerWaalsContact CD1-CG 3.44Å; Y356-R365 HydrophobicContact CE1-CG 3.68Å; Y356-R365 HydrophobicContact CG-CG 4.43Å |
| 357 | E | 82.1 | Confident | 63.9 | Low | 117 Ų | 117 | 117.9 Ų | 117.9 | 55% | 0.547 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.7 | 131.1 | -177.7 | -163.8 | 169.1 | 161.3 | 0 | 0 | 111.3 | G360 K362 | E357-G360 VanDerWaalsContact OE1-CA 3.27Å; E357-G360 WeakPolarHBondContact OE1-CA 3.03Å; E357-K362 HydrophobicContact CB-CG 4.45Å; E357-K362 HydrophobicContact CG-CG 4.22Å |
| 358 | W | 70.9 | Confident | 64.8 | Low | 158 Ų | 158 | 111 Ų | 111 | 60% | 0.598 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 117.9 | 175.9 | -173.8 | -93.9 | 0 | 0 | 0 | 110.3 | Y356 G360 Q361 | Y356-W358 HydrophobicContact CE2-CB 4.32Å; W358-G360 PolarHBondContact O-N 3.38Å; W358-Q361 PolarHBondContact N-O 2.9Å; W358-Q361 PolarHBondContact O-N 2.98Å |
| 359 | C | 66.1 | Low | 66.2 | Low | 110 Ų | 110 | 107.3 Ų | 107.3 | 74% | 0.743 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 41.5 | -176.4 | -61.7 | 0 | 0 | 0 | 0 | 114.3 | Q361 | C359-Q361 PolarHBondContact O-N 2.89Š|
| 360 | G | 72.8 | Confident | 66.8 | Low | 63 Ų | 63 | 104.6 Ų | 104.6 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 3.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E357 W358 | E357-G360 VanDerWaalsContact OE1-CA 3.27Å; E357-G360 WeakPolarHBondContact OE1-CA 3.03Å; W358-G360 PolarHBondContact O-N 3.38Å |
| 361 | Q | 49.7 | Very low | 67.5 | Low | 123 Ų | 123 | 107.2 Ų | 107.2 | 58% | 0.575 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121.5 | 177.2 | -169.1 | 174.5 | 3.5 | 0 | 0 | 109.5 | W358 C359 | W358-Q361 PolarHBondContact N-O 2.9Å; W358-Q361 PolarHBondContact O-N 2.98Å; C359-Q361 PolarHBondContact O-N 2.89Å |
| 362 | K | 83.4 | Confident | 67.9 | Low | 126 Ų | 126 | 105.6 Ų | 105.6 | 55% | 0.548 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 142.4 | 176.1 | -57.4 | -163.3 | -177.4 | -178.1 | 0 | 111.4 | E355 E357 | E355-K362 VanDerWaalsContact CD-CB 3.43Å; E355-K362 HydrophobicContact CG-CB 3.83Å; E355-K362 HydrophobicContact CG-CD 4.37Å; E355-K362 WeakPolarHBondContact OE1-CB 3.4Å; E355-K362 WeakPolarHBondContact OE2-CD 3.4Å; E355-K362 IonicContact OE2-NZ 3.67Å; E357-K362 HydrophobicContact CB-CG 4.45Å; E357-K362 HydrophobicContact CG-CG 4.22Å |
| 363 | R | 79 | Confident | 68.3 | Low | 122 Ų | 122 | 95.2 Ų | 95.2 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 138.5 | -177.2 | -62.1 | -176.2 | -179.8 | -154.8 | -4.6 | 109.8 | E355 Y356 | E355-R363 CarbonylContact C-O 3.59Å; E355-R363 WeakPolarHBondContact CA-O 3.3Å; Y356-R363 WeakPolarHBondContact CD1-O 3.33Å; Y356-R363 HydrophobicContact CE1-CB 4.11Å; Y356-R363 PolarHBondContact N-O 3.43Å; Y356-R363 PolarHBondContact O-N 3.38Å; Y356-R363 VanDerWaalsContact O-O 3.11Å |
| 364 | I | 79.6 | Confident | 67.9 | Low | 71 Ų | 71 | 96 Ų | 96 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 137.2 | 176.4 | -65.5 | 168.6 | 0 | 0 | 0 | 110 | F353 E355 A366 L369 | F353-I364 HydrophobicContact CB-CD1 4.03Å; F353-I364 HydrophobicContact CB-CG1 4.19Å; F353-I364 HydrophobicContact CB-CG2 3.79Å; F353-I364 HydrophobicContact CD1-CG2 4.43Å; F353-I364 HydrophobicContact CG-CD1 4.35Å; F353-I364 HydrophobicContact CG-CG2 4.4Å; E355-I364 HydrophobicContact CB-CG1 4.48Å; E355-I364 HydrophobicContact CG-CG1 4.29Å; I364-A366 PolarHBondContact O-N 2.87Å; I364-L369 HydrophobicContact CG2-CD1 4.17Å; I364-L369 HydrophobicContact CG2-CD2 3.9Å; I364-L369 HydrophobicContact CG2-CG 3.75Å |
| 365 | R | 74.9 | Confident | 67.7 | Low | 97 Ų | 97 | 100.5 Ų | 100.5 | 37% | 0.366 | 52% | 0.515 | S | S | . | . | trans | -67.7 | 123 | 171.2 | -68.7 | -176 | -171.7 | 152.6 | 12.9 | 110.2 | E354 Y356 T367 T368 | E354-R365 WeakPolarHBondContact O-CG 3.37Å; E354-R365 PolarHBondContact O-N 2.86Å; E354-R365 IonicContact OE1-CZ 2.76Å; E354-R365 IonicContact OE1-NH1 3.81Å; E354-R365 PolarHBondContact OE1-NH1 3.22Å; E354-R365 IonicContact OE1-NH2 3.46Å; E354-R365 WeakPolarHBondContact OE2-CD 3.28Å; E354-R365 IonicContact OE2-CZ 2.71Å; E354-R365 IonicContact OE2-NE 2.6Å; E354-R365 IonicContact OE2-NH1 3.28Å; E354-R365 PolarHBondContact OE2-NH1 3.3Å; Y356-R365 HydrophobicContact CD1-CG 3.44Å; Y356-R365 VanDerWaalsContact CD1-CG 3.44Å; Y356-R365 HydrophobicContact CE1-CG 3.68Å; Y356-R365 HydrophobicContact CG-CG 4.43Å; R365-T367 PolarHBondContact O-N 2.75Å; R365-T368 PolarHBondContact O-N 2.84Å; R365-T368 PolarHBondContact O-OG1 3.24Å | ||
| 366 | A | 69 | Low | 66.7 | Low | 72 Ų | 72 | 98.3 Ų | 98.3 | 60% | 0.595 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -53.6 | -30.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I364 T368 L369 | I364-A366 PolarHBondContact O-N 2.87Å; A366-T368 PolarHBondContact O-N 3.32Å; A366-L369 PolarHBondContact O-N 3.5Å |
| 367 | T | 63.6 | Low | 65.9 | Low | 59 Ų | 59 | 96.5 Ų | 96.5 | 36% | 0.362 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -64.9 | -12.2 | 175 | 53 | 0 | 0 | 0 | 0 | 114.8 | R365 G373 F374 | R365-T367 PolarHBondContact O-N 2.75Å; T367-G373 WeakPolarHBondContact O-CA 3.46Å; T367-F374 HydrophobicContact CG2-CD2 3.93Å |
| 368 | T | 66.1 | Low | 64.7 | Low | 37 Ų | 37 | 94 Ų | 94 | 23% | 0.227 | 53% | 0.527 | C | S | . | . | G | 310 helix | trans | -109.1 | -5.9 | 176.4 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | F353 E354 R365 A366 L370 | F353-T368 WeakPolarHBondContact CD1-O 3.36Å; E354-T368 HydrophobicContact CB-CG2 3.64Å; E354-T368 PolarHBondContact N-OG1 3.15Å; R365-T368 PolarHBondContact O-N 2.84Å; R365-T368 PolarHBondContact O-OG1 3.24Å; A366-T368 PolarHBondContact O-N 3.32Å; T368-L370 VanDerWaalsContact C-N 3.28Å |
| 369 | L | 63.3 | Low | 63.7 | Low | 106 Ų | 106 | 93 Ų | 93 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -82.3 | -9.4 | 169.4 | -68.8 | 169.7 | 0 | 0 | 0 | 112.5 | F353 I364 A366 | F353-L369 HydrophobicContact CD1-CD2 3.75Å; F353-L369 HydrophobicContact CE1-CD2 3.76Å; I364-L369 HydrophobicContact CG2-CD1 4.17Å; I364-L369 HydrophobicContact CG2-CD2 3.9Å; I364-L369 HydrophobicContact CG2-CG 3.75Å; A366-L369 PolarHBondContact O-N 3.5Å |
| 370 | L | 58.7 | Low | 63.2 | Low | 94 Ų | 94 | 95 Ų | 95 | 49% | 0.492 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -93.6 | 123.8 | 175.3 | -74.6 | 152.5 | 0 | 0 | 0 | 109.4 | T368 G372 G373 | T368-L370 VanDerWaalsContact C-N 3.28Å; L370-G372 PolarHBondContact O-N 3.49Å; L370-G373 WeakPolarHBondContact O-CA 3.42Å; L370-G373 PolarHBondContact O-N 3.42Å |
| 371 | E | 53.2 | Low | 61.9 | Low | 192 Ų | 192 | 96.6 Ų | 96.6 | 90% | 0.897 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 122 | 173.9 | -163.4 | 169.3 | -179.2 | 0 | 0 | 109.6 | ||
| 372 | G | 62.7 | Low | 61.5 | Low | 64 Ų | 64 | 96.5 Ų | 96.5 | 66% | 0.66 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.4 | 0.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L370 G376 | L370-G372 PolarHBondContact O-N 3.49Å; G372-G376 PolarHBondContact O-N 3.29Å; G372-G376 VanDerWaalsContact O-N 3.16Å |
| 373 | G | 62.9 | Low | 59.7 | Low | 20 Ų | 20 | 95 Ų | 95 | 21% | 0.206 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | 62.8 | -159.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | T367 L370 R375 G376 S377 | T367-G373 WeakPolarHBondContact O-CA 3.46Å; L370-G373 WeakPolarHBondContact O-CA 3.42Å; L370-G373 PolarHBondContact O-N 3.42Å; G373-R375 PolarHBondContact O-N 3.27Å; G373-R375 VanDerWaalsContact O-N 3.16Å; G373-G376 PolarHBondContact O-N 2.68Å; G373-S377 PolarHBondContact O-N 2.73Å |
| 374 | F | 53.2 | Low | 58.5 | Low | 102 Ų | 102 | 92.9 Ų | 92.9 | 45% | 0.447 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.3 | -27.6 | -177 | -167.6 | -101.9 | 0 | 0 | 0 | 113.7 | T367 S377 F379 | T367-F374 HydrophobicContact CG2-CD2 3.93Å; F374-S377 WeakPolarHBondContact O-CB 3.37Å; F374-S377 PolarHBondContact O-N 3.48Å; F374-F379 HydrophobicContact CE1-CB 4.01Å; F374-F379 HydrophobicContact CE2-CD2 4.4Å; F374-F379 HydrophobicContact CZ-CB 3.97Å; F374-F379 HydrophobicContact CZ-CD2 4.36Å; F374-F379 HydrophobicContact CZ-CG 4.1Å |
| 375 | R | 57.9 | Low | 56.8 | Low | 184 Ų | 184 | 98.1 Ų | 98.1 | 69% | 0.694 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -74.6 | -30.1 | 174.8 | -68.1 | -170.5 | -176.8 | -86.3 | 2.9 | 113 | G373 S377 M381 | G373-R375 PolarHBondContact O-N 3.27Å; G373-R375 VanDerWaalsContact O-N 3.16Å; R375-S377 PolarHBondContact O-N 3.3Å; R375-M381 HydrophobicContact CG-SD 4.43Å; R375-M381 VanDerWaalsContact CZ-SD 3.56Å |
| 376 | G | 55.9 | Low | 55.6 | Low | 56 Ų | 56 | 101.9 Ų | 101.9 | 58% | 0.577 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -68.8 | -17 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114 | G372 G373 G378 | G372-G376 PolarHBondContact O-N 3.29Å; G372-G376 VanDerWaalsContact O-N 3.16Å; G373-G376 PolarHBondContact O-N 2.68Å; G376-G378 VanDerWaalsContact C-N 3.28Å; G376-G378 PolarHBondContact O-N 2.94Å |
| 377 | S | 59.3 | Low | 54.5 | Low | 53 Ų | 53 | 104.4 Ų | 104.4 | 37% | 0.371 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.5 | 0.1 | -177.7 | -172.5 | 0 | 0 | 0 | 0 | 115.1 | G373 F374 R375 F379 | G373-S377 PolarHBondContact O-N 2.73Å; F374-S377 WeakPolarHBondContact O-CB 3.37Å; F374-S377 PolarHBondContact O-N 3.48Å; R375-S377 PolarHBondContact O-N 3.3Å; S377-F379 PolarHBondContact O-N 3.1Å |
| 378 | G | 57.3 | Low | 54.1 | Low | 66 Ų | 66 | 107.6 Ų | 107.6 | 68% | 0.68 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.9 | 8.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | G376 I380 | G376-G378 VanDerWaalsContact C-N 3.28Å; G376-G378 PolarHBondContact O-N 2.94Å; G378-I380 PolarHBondContact O-N 2.96Å |
| 379 | F | 48.4 | Very low | 53.7 | Low | 135 Ų | 135 | 113 Ų | 113 | 59% | 0.592 | 65% | 0.648 | S | S | * | * | trans | -72.2 | 121 | 170.1 | -84.9 | -84.6 | 0 | 0 | 0 | 110 | F374 S377 M381 | F374-F379 HydrophobicContact CE1-CB 4.01Å; F374-F379 HydrophobicContact CE2-CD2 4.4Å; F374-F379 HydrophobicContact CZ-CB 3.97Å; F374-F379 HydrophobicContact CZ-CD2 4.36Å; F374-F379 HydrophobicContact CZ-CG 4.1Å; S377-F379 PolarHBondContact O-N 3.1Å; F379-M381 PolarHBondContact O-N 3.12Å | ||
| 380 | I | 56 | Low | 53.2 | Low | 152 Ų | 152 | 112 Ų | 112 | 78% | 0.779 | 65% | 0.651 | S | S | * | * | trans | -65.2 | 104.5 | 175.5 | -62 | 171.8 | 0 | 0 | 0 | 108.4 | G378 C382 | G378-I380 PolarHBondContact O-N 2.96Å; I380-C382 PolarHBondContact O-N 3.5Å | ||
| 381 | M | 45.4 | Very low | 53.2 | Low | 97 Ų | 97 | 115.1 Ų | 115.1 | 48% | 0.478 | 67% | 0.668 | S | S | . | * | trans | -76.2 | 114.7 | 154.9 | -64 | -167.3 | 77.5 | 0 | 0 | 106.6 | R375 F379 S383 | R375-M381 HydrophobicContact CG-SD 4.43Å; R375-M381 VanDerWaalsContact CZ-SD 3.56Å; F379-M381 PolarHBondContact O-N 3.12Å; M381-S383 PolarHBondContact O-N 3.37Å | ||
| 382 | C | 41.8 | Very low | 53.7 | Low | 122 Ų | 122 | 109.8 Ų | 109.8 | 82% | 0.824 | 66% | 0.656 | S | S | * | * | trans | -65.6 | 83.1 | 166.2 | -59.8 | 0 | 0 | 0 | 0 | 108.5 | I380 G384 | I380-C382 PolarHBondContact O-N 3.5Å; C382-G384 PolarHBondContact O-N 3.25Å | ||
| 383 | S | 45.5 | Very low | 53.9 | Low | 94 Ų | 94 | 114.1 Ų | 114.1 | 66% | 0.657 | 66% | 0.664 | S | S | * | * | trans | -61.7 | 106 | 158.1 | 52.1 | 0 | 0 | 0 | 0 | 105.9 | M381 K385 | M381-S383 PolarHBondContact O-N 3.37Å; S383-K385 PolarHBondContact O-N 2.76Å | ||
| 384 | G | 53 | Low | 53.9 | Low | 78 Ų | 78 | 120.2 Ų | 120.2 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | -56.3 | 101.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109 | C382 | C382-G384 PolarHBondContact O-N 3.25Š| ||
| 385 | K | 44 | Very low | 54.3 | Low | 180 Ų | 180 | 122 Ų | 122 | 78% | 0.783 | 71% | 0.705 | S | S | * | * | trans | -78.2 | 127.4 | 152.7 | -75 | -171.9 | 173.4 | -174.6 | 0 | 105.5 | S383 N387 | S383-K385 PolarHBondContact O-N 2.76Å; K385-N387 PolarHBondContact O-N 2.97Å | ||
| 386 | E | 50.8 | Low | 54.6 | Low | 177 Ų | 177 | 119.5 Ų | 119.5 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | trans | -48.7 | 104.6 | 168.2 | 56.6 | -129.3 | 115 | 0 | 0 | 110.8 | P388 | E386-P388 WeakPolarHBondContact O-CD 3.34Š| ||
| 387 | N | 45.2 | Very low | 54.9 | Low | 124 Ų | 124 | 124.1 Ų | 124.1 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | trans | -94.9 | 103 | 157.1 | -110.3 | 12.8 | 0 | 0 | 0 | 105 | K385 D389 | K385-N387 PolarHBondContact O-N 2.97Å; N387-D389 PolarHBondContact O-N 3.43Å | ||
| 388 | P | 56 | Low | 54.9 | Low | 127 Ų | 127 | 123.2 Ų | 123.2 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 22.4 | -178.8 | 33.2 | -37.3 | 0 | 0 | 0 | 113.2 | E386 | E386-P388 WeakPolarHBondContact O-CD 3.34Š|
| 389 | D | 56.8 | Low | 55.3 | Low | 149 Ų | 149 | 125.3 Ų | 125.3 | 80% | 0.797 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | 33.9 | -171.8 | -158.5 | 24.5 | 0 | 0 | 0 | 110.5 | N387 | N387-D389 PolarHBondContact O-N 3.43Š|
| 390 | S | 54.3 | Low | 56.4 | Low | 87 Ų | 87 | 122.8 Ų | 122.8 | 61% | 0.608 | 71% | 0.709 | S | S | * | * | trans | -142.3 | 17.6 | 176.6 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 391 | D | 57.6 | Low | 57.4 | Low | 159 Ų | 159 | 117.4 Ų | 117.4 | 85% | 0.85 | 68% | 0.683 | S | S | * | * | trans | -95.9 | 30.1 | 166.6 | -113.6 | 14.9 | 0 | 0 | 0 | 109.8 | D393 | D391-D393 VanDerWaalsContact C-N 3.31Å; D391-D393 PolarHBondContact O-N 3.17Å | ||
| 392 | A | 63.3 | Low | 58.8 | Low | 79 Ų | 79 | 120.9 Ų | 120.9 | 65% | 0.653 | 70% | 0.703 | S | S | * | * | trans | -70.2 | 94.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | L394 | A392-L394 PolarHBondContact O-N 2.71Š| ||
| 393 | D | 67.3 | Low | 60.8 | Low | 155 Ų | 155 | 121.5 Ų | 121.5 | 83% | 0.829 | 69% | 0.694 | S | S | * | * | trans | -47.3 | 106.4 | 165.5 | -75.2 | -42.8 | 0 | 0 | 0 | 107.8 | D391 D395 | D391-D393 VanDerWaalsContact C-N 3.31Å; D391-D393 PolarHBondContact O-N 3.17Å; D393-D395 PolarHBondContact O-N 3.5Å; D393-D395 VanDerWaalsContact O-N 3.12Å | ||
| 394 | L | 62.4 | Low | 62.6 | Low | 149 Ų | 149 | 120.3 Ų | 120.3 | 78% | 0.78 | 68% | 0.675 | S | S | * | * | trans | -68.8 | 112.1 | 171.5 | -64.8 | 178.5 | 0 | 0 | 0 | 105.7 | A392 V396 | A392-L394 PolarHBondContact O-N 2.71Å; L394-V396 HydrophobicContact CB-CG2 4.35Å; L394-V396 WeakPolarHBondContact O-CG2 3.45Å; L394-V396 PolarHBondContact O-N 3.15Å | ||
| 395 | D | 62.8 | Low | 64.2 | Low | 138 Ų | 138 | 118.1 Ų | 118.1 | 74% | 0.738 | 65% | 0.653 | S | S | * | * | trans | -69.3 | 78.3 | 178.3 | -126.2 | -10.4 | 0 | 0 | 0 | 108.7 | D393 D397 G398 | D393-D395 PolarHBondContact O-N 3.5Å; D393-D395 VanDerWaalsContact O-N 3.12Å; D395-D397 PolarHBondContact O-N 3.5Å; D395-G398 PolarHBondContact O-N 3.13Å | ||
| 396 | V | 63.1 | Low | 66.3 | Low | 132 Ų | 132 | 117.3 Ų | 117.3 | 80% | 0.8 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -21.8 | -180 | 173.9 | 0 | 0 | 0 | 0 | 111 | L394 G398 | L394-V396 HydrophobicContact CB-CG2 4.35Å; L394-V396 WeakPolarHBondContact O-CG2 3.45Å; L394-V396 PolarHBondContact O-N 3.15Å; V396-G398 VanDerWaalsContact C-N 3.29Å |
| 397 | D | 62.8 | Low | 68.3 | Low | 153 Ų | 153 | 112.5 Ų | 112.5 | 82% | 0.818 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 26.9 | 169.7 | -61.8 | -37.9 | 0 | 0 | 0 | 111.6 | D395 D399 | D395-D397 PolarHBondContact O-N 3.5Å; D397-D399 PolarHBondContact O-N 3.08Å |
| 398 | G | 60 | Low | 70.5 | Confident | 34 Ų | 34 | 111.2 Ų | 111.2 | 35% | 0.351 | 62% | 0.624 | S | S | . | * | trans | -51.4 | 124.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D395 V396 D400 | D395-G398 PolarHBondContact O-N 3.13Å; V396-G398 VanDerWaalsContact C-N 3.29Å; G398-D400 PolarHBondContact O-N 3.38Å | ||
| 399 | D | 64.8 | Low | 72.4 | Confident | 111 Ų | 111 | 105.7 Ų | 105.7 | 59% | 0.594 | 59% | 0.586 | S | S | * | * | trans | -71 | 93.6 | -178.3 | -178.1 | 15.2 | 0 | 0 | 0 | 110.7 | D397 T401 L402 | D397-D399 PolarHBondContact O-N 3.08Å; D399-T401 VanDerWaalsContact CG-CB 3.45Å; D399-T401 PolarHBondContact O-N 3.09Å; D399-T401 WeakPolarHBondContact OD1-CB 3.44Å; D399-T401 PolarHBondContact OD1-N 2.9Å; D399-T401 VanDerWaalsContact OD1-N 3.14Å; D399-T401 PolarHBondContact OD1-OG1 3.07Å; D399-T401 WeakPolarHBondContact OD2-CB 3.2Å; D399-T401 PolarHBondContact OD2-OG1 3.26Å; D399-L402 PolarHBondContact O-N 3.07Å | ||
| 400 | D | 71.3 | Confident | 74.1 | Confident | 81 Ų | 81 | 102.1 Ų | 102.1 | 43% | 0.433 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -48.5 | -13.2 | 173.2 | -76.7 | -14.9 | 0 | 0 | 0 | 113.8 | G398 L402 E403 Y404 | G398-D400 PolarHBondContact O-N 3.38Å; D400-L402 PolarHBondContact O-N 3.2Å; D400-E403 PolarHBondContact O-N 3.45Å; D400-Y404 HydrophobicContact CB-CD2 4.15Å; D400-Y404 PolarHBondContact O-N 2.86Å |
| 401 | T | 76.9 | Confident | 76 | Confident | 39 Ų | 39 | 103.1 Ų | 103.1 | 24% | 0.239 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -52.2 | -30 | 167.4 | -61.8 | 0 | 0 | 0 | 0 | 113.2 | D399 G405 K406 | D399-T401 VanDerWaalsContact CG-CB 3.45Å; D399-T401 PolarHBondContact O-N 3.09Å; D399-T401 WeakPolarHBondContact OD1-CB 3.44Å; D399-T401 PolarHBondContact OD1-N 2.9Å; D399-T401 VanDerWaalsContact OD1-N 3.14Å; D399-T401 PolarHBondContact OD1-OG1 3.07Å; D399-T401 WeakPolarHBondContact OD2-CB 3.2Å; D399-T401 PolarHBondContact OD2-OG1 3.26Å; T401-G405 WeakPolarHBondContact O-CA 3.41Å; T401-G405 PolarHBondContact O-N 3.43Å; T401-K406 HydrophobicContact CG2-CB 4.47Å; T401-K406 HydrophobicContact CG2-CG 3.63Å |
| 402 | L | 75.4 | Confident | 77.5 | Confident | 170 Ų | 170 | 100 Ų | 100 | 89% | 0.89 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.6 | -32.4 | 175.8 | -74.5 | 176.5 | 0 | 0 | 0 | 113.3 | D399 D400 | D399-L402 PolarHBondContact O-N 3.07Å; D400-L402 PolarHBondContact O-N 3.2Å |
| 403 | E | 83.1 | Confident | 78.9 | Confident | 136 Ų | 136 | 99.8 Ų | 99.8 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -90.9 | -45.1 | -178 | -172.2 | 176.8 | 165.6 | 0 | 0 | 111.8 | D400 | D400-E403 PolarHBondContact O-N 3.45Å |
| 404 | Y | 83.3 | Confident | 80.1 | Confident | 68 Ų | 68 | 93.1 Ų | 93.1 | 27% | 0.267 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -108.7 | -0.5 | -172.2 | -60.6 | -76.7 | 0 | 0 | 0 | 114.1 | D400 I528 W531 R562 | D400-Y404 HydrophobicContact CB-CD2 4.15Å; D400-Y404 PolarHBondContact O-N 2.86Å; Y404-I528 HydrophobicContact CD1-CB 4.07Å; Y404-I528 HydrophobicContact CD1-CG2 3.51Å; Y404-I528 HydrophobicContact CD2-CD1 4.32Å; Y404-I528 HydrophobicContact CE1-CB 4.23Å; Y404-I528 HydrophobicContact CE1-CG2 4.1Å; Y404-I528 HydrophobicContact CG-CB 4.34Å; Y404-I528 HydrophobicContact CG-CD1 4.3Å; Y404-I528 HydrophobicContact CG-CG2 3.85Å; Y404-W531 HydrophobicContact CD1-CH2 4.45Å; Y404-W531 AromaticContact CE1-CH2 3.75Å; Y404-W531 HydrophobicContact CE1-CH2 3.75Å; Y404-W531 AromaticContact CE1-CZ2 3.76Å; Y404-W531 HydrophobicContact CE1-CZ2 3.76Å; Y404-R562 PolarHBondContact O-NE 3.21Å |
| 405 | G | 87.8 | Confident | 81.4 | Confident | 32 Ų | 32 | 88.4 Ų | 88.4 | 33% | 0.33 | 49% | 0.489 | S | S | . | . | trans | 70.5 | 172.1 | -172 | 0 | 0 | 0 | 0 | 0 | 112.9 | T401 R562 | T401-G405 WeakPolarHBondContact O-CA 3.41Å; T401-G405 PolarHBondContact O-N 3.43Å; G405-R562 PolarHBondContact O-NH2 2.72Å | ||
| 406 | K | 87.7 | Confident | 82.5 | Confident | 164 Ų | 164 | 86.2 Ų | 86.2 | 71% | 0.713 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -58.9 | 146.1 | -178.2 | -67.5 | -179.3 | -179.8 | -178 | 0 | 111.6 | T401 Q408 | T401-K406 HydrophobicContact CG2-CB 4.47Å; T401-K406 HydrophobicContact CG2-CG 3.63Å; K406-Q408 PolarHBondContact O-N 2.92Å |
| 407 | P | 91.9 | Very high | 83 | Confident | 75 Ų | 75 | 84 Ų | 84 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | trans | -49.6 | 124.2 | 170.4 | -28.8 | 36.2 | 0 | 0 | 0 | 111.7 | ||||
| 408 | Q | 92.8 | Very high | 82.8 | Confident | 98 Ų | 98 | 81.7 Ų | 81.7 | 46% | 0.458 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -86.6 | -14.4 | 178.6 | -67.7 | -179.7 | -14.9 | 0 | 0 | 112.6 | K406 | K406-Q408 PolarHBondContact O-N 2.92Š|
| 409 | Y | 94.6 | Very high | 82.8 | Confident | 10 Ų | 10 | 82.1 Ų | 82.1 | 4% | 0.039 | 47% | 0.468 | C | S | . | . | trans | -138.9 | 151.9 | -175.4 | -64.5 | -83.7 | 0 | 0 | 0 | 110.1 | D413 L525 E536 L540 P558 G559 L561 R563 | Y409-D413 HydrophobicContact CD1-CB 4.16Å; Y409-L525 HydrophobicContact CD2-CD1 4.29Å; Y409-L525 HydrophobicContact CE1-CD1 4.33Å; Y409-L525 HydrophobicContact CE2-CD1 3.63Å; Y409-L525 HydrophobicContact CE2-CD2 3.87Å; Y409-L525 HydrophobicContact CE2-CG 4.39Å; Y409-L525 WeakPolarHBondContact OH-CD2 3.48Å; Y409-E536 HydrophobicContact CE1-CG 4.24Å; Y409-E536 WeakPolarHBondContact CE1-OE1 3.48Å; Y409-E536 PolarHBondContact OH-OE1 3.37Å; Y409-E536 PolarHBondContact OH-OE2 3.15Å; Y409-L540 HydrophobicContact CD1-CD1 4.36Å; Y409-L540 HydrophobicContact CD1-CD2 4.05Å; Y409-L540 HydrophobicContact CE1-CD1 4.2Å; Y409-P558 WeakPolarHBondContact CB-O 3.31Å; Y409-G559 WeakPolarHBondContact O-CA 3.14Å; Y409-G559 PolarHBondContact O-N 2.78Å; Y409-L561 HydrophobicContact CD2-CB 3.81Å; Y409-L561 HydrophobicContact CE2-CB 4.39Å; Y409-R563 HydrophobicContact CE2-CG 4.42Å; Y409-R563 PolarHBondContact OH-NE 3.26Å; Y409-R563 PolarHBondContact OH-NH1 3.4Å; Y409-R563 PolarHBondContact OH-NH2 3.27Å | ||
| 410 | T | 93.8 | Very high | 81.8 | Confident | 74 Ų | 74 | 85.2 Ų | 85.2 | 45% | 0.454 | 48% | 0.479 | S | S | . | . | trans | -130.8 | 172.3 | -177 | 70.7 | 0 | 0 | 0 | 0 | 110.5 | A412 D413 P558 | T410-A412 PolarHBondContact O-N 2.9Å; T410-A412 VanDerWaalsContact O-N 3.15Å; T410-A412 PolarHBondContact OG1-N 2.94Å; T410-D413 WeakPolarHBondContact CA-OD2 3.32Å; T410-D413 WeakPolarHBondContact CB-OD2 3.38Å; T410-D413 PolarHBondContact N-OD2 3.16Å; T410-D413 PolarHBondContact O-N 3.12Å; T410-D413 VanDerWaalsContact O-N 3.13Å; T410-D413 PolarHBondContact OG1-OD2 2.96Å; T410-P558 VanDerWaalsContact O-CB 3.31Å; T410-P558 WeakPolarHBondContact O-CB 3.3Å | ||
| 411 | E | 92.8 | Very high | 80.7 | Confident | 108 Ų | 108 | 87.1 Ų | 87.1 | 51% | 0.505 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -14.6 | 173.6 | -68.1 | -65.4 | 170 | 0 | 0 | 113.7 | K547 P558 | E411-K547 IonicContact OE1-NZ 2.71Å; E411-K547 WeakPolarHBondContact OE2-CE 3.41Å; E411-K547 IonicContact OE2-NZ 2.95Å; E411-K547 PolarHBondContact OE2-NZ 3.06Å; E411-P558 WeakPolarHBondContact OE1-CD 3.45Å |
| 412 | A | 90.3 | Very high | 79.5 | Confident | 93 Ų | 93 | 90.1 Ų | 90.1 | 77% | 0.769 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -24.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T410 V414 | T410-A412 PolarHBondContact O-N 2.9Å; T410-A412 VanDerWaalsContact O-N 3.15Å; T410-A412 PolarHBondContact OG1-N 2.94Å; A412-V414 VanDerWaalsContact C-N 3.27Å; A412-V414 PolarHBondContact O-N 3.06Å |
| 413 | D | 91.7 | Very high | 78.5 | Confident | 75 Ų | 75 | 84.2 Ų | 84.2 | 40% | 0.401 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -82.3 | -9.5 | -179.3 | -53.5 | -69.9 | 0 | 0 | 0 | 112.4 | Y409 T410 I415 L540 | Y409-D413 HydrophobicContact CD1-CB 4.16Å; T410-D413 WeakPolarHBondContact CA-OD2 3.32Å; T410-D413 WeakPolarHBondContact CB-OD2 3.38Å; T410-D413 PolarHBondContact N-OD2 3.16Å; T410-D413 PolarHBondContact O-N 3.12Å; T410-D413 VanDerWaalsContact O-N 3.13Å; T410-D413 PolarHBondContact OG1-OD2 2.96Å; D413-I415 PolarHBondContact O-N 2.89Å; D413-L540 HydrophobicContact CB-CD2 4.3Å |
| 414 | V | 93.1 | Very high | 77.2 | Confident | 16 Ų | 16 | 82.2 Ų | 82.2 | 10% | 0.097 | 48% | 0.477 | C | S | . | . | trans | -67.3 | 116.1 | 179.3 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | A412 P416 L543 G544 P558 | A412-V414 VanDerWaalsContact C-N 3.27Å; A412-V414 PolarHBondContact O-N 3.06Å; V414-P416 WeakPolarHBondContact O-CD 3.43Å; V414-L543 HydrophobicContact CG2-CB 4.5Å; V414-G544 VanDerWaalsContact CG1-N 3.28Å; V414-P558 HydrophobicContact CG2-CB 4.14Å; V414-P558 HydrophobicContact CG2-CG 3.21Å | ||
| 415 | I | 90.4 | Very high | 75.8 | Confident | 50 Ų | 50 | 81.2 Ų | 81.2 | 26% | 0.256 | 48% | 0.482 | S | S | . | . | trans | -70.1 | 110.1 | 176.9 | -60.8 | 166.9 | 0 | 0 | 0 | 108.4 | D413 E537 L540 R541 | D413-I415 PolarHBondContact O-N 2.89Å; I415-E537 HydrophobicContact CD1-CG 4.37Å; I415-L540 HydrophobicContact CD1-CB 3.99Å; I415-L540 HydrophobicContact CG1-CB 4.04Å; I415-L540 PolarHBondContact N-O 3.44Å; I415-R541 HydrophobicContact CB-CG 3.93Å; I415-R541 HydrophobicContact CD1-CG 3.87Å; I415-R541 HydrophobicContact CG2-CG 3.85Å | ||
| 416 | P | 85.7 | Confident | 74.4 | Confident | 92 Ų | 92 | 87.5 Ų | 87.5 | 60% | 0.597 | 50% | 0.5 | S | S | * | . | trans | -67.7 | 143.3 | -178.9 | -17.3 | 33 | 0 | 0 | 0 | 110.1 | V414 T418 | V414-P416 WeakPolarHBondContact O-CD 3.43Å; P416-T418 VanDerWaalsContact C-N 3.31Å; P416-T418 PolarHBondContact O-N 3.12Å | ||
| 417 | C | 71.9 | Confident | 73 | Confident | 84 Ų | 84 | 85.7 Ų | 85.7 | 57% | 0.568 | 49% | 0.494 | S | S | * | . | trans | -72.4 | 90.8 | 166.4 | -63.5 | 0 | 0 | 0 | 0 | 109.2 | G419 | C417-G419 VanDerWaalsContact C-N 3.27Å; C417-G419 PolarHBondContact O-N 2.76Å | ||
| 418 | T | 59 | Low | 71.7 | Confident | 105 Ų | 105 | 87.5 Ų | 87.5 | 64% | 0.644 | 49% | 0.491 | S | S | * | . | trans | -65 | 84.8 | 170.5 | 48.8 | 0 | 0 | 0 | 0 | 109.7 | P416 E420 | P416-T418 VanDerWaalsContact C-N 3.31Å; P416-T418 PolarHBondContact O-N 3.12Å; T418-E420 PolarHBondContact O-N 3.04Å | ||
| 419 | G | 59.5 | Low | 70.3 | Confident | 44 Ų | 44 | 89.7 Ų | 89.7 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -2.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | C417 R428 | C417-G419 VanDerWaalsContact C-N 3.27Å; C417-G419 PolarHBondContact O-N 2.76Å; G419-R428 PolarHBondContact O-NH2 3.4Å; G419-R428 VanDerWaalsContact O-NH2 3.08Å |
| 420 | E | 45.5 | Very low | 68.9 | Low | 176 Ų | 176 | 92.3 Ų | 92.3 | 82% | 0.822 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.6 | 54.8 | -172 | -59.8 | -165.8 | 170.7 | 0 | 0 | 112.9 | T418 | T418-E420 PolarHBondContact O-N 3.04Š|
| 421 | E | 46.5 | Very low | 67.3 | Low | 120 Ų | 120 | 93.9 Ų | 93.9 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | trans | -71.3 | 126.4 | 148.9 | -98.3 | -60.2 | 129.2 | 0 | 0 | 108.6 | G423 E424 | E421-G423 PolarHBondContact O-N 3.4Å; E421-E424 HydrophobicContact CB-CG 4.41Å; E421-E424 PolarHBondContact O-N 2.98Å; E421-E424 VanDerWaalsContact O-N 3.09Å | ||
| 422 | P | 51.9 | Low | 66 | Low | 102 Ų | 102 | 97.6 Ų | 97.6 | 66% | 0.662 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.2 | -18.4 | -175.3 | -26.9 | 35.4 | 0 | 0 | 0 | 115.1 | ||
| 423 | G | 55 | Low | 64.5 | Low | 47 Ų | 47 | 94.8 Ų | 94.8 | 49% | 0.485 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.5 | -45.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E421 A425 K426 E427 | E421-G423 PolarHBondContact O-N 3.4Å; G423-A425 PolarHBondContact O-N 3.01Å; G423-K426 WeakPolarHBondContact O-CB 3.44Å; G423-K426 PolarHBondContact O-N 2.94Å; G423-E427 PolarHBondContact O-N 3.42Å |
| 424 | E | 56.5 | Low | 62.9 | Low | 94 Ų | 94 | 94.3 Ų | 94.3 | 44% | 0.439 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.9 | -32.2 | -173.3 | -64.9 | -170.1 | 177.7 | 0 | 0 | 113.2 | E421 K426 E427 R428 | E421-E424 HydrophobicContact CB-CG 4.41Å; E421-E424 PolarHBondContact O-N 2.98Å; E421-E424 VanDerWaalsContact O-N 3.09Å; E424-K426 VanDerWaalsContact C-N 3.29Å; E424-E427 PolarHBondContact O-N 3.09Å; E424-R428 WeakPolarHBondContact O-CB 3.4Å; E424-R428 WeakPolarHBondContact O-CG 3.49Å; E424-R428 PolarHBondContact O-N 2.96Å; E424-R428 PolarHBondContact O-NE 3.04Å; E424-R428 IonicContact OE2-CZ 3.88Å; E424-R428 IonicContact OE2-NH2 3.9Å; E424-R428 PolarHBondContact OE2-NH2 3.3Å |
| 425 | A | 54 | Low | 61.1 | Low | 46 Ų | 46 | 99.6 Ų | 99.6 | 38% | 0.38 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.5 | -42.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.3 | G423 R428 E429 | G423-A425 PolarHBondContact O-N 3.01Å; A425-R428 PolarHBondContact O-N 2.96Å; A425-E429 WeakPolarHBondContact O-CB 3.37Å; A425-E429 PolarHBondContact O-N 3.38Å |
| 426 | K | 57.2 | Low | 59.5 | Low | 165 Ų | 165 | 104.2 Ų | 104.2 | 72% | 0.717 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.1 | -34.1 | 176.8 | -172 | 178 | -179.8 | -178.9 | 0 | 112.6 | G423 E424 A430 | G423-K426 WeakPolarHBondContact O-CB 3.44Å; G423-K426 PolarHBondContact O-N 2.94Å; E424-K426 VanDerWaalsContact C-N 3.29Å; K426-A430 WeakPolarHBondContact O-CB 3.37Å; K426-A430 PolarHBondContact O-N 3.43Å |
| 427 | E | 59.3 | Low | 57.8 | Low | 126 Ų | 126 | 106.1 Ų | 106.1 | 59% | 0.589 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.3 | -43 | 173.1 | -171.3 | 173.3 | -170 | 0 | 0 | 112 | G423 E424 E429 A430 L431 | G423-E427 PolarHBondContact O-N 3.42Å; E424-E427 PolarHBondContact O-N 3.09Å; E427-E429 VanDerWaalsContact C-N 3.31Å; E427-E429 PolarHBondContact O-N 2.81Å; E427-A430 PolarHBondContact O-N 2.85Å; E427-L431 HydrophobicContact CG-CD1 4.23Å; E427-L431 WeakPolarHBondContact O-CB 3.11Å; E427-L431 WeakPolarHBondContact O-CG 3.39Å; E427-L431 PolarHBondContact O-N 3.01Å |
| 428 | R | 63.5 | Low | 56.5 | Low | 112 Ų | 112 | 106.7 Ų | 106.7 | 42% | 0.423 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.4 | -36 | 172.6 | -75.8 | 178.3 | -106.4 | 137.5 | -11.4 | 112.3 | G419 E424 A425 R432 | G419-R428 PolarHBondContact O-NH2 3.4Å; G419-R428 VanDerWaalsContact O-NH2 3.08Å; E424-R428 WeakPolarHBondContact O-CB 3.4Å; E424-R428 WeakPolarHBondContact O-CG 3.49Å; E424-R428 PolarHBondContact O-N 2.96Å; E424-R428 PolarHBondContact O-NE 3.04Å; E424-R428 IonicContact OE2-CZ 3.88Å; E424-R428 IonicContact OE2-NH2 3.9Å; E424-R428 PolarHBondContact OE2-NH2 3.3Å; A425-R428 PolarHBondContact O-N 2.96Å; R428-R432 WeakPolarHBondContact O-CB 3.32Å; R428-R432 VanDerWaalsContact O-CG 3.3Å; R428-R432 WeakPolarHBondContact O-CG 3.47Å; R428-R432 PolarHBondContact O-N 2.75Å |
| 429 | E | 63.2 | Low | 55.8 | Low | 145 Ų | 145 | 104.2 Ų | 104.2 | 68% | 0.678 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.5 | -45.8 | 171.8 | -163.2 | 89.4 | -135.3 | 0 | 0 | 110.9 | A425 E427 R432 G433 | A425-E429 WeakPolarHBondContact O-CB 3.37Å; A425-E429 PolarHBondContact O-N 3.38Å; E427-E429 VanDerWaalsContact C-N 3.31Å; E427-E429 PolarHBondContact O-N 2.81Å; E429-R432 PolarHBondContact O-N 3.41Å; E429-G433 PolarHBondContact O-N 2.6Å |
| 430 | A | 66.2 | Low | 55.1 | Low | 64 Ų | 64 | 108.1 Ų | 108.1 | 53% | 0.529 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.8 | -40.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K426 E427 G433 A434 | K426-A430 WeakPolarHBondContact O-CB 3.37Å; K426-A430 PolarHBondContact O-N 3.43Å; E427-A430 PolarHBondContact O-N 2.85Å; A430-G433 PolarHBondContact O-N 3.15Å; A430-A434 WeakPolarHBondContact O-CB 3.31Å; A430-A434 PolarHBondContact O-N 3.44Å |
| 431 | L | 59.8 | Low | 54.8 | Low | 108 Ų | 108 | 105.9 Ų | 105.9 | 57% | 0.565 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.6 | -39.6 | 174.2 | -73 | 166.9 | 0 | 0 | 0 | 111.8 | E427 A434 V435 | E427-L431 HydrophobicContact CG-CD1 4.23Å; E427-L431 WeakPolarHBondContact O-CB 3.11Å; E427-L431 WeakPolarHBondContact O-CG 3.39Å; E427-L431 PolarHBondContact O-N 3.01Å; L431-A434 PolarHBondContact O-N 2.97Å; L431-V435 WeakPolarHBondContact O-CG2 3.27Å; L431-V435 PolarHBondContact O-N 2.8Å |
| 432 | R | 65.8 | Low | 54.2 | Low | 186 Ų | 186 | 105.8 Ų | 105.8 | 70% | 0.702 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.8 | -38.1 | 171.5 | -74.5 | 175.4 | -177.3 | -80 | 0.3 | 112.1 | R428 E429 L436 | R428-R432 WeakPolarHBondContact O-CB 3.32Å; R428-R432 VanDerWaalsContact O-CG 3.3Å; R428-R432 WeakPolarHBondContact O-CG 3.47Å; R428-R432 PolarHBondContact O-N 2.75Å; E429-R432 PolarHBondContact O-N 3.41Å; R432-L436 PolarHBondContact O-N 3.49Å |
| 433 | G | 58.2 | Low | 53.7 | Low | 34 Ų | 34 | 107.6 Ų | 107.6 | 35% | 0.351 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -64.8 | -39 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E429 A430 L436 N437 | E429-G433 PolarHBondContact O-N 2.6Å; A430-G433 PolarHBondContact O-N 3.15Å; G433-L436 PolarHBondContact O-N 3.17Å; G433-N437 PolarHBondContact O-N 3.01Å |
| 434 | A | 58 | Low | 53.2 | Low | 65 Ų | 65 | 116.5 Ų | 116.5 | 54% | 0.537 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -68.9 | -33.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | A430 L431 L436 | A430-A434 WeakPolarHBondContact O-CB 3.31Å; A430-A434 PolarHBondContact O-N 3.44Å; L431-A434 PolarHBondContact O-N 2.97Å; A434-L436 VanDerWaalsContact C-N 3.32Å; A434-L436 PolarHBondContact O-N 3Å |
| 435 | V | 56.2 | Low | 52.2 | Low | 127 Ų | 127 | 120.2 Ų | 120.2 | 77% | 0.77 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -71.6 | -25.2 | 176.9 | 171.6 | 0 | 0 | 0 | 0 | 112.6 | L431 | L431-V435 WeakPolarHBondContact O-CG2 3.27Å; L431-V435 PolarHBondContact O-N 2.8Å |
| 436 | L | 56.3 | Low | 51.1 | Low | 147 Ų | 147 | 123.8 Ų | 123.8 | 77% | 0.77 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -92.3 | -23.4 | -179.9 | -67.4 | 175 | 0 | 0 | 0 | 114.1 | R432 G433 A434 | R432-L436 PolarHBondContact O-N 3.49Å; G433-L436 PolarHBondContact O-N 3.17Å; A434-L436 VanDerWaalsContact C-N 3.32Å; A434-L436 PolarHBondContact O-N 3Å |
| 437 | N | 50.8 | Low | 50.1 | Low | 132 Ų | 132 | 122.1 Ų | 122.1 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -114.2 | 93.1 | 176.8 | -75.3 | -44 | 0 | 0 | 0 | 110.5 | G433 G439 | G433-N437 PolarHBondContact O-N 3.01Å; N437-G439 PolarHBondContact O-N 3.37Å |
| 438 | G | 45.1 | Very low | 48.9 | Very low | 95 Ų | 95 | 123.6 Ų | 123.6 | 98% | 0.979 | 71% | 0.713 | S | S | * | * | trans | -65.6 | 86.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 439 | G | 44.2 | Very low | 47.4 | Very low | 53 Ų | 53 | 127.2 Ų | 127.2 | 55% | 0.546 | 73% | 0.733 | S | S | . | * | trans | -127 | 145.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | N437 | N437-G439 PolarHBondContact O-N 3.37Š| ||
| 440 | P | 44.1 | Very low | 45.8 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -71 | 139.9 | -173.9 | 28.8 | -34.7 | 0 | 0 | 0 | 111.9 | S442 | P440-S442 PolarHBondContact O-N 3.23Š|
| 441 | P | 39.7 | Very low | 44.5 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 118.2 | -180 | 28.9 | -33.5 | 0 | 0 | 0 | 111.2 | ||
| 442 | S | 32.9 | Very low | 43.3 | Very low | 118 Ų | 118 | 139 Ų | 139 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 123.2 | 167.7 | -171.2 | 0 | 0 | 0 | 0 | 109.7 | P440 R444 | P440-S442 PolarHBondContact O-N 3.23Å; S442-R444 PolarHBondContact O-N 3.29Å; S442-R444 VanDerWaalsContact O-N 3.16Å |
| 443 | T | 42.5 | Very low | 41.7 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | trans | -69.6 | 102.8 | -177 | 19 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 444 | R | 44.1 | Very low | 40.4 | Very low | 234 Ų | 234 | 140.2 Ų | 140.2 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -163.9 | 82.6 | 157.4 | -141.2 | -178 | -71.6 | 179.9 | -4.2 | 115.1 | S442 | S442-R444 PolarHBondContact O-N 3.29Å; S442-R444 VanDerWaalsContact O-N 3.16Å | ||
| 445 | I | 35.1 | Very low | 39.1 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -134.7 | 130.2 | 151.7 | -59 | -176.5 | 0 | 0 | 0 | 108.7 | ||||
| 446 | T | 32 | Very low | 38 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | -87.3 | 134.2 | 179.5 | 43.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 447 | P | 34.9 | Very low | 37 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -86.5 | 101 | 156.6 | 14.8 | 2.3 | 0 | 0 | 0 | 108.8 | ||||
| 448 | E | 34.3 | Very low | 36.6 | Very low | 156 Ų | 156 | 147 Ų | 147 | 73% | 0.729 | 82% | 0.818 | S | S | * | * | trans | -80.4 | 166 | 153.7 | -152.9 | -174.9 | -168.2 | 0 | 0 | 108.6 | ||||
| 449 | F | 31.3 | Very low | 36 | Very low | 189 Ų | 189 | 146.7 Ų | 146.7 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | 76.1 | 67.6 | -176.2 | -53.4 | -80.9 | 0 | 0 | 0 | 116.6 | ||||
| 450 | S | 30.6 | Very low | 35.3 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | trans | -136.6 | 109.8 | 132.1 | -167.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 451 | K | 38.5 | Very low | 35 | Very low | 193 Ų | 193 | 149.4 Ų | 149.4 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | -108.3 | 89.5 | -174.1 | -178.1 | -166.4 | 174.4 | -178.8 | 0 | 110.1 | ||||
| 452 | W | 34 | Very low | 34.5 | Very low | 251 Ų | 251 | 150.6 Ų | 150.6 | 95% | 0.951 | 81% | 0.808 | S | S | * | * | trans | -138.9 | 122.1 | 144.1 | -76.1 | -52.4 | 0 | 0 | 0 | 109.2 | ||||
| 453 | A | 32.2 | Very low | 34.5 | Very low | 78 Ų | 78 | 148.5 Ų | 148.5 | 65% | 0.645 | 81% | 0.806 | S | S | * | * | trans | -82.3 | 142.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 454 | N | 30.8 | Very low | 34 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -143.3 | 112.4 | 137.9 | -86.6 | -56.4 | 0 | 0 | 0 | 107.1 | ||||
| 455 | D | 32.3 | Very low | 33.2 | Very low | 155 Ų | 155 | 144 Ų | 144 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | -62.5 | 133.9 | 161.8 | -63.7 | -88.1 | 0 | 0 | 0 | 108.9 | ||||
| 456 | E | 31.9 | Very low | 33.2 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 87% | 0.869 | 79% | 0.786 | S | S | * | * | -175.2 | 128.2 | 101.9 | -161.6 | 168.4 | 118.4 | 0 | 0 | 109 | |||||
| 457 | M | 35.8 | Very low | 33.2 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | trans | -114.8 | 149.7 | 174.8 | -158 | 162.1 | 63.3 | 0 | 0 | 107.3 | ||||
| 458 | P | 41.8 | Very low | 33 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | -139.6 | 136.4 | 104.7 | 34.7 | -22.6 | 0 | 0 | 0 | 114.2 | |||||
| 459 | S | 32.4 | Very low | 32.8 | Very low | 89 Ų | 89 | 145.4 Ų | 145.4 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | trans | -74.7 | 144.7 | 161 | -54.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 460 | T | 29.2 | Very low | 32.9 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -128.7 | 116.7 | 152.3 | 55.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 461 | S | 39.4 | Very low | 33 | Very low | 96 Ų | 96 | 141.8 Ų | 141.8 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | -85.7 | -173.9 | 172.8 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 462 | N | 28.9 | Very low | 33.1 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | 81.7 | 122.4 | 175.9 | -46.3 | 10.6 | 0 | 0 | 0 | 112.4 | ||||
| 463 | G | 32.8 | Very low | 33.3 | Very low | 75 Ų | 75 | 138.3 Ų | 138.3 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | cis | 96.8 | 98 | 0.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 464 | E | 30.8 | Very low | 33.3 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | trans | -162.8 | 145.9 | 152.7 | -171.2 | 152.4 | 115.7 | 0 | 0 | 113.2 | ||||
| 465 | S | 28.7 | Very low | 33.5 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | trans | 67.7 | 108 | 153 | -81.9 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 466 | S | 33.8 | Very low | 33.6 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | 69.2 | 118.6 | 110 | -64.2 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 467 | K | 33.3 | Very low | 34.2 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | trans | 48.6 | 116.8 | 131.7 | -72.2 | -179.2 | 174.2 | 179 | 0 | 118.6 | ||||
| 468 | Q | 30.9 | Very low | 34.4 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | -174.1 | 152.9 | 81.2 | -120.3 | 162.5 | -67.9 | 0 | 0 | 114.2 | |||||
| 469 | E | 29.5 | Very low | 34.2 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | trans | 60.9 | 110.1 | 146.6 | -78.5 | 159.6 | -143.4 | 0 | 0 | 123.9 | ||||
| 470 | A | 33.3 | Very low | 35.3 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -27.1 | 132.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 471 | M | 32.2 | Very low | 36.1 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | trans | -152 | 95 | 140.1 | -171.2 | 67.3 | 61.7 | 0 | 0 | 110.2 | K473 | M471-K473 HydrophobicContact CG-CB 4.47Å; M471-K473 HydrophobicContact CG-CD 3.79Å; M471-K473 HydrophobicContact CG-CG 3.82Å; M471-K473 PolarHBondContact O-N 2.83Å; M471-K473 HydrophobicContact SD-CD 4.2Å; M471-K473 HydrophobicContact SD-CG 4.17Å | ||
| 472 | Q | 41.3 | Very low | 36.4 | Very low | 200 Ų | 200 | 147.9 Ų | 147.9 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | trans | -66.5 | 113 | 158.7 | -75.6 | 178.2 | -25.5 | 0 | 0 | 107.7 | ||||
| 473 | K | 37.8 | Very low | 37.5 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -120.8 | 126.3 | 165.2 | -92.1 | 173.9 | -178.7 | 172.2 | 0 | 110 | M471 | M471-K473 HydrophobicContact CG-CB 4.47Å; M471-K473 HydrophobicContact CG-CD 3.79Å; M471-K473 HydrophobicContact CG-CG 3.82Å; M471-K473 PolarHBondContact O-N 2.83Å; M471-K473 HydrophobicContact SD-CD 4.2Å; M471-K473 HydrophobicContact SD-CG 4.17Å | ||
| 474 | T | 32.7 | Very low | 38.9 | Very low | 118 Ų | 118 | 147.9 Ų | 147.9 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | trans | -65 | 146.9 | -174.9 | 41.8 | 0 | 0 | 0 | 0 | 111.8 | K476 | T474-K476 PolarHBondContact O-N 2.93Š| ||
| 475 | C | 34.3 | Very low | 40.2 | Very low | 133 Ų | 133 | 147 Ų | 147 | 90% | 0.899 | 77% | 0.77 | S | S | * | * | trans | -57.3 | 111.7 | 171.8 | -43.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 476 | K | 35.2 | Very low | 41.7 | Very low | 178 Ų | 178 | 148.1 Ų | 148.1 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | trans | -105.2 | 116.6 | 165.8 | -71.1 | -173.3 | 176.6 | -174.2 | 0 | 107.4 | T474 S478 | T474-K476 PolarHBondContact O-N 2.93Å; K476-S478 PolarHBondContact O-N 3.03Å | ||
| 477 | N | 44.1 | Very low | 43.2 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 90% | 0.898 | 75% | 0.753 | S | S | * | * | trans | -65.6 | 116.4 | 163.7 | -68.3 | -28.8 | 0 | 0 | 0 | 107.2 | ||||
| 478 | S | 40.5 | Very low | 44.9 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | trans | -121.1 | 106.5 | 168.3 | 52.5 | 0 | 0 | 0 | 0 | 108.2 | K476 | K476-S478 PolarHBondContact O-N 3.03Š| ||
| 479 | D | 38.2 | Very low | 47 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | 53.3 | 136.4 | 143.7 | -55.9 | -59.6 | 0 | 0 | 0 | 121.2 | E481 | D479-E481 PolarHBondContact O-N 2.99Š| ||
| 480 | I | 54.6 | Low | 49.5 | Very low | 178 Ų | 178 | 131.6 Ų | 131.6 | 91% | 0.913 | 71% | 0.708 | S | S | * | * | trans | -75.3 | 87.5 | 176.7 | -60 | 161.9 | 0 | 0 | 0 | 108 | ||||
| 481 | E | 46 | Very low | 52 | Low | 175 Ų | 175 | 130.7 Ų | 130.7 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -78.3 | 146.5 | 161 | -65.8 | -158.3 | 150.2 | 0 | 0 | 110.2 | D479 I483 | D479-E481 PolarHBondContact O-N 2.99Å; E481-I483 PolarHBondContact O-N 3.09Å | ||
| 482 | K | 44.7 | Very low | 54.8 | Low | 190 Ų | 190 | 129.6 Ų | 129.6 | 83% | 0.826 | 69% | 0.685 | S | S | * | * | trans | -52.2 | 141.6 | -177.4 | -75.3 | 176.4 | 173.9 | 177.4 | 0 | 110.6 | T484 | K482-T484 PolarHBondContact O-N 2.88Š| ||
| 483 | I | 52.1 | Low | 57.2 | Low | 149 Ų | 149 | 125.9 Ų | 125.9 | 76% | 0.764 | 67% | 0.667 | S | S | * | * | trans | -63.5 | 89.3 | 166.6 | -50.6 | 168.1 | 0 | 0 | 0 | 107.6 | E481 | E481-I483 PolarHBondContact O-N 3.09Š| ||
| 484 | T | 62.2 | Low | 59.7 | Low | 79 Ų | 79 | 120.8 Ų | 120.8 | 49% | 0.485 | 66% | 0.657 | S | S | . | * | trans | -70.7 | 155.5 | 166.7 | 48.2 | 0 | 0 | 0 | 0 | 109 | K482 D486 S487 | K482-T484 PolarHBondContact O-N 2.88Å; T484-D486 PolarHBondContact O-N 2.97Å; T484-D486 VanDerWaalsContact O-N 3.12Å; T484-S487 VanDerWaalsContact O-CB 3.29Å; T484-S487 WeakPolarHBondContact O-CB 3.2Å; T484-S487 PolarHBondContact O-N 3.02Å | ||
| 485 | E | 59.3 | Low | 62.6 | Low | 169 Ų | 169 | 120.3 Ų | 120.3 | 79% | 0.79 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -58.7 | -29.1 | -177.1 | -64.4 | 174.9 | 145 | 0 | 0 | 111.5 | S487 A488 V489 | E485-S487 VanDerWaalsContact C-N 3.29Å; E485-S487 PolarHBondContact O-N 3.2Å; E485-A488 WeakPolarHBondContact O-CB 3.37Å; E485-A488 PolarHBondContact O-N 3.47Å; E485-A488 VanDerWaalsContact O-N 3.09Å; E485-V489 WeakPolarHBondContact O-CG2 3.27Å; E485-V489 PolarHBondContact O-N 3.3Å |
| 486 | D | 59.2 | Low | 65.5 | Low | 116 Ų | 116 | 119 Ų | 119 | 62% | 0.62 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61.1 | -31.2 | 173.1 | -51.2 | -50.2 | 0 | 0 | 0 | 113.6 | T484 V489 T490 | T484-D486 PolarHBondContact O-N 2.97Å; T484-D486 VanDerWaalsContact O-N 3.12Å; D486-V489 PolarHBondContact O-N 3.15Å; D486-T490 WeakPolarHBondContact O-CB 3.41Å; D486-T490 WeakPolarHBondContact O-CG2 3.38Å; D486-T490 PolarHBondContact O-N 3.4Å; D486-T490 PolarHBondContact O-OG1 2.91Å |
| 487 | S | 66.4 | Low | 68.2 | Low | 52 Ų | 52 | 113.3 Ų | 113.3 | 36% | 0.364 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.9 | -37.6 | 173.9 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | T484 E485 T490 T491 | T484-S487 VanDerWaalsContact O-CB 3.29Å; T484-S487 WeakPolarHBondContact O-CB 3.2Å; T484-S487 PolarHBondContact O-N 3.02Å; E485-S487 VanDerWaalsContact C-N 3.29Å; E485-S487 PolarHBondContact O-N 3.2Å; S487-T490 WeakPolarHBondContact CA-OG1 3.18Å; S487-T490 PolarHBondContact O-OG1 2.93Å; S487-T491 WeakPolarHBondContact O-CB 3.4Å; S487-T491 VanDerWaalsContact O-CG2 3.32Å; S487-T491 WeakPolarHBondContact O-CG2 3.49Å; S487-T491 PolarHBondContact O-N 2.85Å; S487-T491 PolarHBondContact O-OG1 2.84Å |
| 488 | A | 68.7 | Low | 70.5 | Confident | 52 Ų | 52 | 113.6 Ų | 113.6 | 43% | 0.43 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -69 | -38.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E485 T491 F492 | E485-A488 WeakPolarHBondContact O-CB 3.37Å; E485-A488 PolarHBondContact O-N 3.47Å; E485-A488 VanDerWaalsContact O-N 3.09Å; A488-T491 WeakPolarHBondContact CA-OG1 3.3Å; A488-T491 PolarHBondContact O-OG1 2.92Å; A488-T491 VanDerWaalsContact O-OG1 3.1Å; A488-F492 WeakPolarHBondContact O-CB 3.45Å; A488-F492 PolarHBondContact O-N 3.08Å |
| 489 | V | 75.3 | Confident | 73 | Confident | 75 Ų | 75 | 112.6 Ų | 112.6 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.3 | -48.7 | 175.7 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | E485 D486 T491 F492 E493 | E485-V489 WeakPolarHBondContact O-CG2 3.27Å; E485-V489 PolarHBondContact O-N 3.3Å; D486-V489 PolarHBondContact O-N 3.15Å; V489-T491 PolarHBondContact O-N 3.3Å; V489-F492 WeakPolarHBondContact O-CB 3.07Å; V489-F492 PolarHBondContact O-N 3.44Å; V489-E493 WeakPolarHBondContact O-CG 3.33Å; V489-E493 PolarHBondContact O-N 3.42Å |
| 490 | T | 80.9 | Confident | 75.5 | Confident | 82 Ų | 82 | 114.3 Ų | 114.3 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.1 | -37.5 | 179.6 | 48.6 | 0 | 0 | 0 | 0 | 112.8 | D486 S487 A494 | D486-T490 WeakPolarHBondContact O-CB 3.41Å; D486-T490 WeakPolarHBondContact O-CG2 3.38Å; D486-T490 PolarHBondContact O-N 3.4Å; D486-T490 PolarHBondContact O-OG1 2.91Å; S487-T490 WeakPolarHBondContact CA-OG1 3.18Å; S487-T490 PolarHBondContact O-OG1 2.93Å; T490-A494 WeakPolarHBondContact O-CB 3.39Å; T490-A494 PolarHBondContact O-N 3.34Å |
| 491 | T | 87 | Confident | 77.1 | Confident | 75 Ų | 75 | 109 Ų | 109 | 46% | 0.46 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.9 | -37.7 | 171.8 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | S487 A488 V489 A494 L495 | S487-T491 WeakPolarHBondContact O-CB 3.4Å; S487-T491 VanDerWaalsContact O-CG2 3.32Å; S487-T491 WeakPolarHBondContact O-CG2 3.49Å; S487-T491 PolarHBondContact O-N 2.85Å; S487-T491 PolarHBondContact O-OG1 2.84Å; A488-T491 WeakPolarHBondContact CA-OG1 3.3Å; A488-T491 PolarHBondContact O-OG1 2.92Å; A488-T491 VanDerWaalsContact O-OG1 3.1Å; V489-T491 PolarHBondContact O-N 3.3Å; T491-A494 PolarHBondContact O-N 3.25Å; T491-L495 WeakPolarHBondContact O-CB 3.27Å; T491-L495 VanDerWaalsContact O-CG 3.25Å; T491-L495 WeakPolarHBondContact O-CG 3.48Å; T491-L495 PolarHBondContact O-N 3.12Å |
| 492 | F | 89.6 | Confident | 78.9 | Confident | 118 Ų | 118 | 104.6 Ų | 104.6 | 52% | 0.518 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 174.5 | -177.9 | -127.7 | 0 | 0 | 0 | 112.8 | A488 V489 L495 K496 | A488-F492 WeakPolarHBondContact O-CB 3.45Å; A488-F492 PolarHBondContact O-N 3.08Å; V489-F492 WeakPolarHBondContact O-CB 3.07Å; V489-F492 PolarHBondContact O-N 3.44Å; F492-L495 PolarHBondContact O-N 2.85Å; F492-K496 HydrophobicContact CD1-CD 4.44Å; F492-K496 HydrophobicContact CE1-CD 4.31Å; F492-K496 HydrophobicContact CZ-CD 4.45Å; F492-K496 WeakPolarHBondContact O-CB 3.11Å; F492-K496 WeakPolarHBondContact O-CG 3.43Å; F492-K496 PolarHBondContact O-N 2.84Å |
| 493 | E | 91.7 | Very high | 80.9 | Confident | 122 Ų | 122 | 100.7 Ų | 100.7 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -67.9 | -41.8 | 172.7 | -72.2 | -167.5 | 155.3 | 0 | 0 | 112.3 | V489 L495 K496 A497 | V489-E493 WeakPolarHBondContact O-CG 3.33Å; V489-E493 PolarHBondContact O-N 3.42Å; E493-L495 VanDerWaalsContact C-N 3.33Å; E493-L495 PolarHBondContact O-N 3.37Å; E493-K496 PolarHBondContact O-N 3.2Å; E493-A497 WeakPolarHBondContact O-CB 3.25Å; E493-A497 PolarHBondContact O-N 3.22Å |
| 494 | A | 91.3 | Very high | 82.3 | Confident | 63 Ų | 63 | 98.9 Ų | 98.9 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T490 T491 A497 R498 | T490-A494 WeakPolarHBondContact O-CB 3.39Å; T490-A494 PolarHBondContact O-N 3.34Å; T491-A494 PolarHBondContact O-N 3.25Å; A494-A497 PolarHBondContact O-N 2.89Å; A494-R498 WeakPolarHBondContact O-CB 3.35Å; A494-R498 PolarHBondContact O-N 2.83Å |
| 495 | L | 93.9 | Very high | 82.8 | Confident | 109 Ų | 109 | 99.4 Ų | 99.4 | 57% | 0.571 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.4 | -43.2 | 173.8 | -74.1 | 169.3 | 0 | 0 | 0 | 111.6 | T491 F492 E493 A497 R498 V499 | T491-L495 WeakPolarHBondContact O-CB 3.27Å; T491-L495 VanDerWaalsContact O-CG 3.25Å; T491-L495 WeakPolarHBondContact O-CG 3.48Å; T491-L495 PolarHBondContact O-N 3.12Å; F492-L495 PolarHBondContact O-N 2.85Å; E493-L495 VanDerWaalsContact C-N 3.33Å; E493-L495 PolarHBondContact O-N 3.37Å; L495-A497 PolarHBondContact O-N 2.86Å; L495-R498 CarbonylContact O-C 3.29Å; L495-R498 PolarHBondContact O-N 3.06Å; L495-V499 WeakPolarHBondContact O-CG2 3.43Å; L495-V499 PolarHBondContact O-N 2.86Å |
| 496 | K | 93.9 | Very high | 83.4 | Confident | 106 Ų | 106 | 95 Ų | 95 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 173.1 | -80.2 | 173.6 | 172.3 | 173.4 | 0 | 112.6 | F492 E493 R498 V499 R500 | F492-K496 HydrophobicContact CD1-CD 4.44Å; F492-K496 HydrophobicContact CE1-CD 4.31Å; F492-K496 HydrophobicContact CZ-CD 4.45Å; F492-K496 WeakPolarHBondContact O-CB 3.11Å; F492-K496 WeakPolarHBondContact O-CG 3.43Å; F492-K496 PolarHBondContact O-N 2.84Å; E493-K496 PolarHBondContact O-N 3.2Å; K496-R498 VanDerWaalsContact C-N 3.33Å; K496-V499 PolarHBondContact O-N 2.94Å; K496-R500 WeakPolarHBondContact O-CG 3.36Å; K496-R500 PolarHBondContact O-N 3.49Å |
| 497 | A | 92.9 | Very high | 83.9 | Confident | 58 Ų | 58 | 94 Ų | 94 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E493 A494 L495 R500 E501 | E493-A497 WeakPolarHBondContact O-CB 3.25Å; E493-A497 PolarHBondContact O-N 3.22Å; A494-A497 PolarHBondContact O-N 2.89Å; L495-A497 PolarHBondContact O-N 2.86Å; A497-R500 PolarHBondContact O-N 3.4Å; A497-E501 WeakPolarHBondContact O-CB 3.4Å; A497-E501 PolarHBondContact O-N 3.4Å |
| 498 | R | 91.8 | Very high | 84 | Confident | 174 Ų | 174 | 98.5 Ų | 98.5 | 66% | 0.657 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.9 | -38 | 174.9 | -172.2 | 171.8 | -177.2 | 147.7 | 0.8 | 112.9 | A494 L495 K496 E501 L502 | A494-R498 WeakPolarHBondContact O-CB 3.35Å; A494-R498 PolarHBondContact O-N 2.83Å; L495-R498 CarbonylContact O-C 3.29Å; L495-R498 PolarHBondContact O-N 3.06Å; K496-R498 VanDerWaalsContact C-N 3.33Å; R498-E501 PolarHBondContact O-N 3.17Å; R498-L502 HydrophobicContact CG-CD1 4.32Å; R498-L502 WeakPolarHBondContact O-CB 3.4Å; R498-L502 VanDerWaalsContact O-CG 3.27Å; R498-L502 WeakPolarHBondContact O-CG 3.4Å; R498-L502 PolarHBondContact O-N 3.41Å |
| 499 | V | 92.8 | Very high | 83.7 | Confident | 74 Ų | 74 | 97.3 Ų | 97.3 | 45% | 0.448 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -48.6 | 173.2 | 168.2 | 0 | 0 | 0 | 0 | 110.1 | L495 K496 E501 L502 E503 | L495-V499 WeakPolarHBondContact O-CG2 3.43Å; L495-V499 PolarHBondContact O-N 2.86Å; K496-V499 PolarHBondContact O-N 2.94Å; V499-E501 VanDerWaalsContact C-N 3.31Å; V499-E501 PolarHBondContact O-N 3.27Å; V499-L502 CarbonylContact O-C 3.6Å; V499-L502 WeakPolarHBondContact O-CB 3.38Å; V499-L502 PolarHBondContact O-N 3.46Å; V499-L502 VanDerWaalsContact O-N 3.11Å; V499-E503 HydrophobicContact CG1-CG 4.32Å; V499-E503 WeakPolarHBondContact O-CB 3.41Å; V499-E503 WeakPolarHBondContact O-CG 3.48Å; V499-E503 PolarHBondContact O-N 3.05Å |
| 500 | R | 91.9 | Very high | 83.3 | Confident | 185 Ų | 185 | 97.4 Ų | 97.4 | 70% | 0.698 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.5 | -37.5 | 175.2 | -73.9 | 177.7 | 175.4 | -179.5 | -1.5 | 113.2 | K496 A497 R504 | K496-R500 WeakPolarHBondContact O-CG 3.36Å; K496-R500 PolarHBondContact O-N 3.49Å; A497-R500 PolarHBondContact O-N 3.4Å; R500-R504 VanDerWaalsContact O-CB 3.31Å; R500-R504 WeakPolarHBondContact O-CB 3.43Å; R500-R504 PolarHBondContact O-N 3.19Å |
| 501 | E | 88 | Confident | 82.9 | Confident | 65 Ų | 65 | 100.6 Ų | 100.6 | 30% | 0.304 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.1 | -38.7 | 174.6 | 175.2 | 53.3 | -147.4 | 0 | 0 | 111.7 | A497 R498 V499 R504 Q505 | A497-E501 WeakPolarHBondContact O-CB 3.4Å; A497-E501 PolarHBondContact O-N 3.4Å; R498-E501 PolarHBondContact O-N 3.17Å; V499-E501 VanDerWaalsContact C-N 3.31Å; V499-E501 PolarHBondContact O-N 3.27Å; E501-R504 WeakPolarHBondContact O-CB 3.48Å; E501-R504 PolarHBondContact O-N 3.47Å; E501-R504 IonicContact OE1-CZ 3.48Å; E501-R504 IonicContact OE1-NE 3.7Å; E501-R504 IonicContact OE1-NH2 2.68Å; E501-R504 PolarHBondContact OE1-NH2 3.46Å; E501-R504 IonicContact OE2-CZ 3.15Å; E501-R504 IonicContact OE2-NE 2.76Å; E501-R504 PolarHBondContact OE2-NE 3.2Å; E501-R504 IonicContact OE2-NH2 2.73Å; E501-R504 PolarHBondContact OE2-NH2 3.39Å; E501-Q505 WeakPolarHBondContact O-CG 3.37Å; E501-Q505 PolarHBondContact O-N 3.32Å; E501-Q505 PolarHBondContact OE1-NE2 2.99Å |
| 502 | L | 83 | Confident | 82.7 | Confident | 84 Ų | 84 | 101.6 Ų | 101.6 | 44% | 0.44 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.3 | -46 | 172 | -72.4 | 168.1 | 0 | 0 | 0 | 111.1 | R498 V499 R504 Q505 L506 | R498-L502 HydrophobicContact CG-CD1 4.32Å; R498-L502 WeakPolarHBondContact O-CB 3.4Å; R498-L502 VanDerWaalsContact O-CG 3.27Å; R498-L502 WeakPolarHBondContact O-CG 3.4Å; R498-L502 PolarHBondContact O-N 3.41Å; V499-L502 CarbonylContact O-C 3.6Å; V499-L502 WeakPolarHBondContact O-CB 3.38Å; V499-L502 PolarHBondContact O-N 3.46Å; V499-L502 VanDerWaalsContact O-N 3.11Å; L502-R504 PolarHBondContact O-N 2.85Å; L502-Q505 CarbonylContact O-C 3.54Å; L502-Q505 WeakPolarHBondContact O-CA 3.44Å; L502-Q505 WeakPolarHBondContact O-CB 3.44Å; L502-Q505 PolarHBondContact O-N 3.21Å; L502-L506 WeakPolarHBondContact O-CB 3.46Å; L502-L506 WeakPolarHBondContact O-CG 3.46Å; L502-L506 PolarHBondContact O-N 3.39Å |
| 503 | E | 86.1 | Confident | 82.7 | Confident | 107 Ų | 107 | 99.8 Ų | 99.8 | 50% | 0.5 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -55.4 | -38.2 | 172 | -71.4 | 167.7 | 165.9 | 0 | 0 | 111.8 | V499 L506 S507 | V499-E503 HydrophobicContact CG1-CG 4.32Å; V499-E503 WeakPolarHBondContact O-CB 3.41Å; V499-E503 WeakPolarHBondContact O-CG 3.48Å; V499-E503 PolarHBondContact O-N 3.05Å; E503-L506 PolarHBondContact O-N 3.23Å; E503-S507 WeakPolarHBondContact O-CB 3.12Å; E503-S507 PolarHBondContact O-N 3.04Å; E503-S507 PolarHBondContact O-OG 2.77Å |
| 504 | R | 81.8 | Confident | 82.9 | Confident | 111 Ų | 111 | 94 Ų | 94 | 42% | 0.419 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 172.5 | -166.5 | -177.9 | 68.9 | 86.1 | -0.5 | 112.5 | R500 E501 L502 L506 S507 R508 | R500-R504 VanDerWaalsContact O-CB 3.31Å; R500-R504 WeakPolarHBondContact O-CB 3.43Å; R500-R504 PolarHBondContact O-N 3.19Å; E501-R504 WeakPolarHBondContact O-CB 3.48Å; E501-R504 PolarHBondContact O-N 3.47Å; E501-R504 IonicContact OE1-CZ 3.48Å; E501-R504 IonicContact OE1-NE 3.7Å; E501-R504 IonicContact OE1-NH2 2.68Å; E501-R504 PolarHBondContact OE1-NH2 3.46Å; E501-R504 IonicContact OE2-CZ 3.15Å; E501-R504 IonicContact OE2-NE 2.76Å; E501-R504 PolarHBondContact OE2-NE 3.2Å; E501-R504 IonicContact OE2-NH2 2.73Å; E501-R504 PolarHBondContact OE2-NH2 3.39Å; L502-R504 PolarHBondContact O-N 2.85Å; R504-L506 VanDerWaalsContact C-N 3.35Å; R504-S507 WeakPolarHBondContact CA-OG 3.33Å; R504-S507 PolarHBondContact O-N 3.03Å; R504-S507 PolarHBondContact O-OG 3.43Å; R504-R508 WeakPolarHBondContact O-CB 3.34Å; R504-R508 WeakPolarHBondContact O-CG 3.39Å; R504-R508 PolarHBondContact O-N 2.9Å |
| 505 | Q | 72.5 | Confident | 83 | Confident | 90 Ų | 90 | 96.7 Ų | 96.7 | 42% | 0.421 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.7 | -35.3 | 174.2 | -71.2 | 171.5 | 23.8 | 0 | 0 | 112.3 | E501 L502 | E501-Q505 WeakPolarHBondContact O-CG 3.37Å; E501-Q505 PolarHBondContact O-N 3.32Å; E501-Q505 PolarHBondContact OE1-NE2 2.99Å; L502-Q505 CarbonylContact O-C 3.54Å; L502-Q505 WeakPolarHBondContact O-CA 3.44Å; L502-Q505 WeakPolarHBondContact O-CB 3.44Å; L502-Q505 PolarHBondContact O-N 3.21Å |
| 506 | L | 72.3 | Confident | 83 | Confident | 77 Ų | 77 | 94.8 Ų | 94.8 | 40% | 0.403 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 174 | -67.8 | 168.3 | 0 | 0 | 0 | 111.2 | L502 E503 R504 | L502-L506 WeakPolarHBondContact O-CB 3.46Å; L502-L506 WeakPolarHBondContact O-CG 3.46Å; L502-L506 PolarHBondContact O-N 3.39Å; E503-L506 PolarHBondContact O-N 3.23Å; R504-L506 VanDerWaalsContact C-N 3.35Å |
| 507 | S | 69.2 | Low | 83 | Confident | 96 Ų | 96 | 92 Ų | 92 | 67% | 0.671 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -83.1 | -13.9 | -178.9 | 50.1 | 0 | 0 | 0 | 0 | 115 | E503 R504 G509 | E503-S507 WeakPolarHBondContact O-CB 3.12Å; E503-S507 PolarHBondContact O-N 3.04Å; E503-S507 PolarHBondContact O-OG 2.77Å; R504-S507 WeakPolarHBondContact CA-OG 3.33Å; R504-S507 PolarHBondContact O-N 3.03Å; R504-S507 PolarHBondContact O-OG 3.43Å; S507-G509 PolarHBondContact O-N 3.38Å |
| 508 | R | 68.4 | Low | 83 | Confident | 145 Ų | 145 | 96.2 Ų | 96.2 | 55% | 0.547 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -3.3 | 172.2 | -83.8 | 173.5 | 72.4 | 173.6 | 7.1 | 114.7 | R504 D510 | R504-R508 WeakPolarHBondContact O-CB 3.34Å; R504-R508 WeakPolarHBondContact O-CG 3.39Å; R504-R508 PolarHBondContact O-N 2.9Å; R508-D510 IonicContact CZ-OD2 3.75Å; R508-D510 IonicContact NE-OD2 3.56Å; R508-D510 IonicContact NH2-OD2 3.55Å; R508-D510 PolarHBondContact O-N 3.13Å; R508-D510 VanDerWaalsContact O-N 3.08Å |
| 509 | G | 63.6 | Low | 83 | Confident | 27 Ų | 27 | 93.2 Ų | 93.2 | 28% | 0.278 | 45% | 0.45 | S | S | . | . | S | Bend | trans | 73 | -6.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S507 R511 Y512 | S507-G509 PolarHBondContact O-N 3.38Å; G509-R511 PolarHBondContact O-N 3.21Å; G509-Y512 PolarHBondContact O-N 2.92Å |
| 510 | D | 67.4 | Low | 82.9 | Confident | 78 Ų | 78 | 93.5 Ų | 93.5 | 42% | 0.417 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -11.8 | -175 | -83.7 | -41.5 | 0 | 0 | 0 | 114.8 | R508 K513 | R508-D510 IonicContact CZ-OD2 3.75Å; R508-D510 IonicContact NE-OD2 3.56Å; R508-D510 IonicContact NH2-OD2 3.55Å; R508-D510 PolarHBondContact O-N 3.13Å; R508-D510 VanDerWaalsContact O-N 3.08Å; D510-K513 VanDerWaalsContact OD1-CE 3.28Å; D510-K513 WeakPolarHBondContact OD1-CE 3.33Å; D510-K513 IonicContact OD1-NZ 2.88Å; D510-K513 PolarHBondContact OD1-NZ 2.87Å |
| 511 | R | 71.6 | Confident | 83 | Confident | 149 Ų | 149 | 87.4 Ų | 87.4 | 56% | 0.562 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -20.1 | 176 | -56.9 | -158.7 | -56 | 172.8 | 0.4 | 115 | G509 | G509-R511 PolarHBondContact O-N 3.21Š|
| 512 | Y | 82.6 | Confident | 83.2 | Confident | 96 Ų | 96 | 87.9 Ų | 87.9 | 38% | 0.376 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -117.5 | 62.5 | -169.4 | -55.9 | -71 | 0 | 0 | 0 | 111 | G509 Y521 | G509-Y512 PolarHBondContact O-N 2.92Å; Y512-Y521 VanDerWaalsContact C-CD2 3.49Å; Y512-Y521 WeakPolarHBondContact O-CD2 3.5Å; Y512-Y521 PolarHBondContact O-N 3.37Å |
| 513 | K | 91.1 | Very high | 83.8 | Confident | 80 Ų | 80 | 88.4 Ų | 88.4 | 35% | 0.348 | 45% | 0.445 | S | S | . | . | B | Isolated β-bridge | trans | -109.8 | 141.1 | 178.4 | -69.1 | 176.1 | 172.9 | 177.4 | 0 | 111.3 | D510 M518 D519 Y521 | D510-K513 VanDerWaalsContact OD1-CE 3.28Å; D510-K513 WeakPolarHBondContact OD1-CE 3.33Å; D510-K513 IonicContact OD1-NZ 2.88Å; D510-K513 PolarHBondContact OD1-NZ 2.87Å; K513-M518 WeakPolarHBondContact CD-O 3.39Å; K513-D519 CarbonylContact C-O 3.54Å; K513-D519 VanDerWaalsContact CA-O 3.26Å; K513-D519 WeakPolarHBondContact CA-O 3.3Å; K513-Y521 PolarHBondContact O-OH 3.42Å |
| 514 | C | 94.4 | Very high | 84.3 | Confident | 1 Ų | 1 | 84.1 Ų | 84.1 | 1% | 0.007 | 43% | 0.426 | C | S | . | . | trans | -74.6 | 128.4 | 174.5 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | I516 M518 D519 Y521 H534 C535 | C514-I516 PolarHBondContact O-N 3.29Å; C514-M518 WeakPolarHBondContact O-CA 3.45Å; C514-M518 PolarHBondContact O-N 3.17Å; C514-D519 PolarHBondContact N-O 3.16Å; C514-Y521 VanDerWaalsContact CA-CE1 3.49Å; C514-Y521 HydrophobicContact CB-CD1 3.77Å; C514-Y521 HydrophobicContact CB-CE1 3.65Å; C514-H534 PolarHBondContact SG-ND1 2.85Å; C514-H534 VanDerWaalsContact SG-ND1 3.41Å; C514-C535 WeakPolarHBondContact CB-SG 3.45Å | ||
| 515 | L | 93.3 | Very high | 85 | Confident | 118 Ų | 118 | 78.8 Ų | 78.8 | 62% | 0.618 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -3.5 | -178.7 | -57.5 | -179 | 0 | 0 | 0 | 114.9 | Q551 | L515-Q551 HydrophobicContact CD1-CG 4.28Š|
| 516 | I | 94.6 | Very high | 86.1 | Confident | 70 Ų | 70 | 74.9 Ų | 74.9 | 36% | 0.359 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -56.7 | -179.8 | -64.9 | 167.4 | 0 | 0 | 0 | 111.2 | C514 H534 C538 P550 | C514-I516 PolarHBondContact O-N 3.29Å; I516-H534 HydrophobicContact CD1-CB 4.33Å; I516-H534 WeakPolarHBondContact CD1-ND1 3.33Å; I516-C538 HydrophobicContact CB-CB 3.93Å; I516-C538 HydrophobicContact CD1-CB 3.75Å; I516-C538 HydrophobicContact CG1-CB 4.44Å; I516-C538 HydrophobicContact CG2-CB 3.9Å; I516-P550 HydrophobicContact CD1-CB 3.71Å; I516-P550 HydrophobicContact CD1-CG 3.71Å; I516-P550 HydrophobicContact CG1-CB 4.46Å |
| 517 | C | 94.3 | Very high | 87.3 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 32% | 0.324 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -10.6 | 177.6 | 61.1 | 0 | 0 | 0 | 0 | 113.7 | D519 C535 | C517-D519 PolarHBondContact O-N 3.35Å; C517-C535 VanDerWaalsContact SG-SG 3.68Å |
| 518 | M | 92.3 | Very high | 88.5 | Confident | 146 Ų | 146 | 67.5 Ų | 67.5 | 72% | 0.719 | 34% | 0.342 | S | S | * | . | trans | 63.7 | -5 | -175.7 | -51.8 | -172.1 | -175.5 | 0 | 0 | 115.8 | K513 C514 | K513-M518 WeakPolarHBondContact CD-O 3.39Å; C514-M518 WeakPolarHBondContact O-CA 3.45Å; C514-M518 PolarHBondContact O-N 3.17Å | ||
| 519 | D | 91.6 | Very high | 89.7 | Confident | 110 Ų | 110 | 65.2 Ų | 65.2 | 59% | 0.588 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -82.6 | 170.4 | 172.9 | -62.4 | -48.6 | 0 | 0 | 0 | 113.1 | K513 C514 C517 | K513-D519 CarbonylContact C-O 3.54Å; K513-D519 VanDerWaalsContact CA-O 3.26Å; K513-D519 WeakPolarHBondContact CA-O 3.3Å; C514-D519 PolarHBondContact N-O 3.16Å; C517-D519 PolarHBondContact O-N 3.35Å |
| 520 | S | 91.2 | Very high | 91.2 | Very high | 81 Ų | 81 | 64.9 Ų | 64.9 | 57% | 0.566 | 33% | 0.33 | S | S | * | . | B | Isolated β-bridge | trans | -55.2 | 147 | 166.6 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | S522 | S520-S522 PolarHBondContact O-N 3.47Å |
| 521 | Y | 93.3 | Very high | 92.6 | Very high | 56 Ų | 56 | 68.6 Ų | 68.6 | 22% | 0.22 | 34% | 0.339 | C | S | . | . | trans | -61.8 | 112 | -177.1 | -68.9 | -78.8 | 0 | 0 | 0 | 113.3 | Y512 K513 C514 P524 V533 L566 | Y512-Y521 VanDerWaalsContact C-CD2 3.49Å; Y512-Y521 WeakPolarHBondContact O-CD2 3.5Å; Y512-Y521 PolarHBondContact O-N 3.37Å; K513-Y521 PolarHBondContact O-OH 3.42Å; C514-Y521 VanDerWaalsContact CA-CE1 3.49Å; C514-Y521 HydrophobicContact CB-CD1 3.77Å; C514-Y521 HydrophobicContact CB-CE1 3.65Å; Y521-P524 HydrophobicContact CD1-CB 4.13Å; Y521-P524 HydrophobicContact CG-CB 4.11Å; Y521-V533 HydrophobicContact CD1-CG1 4.09Å; Y521-V533 HydrophobicContact CE1-CB 4.3Å; Y521-V533 HydrophobicContact CE1-CG1 3.72Å; Y521-L566 HydrophobicContact CD2-CD1 3.48Å; Y521-L566 VanDerWaalsContact CD2-CD1 3.48Å; Y521-L566 HydrophobicContact CE2-CD1 3.91Å; Y521-L566 HydrophobicContact CG-CD1 3.93Å | ||
| 522 | S | 93.6 | Very high | 93.8 | Very high | 75 Ų | 75 | 64 Ų | 64 | 52% | 0.524 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -86.7 | 114.7 | 162.8 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | S520 C535 E536 | S520-S522 PolarHBondContact O-N 3.47Å; S522-C535 PolarHBondContact N-SG 3.44Å; S522-C535 VanDerWaalsContact N-SG 3.38Å; S522-C535 VanDerWaalsContact O-CA 3.29Å; S522-C535 WeakPolarHBondContact O-CA 3.34Å; S522-C535 WeakPolarHBondContact O-CB 3.5Å; S522-E536 PolarHBondContact O-N 3.01Å |
| 523 | M | 95.1 | Very high | 94.5 | Very high | 95 Ų | 95 | 60.8 Ų | 60.8 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 48.4 | 70 | -178.4 | -62 | -173 | -68.5 | 0 | 0 | 112.6 | L525 E536 R563 | M523-L525 PolarHBondContact O-N 2.92Å; M523-E536 HydrophobicContact CB-CB 3.97Å; M523-E536 WeakPolarHBondContact CB-OE2 3.38Å; M523-E536 WeakPolarHBondContact CE-OE2 3.33Å; M523-E536 WeakPolarHBondContact O-CB 3.39Å; M523-E536 PolarHBondContact O-N 3.38Å; M523-R563 PolarHBondContact SD-NH1 2.98Å |
| 524 | P | 96 | Very high | 94.7 | Very high | 17 Ų | 17 | 57 Ų | 57 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 128.9 | -177 | 22.6 | -29.9 | 0 | 0 | 0 | 111.8 | Y521 V533 H534 I564 L566 | Y521-P524 HydrophobicContact CD1-CB 4.13Å; Y521-P524 HydrophobicContact CG-CB 4.11Å; P524-V533 HydrophobicContact CB-CG1 3.79Å; P524-H534 WeakPolarHBondContact CA-O 3.38Å; P524-I564 HydrophobicContact CB-CD1 4.42Å; P524-I564 HydrophobicContact CB-CG1 3.91Å; P524-I564 HydrophobicContact CG-CG1 4.15Å; P524-I564 WeakPolarHBondContact O-CG1 3.27Å; P524-I564 PolarHBondContact O-N 3.37Å; P524-L566 HydrophobicContact CB-CD1 3.82Å; P524-L566 HydrophobicContact CB-CG 4.33Å; P524-L566 HydrophobicContact CG-CD1 3.92Å; P524-L566 HydrophobicContact CG-CG 4.06Å |
| 525 | L | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 144 | 169.7 | -42.1 | -178.4 | 0 | 0 | 0 | 110.1 | Y409 M523 V533 H534 E536 W539 L561 R562 R563 | Y409-L525 HydrophobicContact CD2-CD1 4.29Å; Y409-L525 HydrophobicContact CE1-CD1 4.33Å; Y409-L525 HydrophobicContact CE2-CD1 3.63Å; Y409-L525 HydrophobicContact CE2-CD2 3.87Å; Y409-L525 HydrophobicContact CE2-CG 4.39Å; Y409-L525 WeakPolarHBondContact OH-CD2 3.48Å; M523-L525 PolarHBondContact O-N 2.92Å; L525-V533 WeakPolarHBondContact O-CA 3.42Å; L525-H534 PolarHBondContact N-O 2.97Å; L525-H534 PolarHBondContact O-N 2.89Å; L525-H534 VanDerWaalsContact O-N 3.11Å; L525-E536 HydrophobicContact CD1-CB 3.97Å; L525-E536 HydrophobicContact CD1-CG 4.13Å; L525-E536 HydrophobicContact CD2-CB 4.32Å; L525-E536 HydrophobicContact CG-CB 4.03Å; L525-W539 HydrophobicContact CD1-CB 4.38Å; L525-W539 PolarHBondContact O-NE1 3.48Å; L525-L561 HydrophobicContact CD1-CB 4.21Å; L525-L561 HydrophobicContact CD1-CD1 3.95Å; L525-R562 CarbonylContact C-O 3.56Å; L525-R562 VanDerWaalsContact CA-O 3.3Å; L525-R562 WeakPolarHBondContact CA-O 3.19Å; L525-R563 HydrophobicContact CD2-CB 4.11Å; L525-R563 HydrophobicContact CD2-CG 3.42Å; L525-R563 VanDerWaalsContact CD2-CG 3.42Å |
| 526 | T | 96.6 | Very high | 95 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 5% | 0.049 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 153.2 | 166.4 | -161.3 | 0 | 0 | 0 | 0 | 110.7 | W531 H532 L561 R562 I564 | T526-W531 HydrophobicContact CG2-CE3 4.27Å; T526-W531 HydrophobicContact CG2-CZ3 4.41Å; T526-W531 VanDerWaalsContact OG1-C 3.23Å; T526-W531 WeakPolarHBondContact OG1-CA 3.44Å; T526-W531 PolarHBondContact OG1-O 3.43Å; T526-H532 WeakPolarHBondContact CA-O 3.25Å; T526-H532 PolarHBondContact OG1-O 2.96Å; T526-L561 CarbonylContact O-C 3.6Å; T526-L561 WeakPolarHBondContact O-CA 3.19Å; T526-R562 PolarHBondContact N-O 3.49Å; T526-R562 PolarHBondContact O-N 3.36Å; T526-I564 HydrophobicContact CG2-CG2 3.67Å |
| 527 | S | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 127.5 | 169.7 | 165.8 | 0 | 0 | 0 | 0 | 109.5 | Q529 C530 W531 T556 | S527-Q529 PolarHBondContact O-N 3.34Å; S527-Q529 VanDerWaalsContact O-N 3.15Å; S527-Q529 PolarHBondContact OG-N 2.9Å; S527-C530 PolarHBondContact O-N 2.94Å; S527-W531 VanDerWaalsContact O-CA 3.32Å; S527-W531 WeakPolarHBondContact O-CA 3.4Å; S527-W531 PolarHBondContact O-N 3.47Å; S527-T556 WeakPolarHBondContact OG-CG2 3.44Å |
| 528 | I | 94.6 | Very high | 95.2 | Very high | 18 Ų | 18 | 52.8 Ų | 52.8 | 9% | 0.092 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -23.4 | 177.1 | 64.9 | -176.6 | 0 | 0 | 0 | 112.6 | Y404 W531 D560 R562 | Y404-I528 HydrophobicContact CD1-CB 4.07Å; Y404-I528 HydrophobicContact CD1-CG2 3.51Å; Y404-I528 HydrophobicContact CD2-CD1 4.32Å; Y404-I528 HydrophobicContact CE1-CB 4.23Å; Y404-I528 HydrophobicContact CE1-CG2 4.1Å; Y404-I528 HydrophobicContact CG-CB 4.34Å; Y404-I528 HydrophobicContact CG-CD1 4.3Å; Y404-I528 HydrophobicContact CG-CG2 3.85Å; I528-W531 PolarHBondContact O-NE1 3.31Å; I528-D560 HydrophobicContact CG1-CB 3.99Å; I528-D560 PolarHBondContact N-O 2.96Å; I528-R562 HydrophobicContact CG2-CG 3.85Å |
| 529 | Q | 93.8 | Very high | 95.4 | Very high | 96 Ų | 96 | 45.9 Ų | 45.9 | 45% | 0.449 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -26 | -178.5 | -55 | -60.4 | -22.7 | 0 | 0 | 113.8 | S527 T554 D560 | S527-Q529 PolarHBondContact O-N 3.34Å; S527-Q529 VanDerWaalsContact O-N 3.15Å; S527-Q529 PolarHBondContact OG-N 2.9Å; Q529-T554 HydrophobicContact CB-CG2 4.36Å; Q529-D560 HydrophobicContact CG-CB 4.02Å; Q529-D560 VanDerWaalsContact CG-CG 3.46Å; Q529-D560 PolarHBondContact NE2-OD1 2.82Å |
| 530 | C | 95.8 | Very high | 95.7 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 14% | 0.142 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -148.3 | -1.5 | -170.7 | 70.2 | 0 | 0 | 0 | 0 | 115.9 | S527 H532 C549 T554 | S527-C530 PolarHBondContact O-N 2.94Å; C530-H532 PolarHBondContact O-CE1 3.48Å; C530-H532 PolarHBondContact O-N 3.16Å; C530-H532 PolarHBondContact O-ND1 3.2Å; C530-H532 PolarHBondContact SG-ND1 3.46Å; C530-H532 VanDerWaalsContact SG-ND1 3.37Å; C530-C549 PolarHBondContact SG-SG 2.92Å; C530-T554 HydrophobicContact CB-CG2 4.46Å |
| 531 | W | 96 | Very high | 95.9 | Very high | 155 Ų | 155 | 43.4 Ų | 43.4 | 59% | 0.587 | 21% | 0.207 | S | C | * | . | trans | 58.9 | 9.9 | 172.8 | -57.9 | 91.8 | 0 | 0 | 0 | 117 | Y404 T526 S527 I528 | Y404-W531 HydrophobicContact CD1-CH2 4.45Å; Y404-W531 AromaticContact CE1-CH2 3.75Å; Y404-W531 HydrophobicContact CE1-CH2 3.75Å; Y404-W531 AromaticContact CE1-CZ2 3.76Å; Y404-W531 HydrophobicContact CE1-CZ2 3.76Å; T526-W531 HydrophobicContact CG2-CE3 4.27Å; T526-W531 HydrophobicContact CG2-CZ3 4.41Å; T526-W531 VanDerWaalsContact OG1-C 3.23Å; T526-W531 WeakPolarHBondContact OG1-CA 3.44Å; T526-W531 PolarHBondContact OG1-O 3.43Å; S527-W531 VanDerWaalsContact O-CA 3.32Å; S527-W531 WeakPolarHBondContact O-CA 3.4Å; S527-W531 PolarHBondContact O-N 3.47Å; I528-W531 PolarHBondContact O-NE1 3.31Å | ||
| 532 | H | 96.6 | Very high | 96 | Very high | 54 Ų | 54 | 42.4 Ų | 42.4 | 25% | 0.25 | 21% | 0.206 | C | C | . | . | trans | -73.5 | 141 | 174.2 | -64.2 | 105.7 | 0 | 0 | 0 | 111.8 | T526 C530 W539 Q551 C552 | T526-H532 WeakPolarHBondContact CA-O 3.25Å; T526-H532 PolarHBondContact OG1-O 2.96Å; C530-H532 PolarHBondContact O-CE1 3.48Å; C530-H532 PolarHBondContact O-N 3.16Å; C530-H532 PolarHBondContact O-ND1 3.2Å; C530-H532 PolarHBondContact SG-ND1 3.46Å; C530-H532 VanDerWaalsContact SG-ND1 3.37Å; H532-W539 WeakPolarHBondContact O-CZ2 3.38Å; H532-Q551 HydrophobicContact CB-CB 4.4Å; H532-Q551 PolarHBondContact CD2-OE1 3Å; H532-C552 PolarHBondContact CE1-SG 3.39Å; H532-C552 PolarHBondContact ND1-SG 3.07Å; H532-C552 VanDerWaalsContact ND1-SG 3.41Å | ||
| 533 | V | 96.8 | Very high | 96.1 | Very high | 28 Ų | 28 | 38.8 Ų | 38.8 | 17% | 0.17 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 133.6 | -174.6 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | Y521 P524 L525 Q551 I564 L566 | Y521-V533 HydrophobicContact CD1-CG1 4.09Å; Y521-V533 HydrophobicContact CE1-CB 4.3Å; Y521-V533 HydrophobicContact CE1-CG1 3.72Å; P524-V533 HydrophobicContact CB-CG1 3.79Å; L525-V533 WeakPolarHBondContact O-CA 3.42Å; V533-Q551 PolarHBondContact O-NE2 3.31Å; V533-I564 HydrophobicContact CB-CD1 4.45Å; V533-I564 HydrophobicContact CG1-CD1 3.82Å; V533-I564 HydrophobicContact CG2-CD1 3.69Å; V533-L566 HydrophobicContact CG1-CD1 4.29Å |
| 534 | H | 96.9 | Very high | 96 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 165.3 | 169.5 | -65.1 | -80.1 | 0 | 0 | 0 | 110.8 | C514 I516 P524 L525 C538 W539 Q551 | C514-H534 PolarHBondContact SG-ND1 2.85Å; C514-H534 VanDerWaalsContact SG-ND1 3.41Å; I516-H534 HydrophobicContact CD1-CB 4.33Å; I516-H534 WeakPolarHBondContact CD1-ND1 3.33Å; P524-H534 WeakPolarHBondContact CA-O 3.38Å; L525-H534 PolarHBondContact N-O 2.97Å; L525-H534 PolarHBondContact O-N 2.89Å; L525-H534 VanDerWaalsContact O-N 3.11Å; H534-C538 HydrophobicContact CB-CB 4.25Å; H534-W539 HydrophobicContact CB-CG 4.18Å; H534-W539 AromaticContact CD2-CE2 3.97Å; H534-Q551 PolarHBondContact CE1-NE2 3.31Å; H534-Q551 WeakPolarHBondContact NE2-CG 3.42Å; H534-Q551 PolarHBondContact NE2-NE2 3.42Å |
| 535 | C | 96.8 | Very high | 95.8 | Very high | 6 Ų | 6 | 38 Ų | 38 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 149.4 | 168 | -53.2 | 0 | 0 | 0 | 0 | 111.1 | C514 C517 S522 E537 C538 W539 | C514-C535 WeakPolarHBondContact CB-SG 3.45Å; C517-C535 VanDerWaalsContact SG-SG 3.68Å; S522-C535 PolarHBondContact N-SG 3.44Å; S522-C535 VanDerWaalsContact N-SG 3.38Å; S522-C535 VanDerWaalsContact O-CA 3.29Å; S522-C535 WeakPolarHBondContact O-CA 3.34Å; S522-C535 WeakPolarHBondContact O-CB 3.5Å; C535-E537 PolarHBondContact O-N 3.45Å; C535-C538 HydrophobicContact CB-CB 4.18Å; C535-C538 WeakPolarHBondContact O-CB 3.5Å; C535-C538 PolarHBondContact O-N 3.34Å; C535-W539 PolarHBondContact O-N 3.02Å |
| 536 | E | 96.8 | Very high | 95.5 | Very high | 23 Ų | 23 | 44.4 Ų | 44.4 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -48.8 | -54.4 | 176.3 | 172.4 | 164.8 | -156 | 0 | 0 | 113.2 | Y409 S522 M523 L525 C538 W539 L540 R563 | Y409-E536 HydrophobicContact CE1-CG 4.24Å; Y409-E536 WeakPolarHBondContact CE1-OE1 3.48Å; Y409-E536 PolarHBondContact OH-OE1 3.37Å; Y409-E536 PolarHBondContact OH-OE2 3.15Å; S522-E536 PolarHBondContact O-N 3.01Å; M523-E536 HydrophobicContact CB-CB 3.97Å; M523-E536 WeakPolarHBondContact CB-OE2 3.38Å; M523-E536 WeakPolarHBondContact CE-OE2 3.33Å; M523-E536 WeakPolarHBondContact O-CB 3.39Å; M523-E536 PolarHBondContact O-N 3.38Å; L525-E536 HydrophobicContact CD1-CB 3.97Å; L525-E536 HydrophobicContact CD1-CG 4.13Å; L525-E536 HydrophobicContact CD2-CB 4.32Å; L525-E536 HydrophobicContact CG-CB 4.03Å; E536-C538 VanDerWaalsContact C-N 3.3Å; E536-C538 PolarHBondContact O-N 3.08Å; E536-W539 PolarHBondContact O-N 3.33Å; E536-L540 HydrophobicContact CG-CD1 3.81Å; E536-L540 WeakPolarHBondContact O-CG 3.31Å; E536-L540 PolarHBondContact O-N 2.9Å; E536-R563 IonicContact OE1-CZ 2.65Å; E536-R563 IonicContact OE1-NH1 3.56Å; E536-R563 IonicContact OE1-NH2 3.96Å; E536-R563 PolarHBondContact OE1-NH2 3.45Å; E536-R563 IonicContact OE2-CZ 3.99Å; E536-R563 VanDerWaalsContact OE2-CZ 3.23Å; E536-R563 IonicContact OE2-NH1 3.23Å; E536-R563 PolarHBondContact OE2-NH1 2.88Å; E536-R563 IonicContact OE2-NH2 3.72Å; E536-R563 PolarHBondContact OE2-NH2 3.38Å |
| 537 | E | 96.5 | Very high | 95.4 | Very high | 104 Ų | 104 | 48 Ų | 48 | 49% | 0.486 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.9 | -37.3 | 177.2 | -74.3 | -165.2 | -136.5 | 0 | 0 | 113.3 | I415 C535 W539 L540 R541 | I415-E537 HydrophobicContact CD1-CG 4.37Å; C535-E537 PolarHBondContact O-N 3.45Å; E537-W539 VanDerWaalsContact C-N 3.35Å; E537-L540 PolarHBondContact O-N 2.93Å; E537-R541 VanDerWaalsContact O-CB 3.27Å; E537-R541 WeakPolarHBondContact O-CB 3.43Å; E537-R541 WeakPolarHBondContact O-CG 3.43Å; E537-R541 PolarHBondContact O-N 3.45Å; E537-R541 IonicContact OE2-CZ 3.97Å; E537-R541 IonicContact OE2-NE 2.71Å; E537-R541 PolarHBondContact OE2-NE 3.47Å; E537-R541 IonicContact OE2-NH2 2.75Å; E537-R541 PolarHBondContact OE2-NH2 2.86Å |
| 538 | C | 96.6 | Very high | 95.4 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 10% | 0.101 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.2 | -37.8 | -179 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | I516 H534 C535 E536 T542 | I516-C538 HydrophobicContact CB-CB 3.93Å; I516-C538 HydrophobicContact CD1-CB 3.75Å; I516-C538 HydrophobicContact CG1-CB 4.44Å; I516-C538 HydrophobicContact CG2-CB 3.9Å; H534-C538 HydrophobicContact CB-CB 4.25Å; C535-C538 HydrophobicContact CB-CB 4.18Å; C535-C538 WeakPolarHBondContact O-CB 3.5Å; C535-C538 PolarHBondContact O-N 3.34Å; E536-C538 VanDerWaalsContact C-N 3.3Å; E536-C538 PolarHBondContact O-N 3.08Å; C538-T542 WeakPolarHBondContact O-CB 3.4Å; C538-T542 PolarHBondContact O-N 3.33Å; C538-T542 PolarHBondContact O-OG1 2.92Å |
| 539 | W | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -55.8 | 170.3 | -93.7 | 119.5 | 0 | 0 | 0 | 111.2 | L525 H532 H534 C535 E536 E537 R541 T542 L543 C549 P550 T556 L561 | L525-W539 HydrophobicContact CD1-CB 4.38Å; L525-W539 PolarHBondContact O-NE1 3.48Å; H532-W539 WeakPolarHBondContact O-CZ2 3.38Å; H534-W539 HydrophobicContact CB-CG 4.18Å; H534-W539 AromaticContact CD2-CE2 3.97Å; C535-W539 PolarHBondContact O-N 3.02Å; E536-W539 PolarHBondContact O-N 3.33Å; E537-W539 VanDerWaalsContact C-N 3.35Å; W539-R541 PolarHBondContact O-N 2.9Å; W539-T542 PolarHBondContact O-N 3.01Å; W539-L543 HydrophobicContact CE3-CD1 4.29Å; W539-L543 HydrophobicContact CE3-CD2 4.36Å; W539-L543 HydrophobicContact CE3-CG 4.18Å; W539-L543 HydrophobicContact CZ3-CD2 4.35Å; W539-L543 WeakPolarHBondContact O-CG 3.34Å; W539-L543 PolarHBondContact O-N 3.19Å; W539-C549 HydrophobicContact CH2-CB 3.97Å; W539-C549 HydrophobicContact CZ3-CB 4.37Å; W539-P550 HydrophobicContact CE3-CG 4.31Å; W539-P550 HydrophobicContact CZ3-CG 4.35Å; W539-T556 HydrophobicContact CH2-CG2 4.06Å; W539-T556 HydrophobicContact CZ3-CG2 3.76Å; W539-L561 HydrophobicContact CB-CD1 3.86Å; W539-L561 HydrophobicContact CD2-CD1 4.32Å; W539-L561 HydrophobicContact CD2-CD2 3.59Å; W539-L561 HydrophobicContact CE3-CD1 4.48Å; W539-L561 HydrophobicContact CE3-CD2 3.79Å; W539-L561 HydrophobicContact CG-CD1 4.09Å; W539-L561 HydrophobicContact CG-CD2 4.01Å; W539-L561 HydrophobicContact CH2-CD2 4.22Å; W539-L561 HydrophobicContact CZ2-CD2 4.07Å; W539-L561 HydrophobicContact CZ3-CD2 4.08Å |
| 540 | L | 96.6 | Very high | 95.5 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.8 | -38.2 | -173.5 | -64.8 | 172 | 0 | 0 | 0 | 112.7 | Y409 D413 I415 E536 E537 G544 L561 | Y409-L540 HydrophobicContact CD1-CD1 4.36Å; Y409-L540 HydrophobicContact CD1-CD2 4.05Å; Y409-L540 HydrophobicContact CE1-CD1 4.2Å; D413-L540 HydrophobicContact CB-CD2 4.3Å; I415-L540 HydrophobicContact CD1-CB 3.99Å; I415-L540 HydrophobicContact CG1-CB 4.04Å; I415-L540 PolarHBondContact N-O 3.44Å; E536-L540 HydrophobicContact CG-CD1 3.81Å; E536-L540 WeakPolarHBondContact O-CG 3.31Å; E536-L540 PolarHBondContact O-N 2.9Å; E537-L540 PolarHBondContact O-N 2.93Å; L540-G544 PolarHBondContact O-N 2.9Å; L540-L561 HydrophobicContact CD2-CD1 4.48Å |
| 541 | R | 95.6 | Very high | 95.4 | Very high | 129 Ų | 129 | 49.9 Ų | 49.9 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.8 | -40 | 171.9 | -69 | 172.3 | -168 | -89.5 | 4.2 | 112.1 | I415 E537 W539 G544 A545 | I415-R541 HydrophobicContact CB-CG 3.93Å; I415-R541 HydrophobicContact CD1-CG 3.87Å; I415-R541 HydrophobicContact CG2-CG 3.85Å; E537-R541 VanDerWaalsContact O-CB 3.27Å; E537-R541 WeakPolarHBondContact O-CB 3.43Å; E537-R541 WeakPolarHBondContact O-CG 3.43Å; E537-R541 PolarHBondContact O-N 3.45Å; E537-R541 IonicContact OE2-CZ 3.97Å; E537-R541 IonicContact OE2-NE 2.71Å; E537-R541 PolarHBondContact OE2-NE 3.47Å; E537-R541 IonicContact OE2-NH2 2.75Å; E537-R541 PolarHBondContact OE2-NH2 2.86Å; W539-R541 PolarHBondContact O-N 2.9Å; R541-G544 PolarHBondContact O-N 3.22Å; R541-A545 PolarHBondContact O-N 2.71Å |
| 542 | T | 95.1 | Very high | 95.5 | Very high | 34 Ų | 34 | 44.9 Ų | 44.9 | 21% | 0.209 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.3 | -44.5 | 177.9 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | C538 W539 G544 A545 K546 P550 | C538-T542 WeakPolarHBondContact O-CB 3.4Å; C538-T542 PolarHBondContact O-N 3.33Å; C538-T542 PolarHBondContact O-OG1 2.92Å; W539-T542 PolarHBondContact O-N 3.01Å; T542-G544 PolarHBondContact O-N 2.71Å; T542-A545 PolarHBondContact O-N 3.18Å; T542-K546 PolarHBondContact O-N 2.79Å; T542-P550 HydrophobicContact CG2-CB 4.2Å; T542-P550 HydrophobicContact CG2-CG 3.83Å |
| 543 | L | 95.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -16.6 | 175.9 | -63.9 | -173.4 | 0 | 0 | 0 | 113.6 | V414 W539 K546 K547 T556 P558 L561 | V414-L543 HydrophobicContact CG2-CB 4.5Å; W539-L543 HydrophobicContact CE3-CD1 4.29Å; W539-L543 HydrophobicContact CE3-CD2 4.36Å; W539-L543 HydrophobicContact CE3-CG 4.18Å; W539-L543 HydrophobicContact CZ3-CD2 4.35Å; W539-L543 WeakPolarHBondContact O-CG 3.34Å; W539-L543 PolarHBondContact O-N 3.19Å; L543-K546 WeakPolarHBondContact CA-O 3.27Å; L543-K547 WeakPolarHBondContact O-CD 3.45Å; L543-K547 WeakPolarHBondContact O-CE 3.36Å; L543-K547 PolarHBondContact O-NZ 3.36Å; L543-T556 VanDerWaalsContact CD2-O 3.25Å; L543-T556 WeakPolarHBondContact CD2-O 3.37Å; L543-P558 HydrophobicContact CD1-CB 4.43Å; L543-P558 HydrophobicContact CD1-CG 4.14Å; L543-L561 HydrophobicContact CD1-CD1 3.8Å; L543-L561 HydrophobicContact CD1-CG 4.38Å |
| 544 | G | 93.3 | Very high | 95.4 | Very high | 30 Ų | 30 | 49 Ų | 49 | 31% | 0.309 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -75.5 | -31.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V414 L540 R541 T542 | V414-G544 VanDerWaalsContact CG1-N 3.28Å; L540-G544 PolarHBondContact O-N 2.9Å; R541-G544 PolarHBondContact O-N 3.22Å; T542-G544 PolarHBondContact O-N 2.71Å |
| 545 | A | 91.8 | Very high | 95.3 | Very high | 64 Ų | 64 | 55.2 Ų | 55.2 | 53% | 0.529 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -86.4 | -42.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R541 T542 | R541-A545 PolarHBondContact O-N 2.71Å; T542-A545 PolarHBondContact O-N 3.18Å |
| 546 | K | 90.2 | Very high | 95.3 | Very high | 135 Ų | 135 | 54.9 Ų | 54.9 | 59% | 0.587 | 29% | 0.291 | S | S | * | . | trans | -151.4 | 125.1 | -168.4 | -60.5 | 175.9 | -173.4 | 170.8 | 0 | 109.4 | T542 L543 L548 | T542-K546 PolarHBondContact O-N 2.79Å; L543-K546 WeakPolarHBondContact CA-O 3.27Å; K546-L548 HydrophobicContact CB-CG 4.47Å; K546-L548 PolarHBondContact O-N 2.86Å | ||
| 547 | K | 94.6 | Very high | 95.2 | Very high | 85 Ų | 85 | 55.5 Ų | 55.5 | 37% | 0.37 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -74.4 | 46.9 | 176.7 | -56.4 | -64.3 | 176.1 | -171.5 | 0 | 113 | E411 L543 T556 | E411-K547 IonicContact OE1-NZ 2.71Å; E411-K547 WeakPolarHBondContact OE2-CE 3.41Å; E411-K547 IonicContact OE2-NZ 2.95Å; E411-K547 PolarHBondContact OE2-NZ 3.06Å; L543-K547 WeakPolarHBondContact O-CD 3.45Å; L543-K547 WeakPolarHBondContact O-CE 3.36Å; L543-K547 PolarHBondContact O-NZ 3.36Å; K547-T556 CarbonylContact C-O 3.6Å; K547-T556 VanDerWaalsContact C-O 3.29Å; K547-T556 PolarHBondContact O-N 2.88Å |
| 548 | L | 95.9 | Very high | 95.1 | Very high | 56 Ų | 56 | 50.6 Ų | 50.6 | 29% | 0.293 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -136.3 | 147.3 | -172 | -55.3 | 177.7 | 0 | 0 | 0 | 109.9 | K546 N553 T554 I555 | K546-L548 HydrophobicContact CB-CG 4.47Å; K546-L548 PolarHBondContact O-N 2.86Å; L548-N553 HydrophobicContact CD1-CB 4.48Å; L548-T554 CarbonylContact C-O 3.54Å; L548-T554 WeakPolarHBondContact CA-O 3.38Å; L548-I555 HydrophobicContact CD2-CB 4.47Å; L548-I555 HydrophobicContact CD2-CG1 3.88Å |
| 549 | C | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -60.3 | 131.6 | 171.8 | 174.9 | 0 | 0 | 0 | 0 | 111.8 | C530 W539 Q551 N553 T554 | C530-C549 PolarHBondContact SG-SG 2.92Å; W539-C549 HydrophobicContact CH2-CB 3.97Å; W539-C549 HydrophobicContact CZ3-CB 4.37Å; C549-Q551 PolarHBondContact O-N 3.36Å; C549-Q551 PolarHBondContact SG-N 2.91Å; C549-N553 WeakPolarHBondContact O-CA 3.44Å; C549-N553 PolarHBondContact O-N 3.16Å; C549-T554 PolarHBondContact N-O 3.38Å | ||
| 550 | P | 94.4 | Very high | 94.9 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.1 | -179.7 | -14.5 | 20.4 | 0 | 0 | 0 | 115.5 | I516 W539 T542 | I516-P550 HydrophobicContact CD1-CB 3.71Å; I516-P550 HydrophobicContact CD1-CG 3.71Å; I516-P550 HydrophobicContact CG1-CB 4.46Å; W539-P550 HydrophobicContact CE3-CG 4.31Å; W539-P550 HydrophobicContact CZ3-CG 4.35Å; T542-P550 HydrophobicContact CG2-CB 4.2Å; T542-P550 HydrophobicContact CG2-CG 3.83Å |
| 551 | Q | 95.1 | Very high | 94.9 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 36% | 0.355 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -48.3 | -176.8 | -69.4 | 179.6 | 45.7 | 0 | 0 | 113 | L515 H532 V533 H534 C549 | L515-Q551 HydrophobicContact CD1-CG 4.28Å; H532-Q551 HydrophobicContact CB-CB 4.4Å; H532-Q551 PolarHBondContact CD2-OE1 3Å; V533-Q551 PolarHBondContact O-NE2 3.31Å; H534-Q551 PolarHBondContact CE1-NE2 3.31Å; H534-Q551 WeakPolarHBondContact NE2-CG 3.42Å; H534-Q551 PolarHBondContact NE2-NE2 3.42Å; C549-Q551 PolarHBondContact O-N 3.36Å; C549-Q551 PolarHBondContact SG-N 2.91Å |
| 552 | C | 96.6 | Very high | 94.9 | Very high | 49 Ų | 49 | 46.6 Ų | 46.6 | 33% | 0.331 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | -4.3 | -171.5 | 66.6 | 0 | 0 | 0 | 0 | 115 | H532 T554 | H532-C552 PolarHBondContact CE1-SG 3.39Å; H532-C552 PolarHBondContact ND1-SG 3.07Å; H532-C552 VanDerWaalsContact ND1-SG 3.41Å; C552-T554 PolarHBondContact O-N 3.34Å; C552-T554 VanDerWaalsContact O-N 3.12Å; C552-T554 PolarHBondContact SG-OG1 2.91Å |
| 553 | N | 95.3 | Very high | 94.9 | Very high | 107 Ų | 107 | 49.6 Ų | 49.6 | 57% | 0.572 | 28% | 0.276 | S | S | * | . | trans | 56.9 | 15.6 | -174 | -57.3 | -60.6 | 0 | 0 | 0 | 115.7 | L548 C549 | L548-N553 HydrophobicContact CD1-CB 4.48Å; C549-N553 WeakPolarHBondContact O-CA 3.44Å; C549-N553 PolarHBondContact O-N 3.16Å | ||
| 554 | T | 96.9 | Very high | 94.9 | Very high | 61 Ų | 61 | 51.8 Ų | 51.8 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | trans | -58 | 141 | 165.2 | -57.7 | 0 | 0 | 0 | 0 | 108.9 | Q529 C530 L548 C549 C552 T556 | Q529-T554 HydrophobicContact CB-CG2 4.36Å; C530-T554 HydrophobicContact CB-CG2 4.46Å; L548-T554 CarbonylContact C-O 3.54Å; L548-T554 WeakPolarHBondContact CA-O 3.38Å; C549-T554 PolarHBondContact N-O 3.38Å; C552-T554 PolarHBondContact O-N 3.34Å; C552-T554 VanDerWaalsContact O-N 3.12Å; C552-T554 PolarHBondContact SG-OG1 2.91Å; T554-T556 PolarHBondContact O-N 3.21Å; T554-T556 PolarHBondContact O-OG1 3Å | ||
| 555 | I | 95.4 | Very high | 94.7 | Very high | 132 Ų | 132 | 60.8 Ų | 60.8 | 68% | 0.677 | 31% | 0.314 | S | S | * | . | B | Isolated β-bridge | trans | -59.2 | 134.4 | 175.1 | -60.3 | 173.1 | 0 | 0 | 0 | 108.4 | L548 | L548-I555 HydrophobicContact CD2-CB 4.47Å; L548-I555 HydrophobicContact CD2-CG1 3.88Å |
| 556 | T | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -149.2 | 123.3 | -178.2 | -61.1 | 0 | 0 | 0 | 0 | 108.4 | S527 W539 L543 K547 T554 D560 L561 | S527-T556 WeakPolarHBondContact OG-CG2 3.44Å; W539-T556 HydrophobicContact CH2-CG2 4.06Å; W539-T556 HydrophobicContact CZ3-CG2 3.76Å; L543-T556 VanDerWaalsContact CD2-O 3.25Å; L543-T556 WeakPolarHBondContact CD2-O 3.37Å; K547-T556 CarbonylContact C-O 3.6Å; K547-T556 VanDerWaalsContact C-O 3.29Å; K547-T556 PolarHBondContact O-N 2.88Å; T554-T556 PolarHBondContact O-N 3.21Å; T554-T556 PolarHBondContact O-OG1 3Å; T556-D560 WeakPolarHBondContact CA-OD2 3.13Å; T556-D560 HydrophobicContact CG2-CB 4Å; T556-L561 HydrophobicContact CG2-CD2 4.22Å | ||
| 557 | A | 94.5 | Very high | 94.5 | Very high | 36 Ų | 36 | 60.5 Ų | 60.5 | 30% | 0.298 | 31% | 0.308 | S | S | . | . | trans | -92 | 162.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | G559 D560 | A557-G559 PolarHBondContact O-N 3.27Å; A557-D560 PolarHBondContact N-OD2 3.29Å; A557-D560 WeakPolarHBondContact O-CB 3.43Å; A557-D560 PolarHBondContact O-N 3Å; A557-D560 VanDerWaalsContact O-N 3.12Å | ||
| 558 | P | 94.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -58.6 | -36.3 | 172.6 | -22.2 | 34.8 | 0 | 0 | 0 | 111.4 | Y409 T410 E411 V414 L543 D560 L561 | Y409-P558 WeakPolarHBondContact CB-O 3.31Å; T410-P558 VanDerWaalsContact O-CB 3.31Å; T410-P558 WeakPolarHBondContact O-CB 3.3Å; E411-P558 WeakPolarHBondContact OE1-CD 3.45Å; V414-P558 HydrophobicContact CG2-CB 4.14Å; V414-P558 HydrophobicContact CG2-CG 3.21Å; L543-P558 HydrophobicContact CD1-CB 4.43Å; L543-P558 HydrophobicContact CD1-CG 4.14Å; P558-D560 PolarHBondContact O-N 3.07Å; P558-D560 VanDerWaalsContact O-N 3.1Å; P558-L561 WeakPolarHBondContact O-CB 3.14Å; P558-L561 WeakPolarHBondContact O-CG 3.45Å; P558-L561 PolarHBondContact O-N 2.85Å |
| 559 | G | 94.8 | Very high | 94.4 | Very high | 23 Ų | 23 | 59.3 Ų | 59.3 | 24% | 0.237 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -60.9 | -18.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y409 A557 L561 R562 | Y409-G559 WeakPolarHBondContact O-CA 3.14Å; Y409-G559 PolarHBondContact O-N 2.78Å; A557-G559 PolarHBondContact O-N 3.27Å; G559-L561 VanDerWaalsContact C-N 3.32Å; G559-R562 PolarHBondContact O-NH1 3.31Å |
| 560 | D | 94.8 | Very high | 94.3 | Very high | 25 Ų | 25 | 62.8 Ų | 62.8 | 13% | 0.134 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -80.3 | -11.2 | 174.2 | -63 | -47.2 | 0 | 0 | 0 | 113.1 | I528 Q529 T556 A557 P558 | I528-D560 HydrophobicContact CG1-CB 3.99Å; I528-D560 PolarHBondContact N-O 2.96Å; Q529-D560 HydrophobicContact CG-CB 4.02Å; Q529-D560 VanDerWaalsContact CG-CG 3.46Å; Q529-D560 PolarHBondContact NE2-OD1 2.82Å; T556-D560 WeakPolarHBondContact CA-OD2 3.13Å; T556-D560 HydrophobicContact CG2-CB 4Å; A557-D560 PolarHBondContact N-OD2 3.29Å; A557-D560 WeakPolarHBondContact O-CB 3.43Å; A557-D560 PolarHBondContact O-N 3Å; A557-D560 VanDerWaalsContact O-N 3.12Å; P558-D560 PolarHBondContact O-N 3.07Å; P558-D560 VanDerWaalsContact O-N 3.1Å |
| 561 | L | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 137.2 | -173.8 | -59.4 | -179.9 | 0 | 0 | 0 | 111.7 | Y409 L525 T526 W539 L540 L543 T556 P558 G559 | Y409-L561 HydrophobicContact CD2-CB 3.81Å; Y409-L561 HydrophobicContact CE2-CB 4.39Å; L525-L561 HydrophobicContact CD1-CB 4.21Å; L525-L561 HydrophobicContact CD1-CD1 3.95Å; T526-L561 CarbonylContact O-C 3.6Å; T526-L561 WeakPolarHBondContact O-CA 3.19Å; W539-L561 HydrophobicContact CB-CD1 3.86Å; W539-L561 HydrophobicContact CD2-CD1 4.32Å; W539-L561 HydrophobicContact CD2-CD2 3.59Å; W539-L561 HydrophobicContact CE3-CD1 4.48Å; W539-L561 HydrophobicContact CE3-CD2 3.79Å; W539-L561 HydrophobicContact CG-CD1 4.09Å; W539-L561 HydrophobicContact CG-CD2 4.01Å; W539-L561 HydrophobicContact CH2-CD2 4.22Å; W539-L561 HydrophobicContact CZ2-CD2 4.07Å; W539-L561 HydrophobicContact CZ3-CD2 4.08Å; L540-L561 HydrophobicContact CD2-CD1 4.48Å; L543-L561 HydrophobicContact CD1-CD1 3.8Å; L543-L561 HydrophobicContact CD1-CG 4.38Å; T556-L561 HydrophobicContact CG2-CD2 4.22Å; P558-L561 WeakPolarHBondContact O-CB 3.14Å; P558-L561 WeakPolarHBondContact O-CG 3.45Å; P558-L561 PolarHBondContact O-N 2.85Å; G559-L561 VanDerWaalsContact C-N 3.32Å |
| 562 | R | 95.6 | Very high | 94.2 | Very high | 23 Ų | 23 | 63.3 Ų | 63.3 | 9% | 0.087 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 132.4 | 173.9 | -63.7 | -63.9 | 179.5 | -76 | -3.3 | 110.4 | Y404 G405 L525 T526 I528 G559 | Y404-R562 PolarHBondContact O-NE 3.21Å; G405-R562 PolarHBondContact O-NH2 2.72Å; L525-R562 CarbonylContact C-O 3.56Å; L525-R562 VanDerWaalsContact CA-O 3.3Å; L525-R562 WeakPolarHBondContact CA-O 3.19Å; T526-R562 PolarHBondContact N-O 3.49Å; T526-R562 PolarHBondContact O-N 3.36Å; I528-R562 HydrophobicContact CG2-CG 3.85Å; G559-R562 PolarHBondContact O-NH1 3.31Å |
| 563 | R | 95.6 | Very high | 94.1 | Very high | 96 Ų | 96 | 64.4 Ų | 64.4 | 36% | 0.362 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 135.5 | 169.1 | -70.1 | -179.4 | -176.9 | -77.6 | 1.3 | 109.8 | Y409 M523 L525 E536 | Y409-R563 HydrophobicContact CE2-CG 4.42Å; Y409-R563 PolarHBondContact OH-NE 3.26Å; Y409-R563 PolarHBondContact OH-NH1 3.4Å; Y409-R563 PolarHBondContact OH-NH2 3.27Å; M523-R563 PolarHBondContact SD-NH1 2.98Å; L525-R563 HydrophobicContact CD2-CB 4.11Å; L525-R563 HydrophobicContact CD2-CG 3.42Å; L525-R563 VanDerWaalsContact CD2-CG 3.42Å; E536-R563 IonicContact OE1-CZ 2.65Å; E536-R563 IonicContact OE1-NH1 3.56Å; E536-R563 IonicContact OE1-NH2 3.96Å; E536-R563 PolarHBondContact OE1-NH2 3.45Å; E536-R563 IonicContact OE2-CZ 3.99Å; E536-R563 VanDerWaalsContact OE2-CZ 3.23Å; E536-R563 IonicContact OE2-NH1 3.23Å; E536-R563 PolarHBondContact OE2-NH1 2.88Å; E536-R563 IonicContact OE2-NH2 3.72Å; E536-R563 PolarHBondContact OE2-NH2 3.38Å |
| 564 | I | 94.1 | Very high | 94 | Very high | 47 Ų | 47 | 61.1 Ų | 61.1 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | trans | -124.5 | 170.2 | 173 | 63.9 | 169.8 | 0 | 0 | 0 | 110.4 | P524 T526 V533 L566 | P524-I564 HydrophobicContact CB-CD1 4.42Å; P524-I564 HydrophobicContact CB-CG1 3.91Å; P524-I564 HydrophobicContact CG-CG1 4.15Å; P524-I564 WeakPolarHBondContact O-CG1 3.27Å; P524-I564 PolarHBondContact O-N 3.37Å; T526-I564 HydrophobicContact CG2-CG2 3.67Å; V533-I564 HydrophobicContact CB-CD1 4.45Å; V533-I564 HydrophobicContact CG1-CD1 3.82Å; V533-I564 HydrophobicContact CG2-CD1 3.69Å; I564-L566 HydrophobicContact CD1-CD2 3.79Å; I564-L566 HydrophobicContact CD1-CG 4.13Å; I564-L566 HydrophobicContact CG1-CG 4.45Å | ||
| 565 | Y | 90.8 | Very high | 93.7 | Very high | 219 Ų | 219 | 61.1 Ų | 61.1 | 86% | 0.859 | 30% | 0.299 | S | S | * | . | trans | -122.3 | 134.3 | 174 | -57.3 | -85 | 0 | 0 | 0 | 107.9 | ||||
| 566 | L | 82.3 | Confident | 93.6 | Very high | 131 Ų | 131 | 54.6 Ų | 54.6 | 69% | 0.686 | 27% | 0.265 | S | S | * | . | trans | -121.4 | 0 | -172.3 | -67.7 | 178.9 | 0 | 0 | 0 | 111.5 | Y521 P524 V533 I564 | Y521-L566 HydrophobicContact CD2-CD1 3.48Å; Y521-L566 VanDerWaalsContact CD2-CD1 3.48Å; Y521-L566 HydrophobicContact CE2-CD1 3.91Å; Y521-L566 HydrophobicContact CG-CD1 3.93Å; P524-L566 HydrophobicContact CB-CD1 3.82Å; P524-L566 HydrophobicContact CB-CG 4.33Å; P524-L566 HydrophobicContact CG-CD1 3.92Å; P524-L566 HydrophobicContact CG-CG 4.06Å; V533-L566 HydrophobicContact CG1-CD1 4.29Å; I564-L566 HydrophobicContact CD1-CD2 3.79Å; I564-L566 HydrophobicContact CD1-CG 4.13Å; I564-L566 HydrophobicContact CG1-CG 4.45Å |
Retrieved 566 of 566 residues in 243.1 ms
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